| 1 | M | 38.7 | Very low | 34.6 | Very low | 229 Ų | 229 | 153.4 Ų | 153.4 | 100% | 1.128 | 81% | 0.811 | S | S | * | * | | | | 0 | 113.8 | 0 | -48.9 | 176.4 | 91.5 | 0 | 0 | 105.9 | | |
| 2 | S | 32.9 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | cis | 65.1 | 122.1 | 46.4 | 74.4 | 0 | 0 | 0 | 0 | 113 | | |
| 3 | S | 36.4 | Very low | 34.1 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | cis | -155.6 | 138.2 | -7.8 | -74.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 4 | Q | 40 | Very low | 34.1 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | | 44 | 138.9 | 100 | -61.4 | -169.7 | 4.7 | 0 | 0 | 115.5 | | |
| 5 | T | 34 | Very low | 33.7 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 71% | 0.706 | 82% | 0.823 | S | S | * | * | | | cis | -159.3 | 170.9 | 25.2 | -13.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 6 | R | 31.6 | Very low | 33.7 | Very low | 232 Ų | 232 | 151.3 Ų | 151.3 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | | | cis | -153.6 | 145.7 | 10.6 | -171.9 | 173.6 | -97.9 | -169.3 | -6.4 | 110.8 | | |
| 7 | L | 30.5 | Very low | 33.5 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | | | trans | -97.2 | 159.7 | 175.1 | -75.2 | 130.8 | 0 | 0 | 0 | 112.4 | T9 | L7-T9 HydrophobicContact CD2-CG2 3.82Š|
| 8 | V | 35.9 | Very low | 33.5 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | -133.9 | 123.6 | 135.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 9 | T | 32.6 | Very low | 33.4 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 62% | 0.62 | 82% | 0.815 | S | S | * | * | | | trans | -124.6 | 152.3 | 173 | 44.3 | 0 | 0 | 0 | 0 | 109 | L7 | L7-T9 HydrophobicContact CD2-CG2 3.82Š|
| 10 | N | 35 | Very low | 33.1 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | | | trans | -143.5 | 154.1 | 163.3 | -130.6 | -24.9 | 0 | 0 | 0 | 111.8 | | |
| 11 | H | 33.2 | Very low | 33.2 | Very low | 180 Ų | 180 | 150 Ų | 150 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | | | trans | -89.6 | 156 | -163.2 | -66 | -108.9 | 0 | 0 | 0 | 113.7 | | |
| 12 | G | 33.1 | Very low | 32.7 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -177.5 | 91.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 13 | S | 30 | Very low | 32.7 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -85.3 | 129 | 177.8 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 14 | L | 33.5 | Very low | 32.4 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | trans | -137.3 | 120.1 | 160.1 | -84.2 | 178.4 | 0 | 0 | 0 | 111.4 | | |
| 15 | K | 27.6 | Very low | 32.2 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | | | trans | -76.8 | 146.4 | 152.5 | -67.9 | 176.6 | 175.3 | 178.7 | 0 | 108.1 | | |
| 16 | L | 34 | Very low | 31.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -153 | 167.8 | 143.9 | -110.2 | 166.8 | 0 | 0 | 0 | 109.7 | | |
| 17 | Q | 30.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 66% | 0.659 | 81% | 0.808 | S | S | * | * | | | trans | -90.6 | 157.2 | -155.2 | -67.8 | 178.9 | -59.4 | 0 | 0 | 114.9 | F19 | Q17-F19 HydrophobicContact CB-CD2 4.44Š|
| 18 | P | 33.2 | Very low | 31.8 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -65.8 | 139.9 | 152 | 32 | -33.5 | 0 | 0 | 0 | 109.1 | | |
| 19 | F | 31.1 | Very low | 31.8 | Very low | 180 Ų | 180 | 144 Ų | 144 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -121.1 | 137.6 | 173.6 | -119.5 | -87.7 | 0 | 0 | 0 | 111.9 | Q17 | Q17-F19 HydrophobicContact CB-CD2 4.44Š|
| 20 | I | 28.5 | Very low | 31.7 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | | | trans | -87.7 | 129.5 | -178.8 | -61.3 | 159.7 | 0 | 0 | 0 | 108.5 | | |
| 21 | V | 35.3 | Very low | 31.3 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | -133.8 | 110.7 | 142 | -178.9 | 0 | 0 | 0 | 0 | 107 | | |
| 22 | S | 28.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -91.4 | 132.1 | 162.5 | -55.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 23 | E | 32.4 | Very low | 31.1 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | -143.4 | 135.5 | 152.1 | -157.6 | 157.9 | -128.3 | 0 | 0 | 108.4 | | |
| 24 | A | 30.3 | Very low | 31 | Very low | 91 Ų | 91 | 145.4 Ų | 145.4 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -131.4 | 139.9 | -171 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 25 | V | 34.6 | Very low | 31 | Very low | 148 Ų | 148 | 147 Ų | 147 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -129.1 | 129.1 | 163.7 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 26 | N | 29.1 | Very low | 31 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | -63.8 | 160.6 | -173.7 | -54.1 | -43.9 | 0 | 0 | 0 | 113 | | |
| 27 | L | 31.2 | Very low | 30.8 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | | -164.8 | 100.2 | 120.7 | -106.3 | 166.2 | 0 | 0 | 0 | 113 | | |
| 28 | T | 28.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -159.3 | 134.2 | 169.5 | 43.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 29 | Q | 34.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | cis | -119.2 | 178.5 | -10 | -65.9 | 119.8 | -90.9 | 0 | 0 | 109 | | |
| 30 | D | 32.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | -175.6 | 166.5 | 82.5 | -94.5 | -30.7 | 0 | 0 | 0 | 112.6 | | |
| 31 | C | 26.5 | Very low | 30.4 | Very low | 139 Ų | 139 | 138 Ų | 138 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -111.7 | 138.5 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 32 | G | 30.2 | Very low | 30.2 | Very low | 77 Ų | 77 | 140.9 Ų | 140.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -158.2 | 69.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 33 | L | 31.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | trans | 32.3 | 112 | 149.2 | -66.4 | 166.5 | 0 | 0 | 0 | 121.5 | | |
| 34 | I | 27.7 | Very low | 29.9 | Very low | 142 Ų | 142 | 143 Ų | 143 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | | | | 41.1 | 115.1 | 123.6 | -52 | 171.1 | 0 | 0 | 0 | 118.6 | | |
| 35 | K | 32.3 | Very low | 30.2 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | | -159.3 | 156.5 | 117.9 | -111.3 | 168.8 | -173.3 | 177.8 | 0 | 112.8 | | |
| 36 | T | 28.6 | Very low | 30.1 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | trans | -116.1 | 162.2 | -168.6 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 37 | G | 30 | Very low | 30.1 | Very low | 63 Ų | 63 | 143.7 Ų | 143.7 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | | | trans | 106.3 | 153.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 38 | D | 27.7 | Very low | 30.6 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | cis | -171.1 | 175.6 | -21.3 | -111.5 | -44.7 | 0 | 0 | 0 | 106.6 | | |
| 39 | E | 32.1 | Very low | 31 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | 65.7 | 154.1 | 172.9 | -55.8 | -170.8 | 159.3 | 0 | 0 | 116.9 | | |
| 40 | S | 27.8 | Very low | 31.4 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | | | | -176.1 | 140.1 | -59 | 44 | 0 | 0 | 0 | 0 | 107.1 | | |
| 41 | D | 27.2 | Very low | 31.4 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 55.8 | 129 | 163.9 | -54.6 | -28.2 | 0 | 0 | 0 | 119 | | |
| 42 | F | 30 | Very low | 31.7 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | | | | -171 | 164.8 | 92.1 | -111 | -85 | 0 | 0 | 0 | 113.4 | | |
| 43 | Y | 27.5 | Very low | 31.9 | Very low | 205 Ų | 205 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -78.3 | 166.8 | -166.6 | -105.1 | -97.2 | 0 | 0 | 0 | 116.4 | | |
| 44 | L | 27.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | 79.5 | 131.6 | 151.8 | -71.5 | 160.2 | 0 | 0 | 0 | 121.3 | | |
| 45 | S | 37 | Very low | 32.3 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -71.1 | 148.1 | 147.9 | -37.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 46 | P | 32.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | | | | -153.3 | -177.1 | 82.8 | 40.8 | -21.5 | 0 | 0 | 0 | 116.8 | | |
| 47 | L | 29.9 | Very low | 33.2 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | | | trans | -72.7 | 175.5 | 161 | -114.8 | 68.9 | 0 | 0 | 0 | 111.5 | | |
| 48 | P | 41.4 | Very low | 33.5 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | cis | -139.3 | -167.9 | -5.6 | 39.6 | -18.7 | 0 | 0 | 0 | 116.1 | | |
| 49 | T | 37.7 | Very low | 33.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | -47.2 | 160.4 | 159.9 | 58.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 50 | P | 41.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | | -144.9 | -169.8 | 79.5 | 30.9 | -6.1 | 0 | 0 | 0 | 112.4 | | |
| 51 | L | 32.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | | | cis | -152.6 | 169 | 27.7 | -77 | 164.8 | 0 | 0 | 0 | 107.3 | | |
| 52 | S | 33.9 | Very low | 34.2 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | | | cis | -167.8 | 179.4 | 0.2 | -110.7 | 0 | 0 | 0 | 0 | 106.3 | | |
| 53 | D | 33.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | | | cis | -156.2 | 177.2 | -1.4 | -108.7 | -12.1 | 0 | 0 | 0 | 106.5 | | |
| 54 | E | 35.9 | Very low | 34.4 | Very low | 152 Ų | 152 | 116.5 Ų | 116.5 | 71% | 0.71 | 70% | 0.697 | S | S | * | * | | | cis | -138.5 | -155.2 | 5.6 | -147.5 | -111.2 | 89.2 | 0 | 0 | 109.2 | | |
| 55 | A | 31.5 | Very low | 34.4 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | | | trans | -128.1 | -146.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 56 | P | 41 | Very low | 34 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | | | cis | -119.4 | 176.8 | -13.9 | 34.4 | -13.7 | 0 | 0 | 0 | 111.9 | | |
| 57 | T | 39.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 119 Ų | 119 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | | | cis | -159.4 | 147.5 | 42.4 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 58 | N | 35.9 | Very low | 33.9 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | | | trans | 57.7 | 152.6 | 141.8 | -67.4 | -26.9 | 0 | 0 | 0 | 123.2 | | |
| 59 | N | 33.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 120 Ų | 120 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | | | cis | -165.6 | 169.6 | -44.9 | -122.8 | -46 | 0 | 0 | 0 | 110.4 | | |
| 60 | N | 29.9 | Very low | 33 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | | | trans | -89.9 | 166.8 | -165.9 | -70.5 | -53.1 | 0 | 0 | 0 | 117.3 | | |
| 61 | S | 31.1 | Very low | 32.6 | Very low | 72 Ų | 72 | 122 Ų | 122 | 50% | 0.503 | 67% | 0.669 | S | S | . | * | | | trans | 80.5 | 104.1 | 148.5 | -62.3 | 0 | 0 | 0 | 0 | 122.3 | N905 | S61-N905 PolarHBondContact OG-ND2 2.83Š|
| 62 | I | 35.5 | Very low | 32.5 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 43% | 0.426 | 66% | 0.661 | S | S | . | * | | | | -0.1 | 124.6 | 126.9 | -63.2 | 153.5 | 0 | 0 | 0 | 115.1 | K903 | I62-K903 HydrophobicContact CD1-CG 4.18Å; I62-K903 HydrophobicContact CG1-CG 4.46Å; I62-K903 HydrophobicContact CG2-CB 4.45Å; I62-K903 HydrophobicContact CG2-CD 3.77Å; I62-K903 HydrophobicContact CG2-CG 3.85Å |
| 63 | P | 33.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 67% | 0.668 | S | S | * | * | | | | -135 | -174.6 | 78.6 | 19.6 | 3.9 | 0 | 0 | 0 | 113.3 | | |
| 64 | G | 28.6 | Very low | 32.1 | Very low | 47 Ų | 47 | 119.2 Ų | 119.2 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | | | cis | 148.9 | 91.4 | -8.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 65 | M | 27 | Very low | 32 | Very low | 156 Ų | 156 | 123 Ų | 123 | 77% | 0.768 | 68% | 0.676 | S | S | * | * | | | trans | 77.7 | 119.5 | 160 | -56.1 | -114.9 | -79.7 | 0 | 0 | 117.3 | | |
| 66 | Q | 28.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 125.3 Ų | 125.3 | 62% | 0.621 | 69% | 0.685 | S | S | * | * | | | | 95.4 | 150.3 | 109.2 | -77.9 | 179.3 | -65.7 | 0 | 0 | 112.3 | | |
| 67 | E | 30.5 | Very low | 31.5 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | | | cis | -149.5 | 143 | -1.9 | -117.2 | 162.5 | 169 | 0 | 0 | 109.4 | | |
| 68 | V | 29.9 | Very low | 31.1 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | | | | 60.5 | 129.1 | 95.2 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 69 | F | 29.8 | Very low | 30.8 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 79% | 0.789 | 70% | 0.695 | S | S | * | * | | | | -138.5 | 166.4 | 60.8 | -85.9 | -94.4 | 0 | 0 | 0 | 112.3 | | |
| 70 | E | 30.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 126 Ų | 126 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -135.7 | 172.9 | 17.3 | -75.5 | -164.7 | 156.2 | 0 | 0 | 109.9 | | |
| 71 | K | 33.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 58% | 0.578 | 69% | 0.693 | S | S | * | * | | | cis | -169.5 | 153.5 | -19.6 | -94.9 | 170.7 | -177.9 | 156.6 | 0 | 102.9 | | |
| 72 | L | 29.8 | Very low | 30.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | | | cis | -163.1 | 175.5 | 7.8 | -118.8 | 163.5 | 0 | 0 | 0 | 109.9 | | |
| 73 | A | 31 | Very low | 30.3 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | | | trans | 64.6 | 92.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 74 | S | 28.7 | Very low | 30 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | trans | -59 | 163 | 151.1 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 75 | R | 34.3 | Very low | 30.1 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | | | trans | -22.6 | 144.7 | 163.1 | -58 | 175.1 | 175.4 | -178.3 | -3 | 115.5 | | |
| 76 | P | 28.3 | Very low | 30.1 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | | -143 | 171.4 | 102 | 41.2 | -29.5 | 0 | 0 | 0 | 115.8 | | |
| 77 | H | 32.7 | Very low | 30.4 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.787 | 74% | 0.739 | S | S | * | * | | | trans | -67.3 | 163.7 | 156.7 | -65.4 | -92.1 | 0 | 0 | 0 | 109.7 | | |
| 78 | P | 31.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | cis | -145.5 | -158.9 | 33.6 | 42 | -19 | 0 | 0 | 0 | 116.3 | | |
| 79 | S | 28.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -62 | 170.6 | 166.1 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 80 | P | 35.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -147.7 | -174.8 | 26.6 | 45.6 | -24.9 | 0 | 0 | 0 | 119 | | |
| 81 | I | 25.3 | Very low | 31 | Very low | 152 Ų | 152 | 129 Ų | 129 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | 1.8 | 127.2 | 145.7 | -51 | 162.5 | 0 | 0 | 0 | 118.5 | | |
| 82 | L | 29.2 | Very low | 31 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | | 162.4 | 154.3 | 112.3 | -157.7 | 71.8 | 0 | 0 | 0 | 112.9 | | |
| 83 | A | 28.8 | Very low | 31.3 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 64 | 131.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 84 | A | 28.5 | Very low | 31.3 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | 80.7 | 138.8 | 45 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 85 | T | 29.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | cis | -163 | 160.1 | 14.6 | -15 | 0 | 0 | 0 | 0 | 112.5 | | |
| 86 | L | 28.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | trans | 67.1 | 158.7 | 160.7 | -59.1 | 167.8 | 0 | 0 | 0 | 115.8 | | |
| 87 | T | 33.7 | Very low | 31.5 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | cis | -164.7 | 163.6 | 6.4 | 6.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | K | 32 | Very low | 31.3 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | | | cis | 179.5 | 161.8 | -22.9 | 178.3 | -177.5 | 175.7 | -171.9 | 0 | 108.7 | | |
| 89 | F | 31.6 | Very low | 31.7 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | 88.5 | 130.3 | 162.5 | -75 | -66.5 | 0 | 0 | 0 | 121.5 | | |
| 90 | G | 35.6 | Very low | 32.1 | Very low | 71 Ų | 71 | 127 Ų | 127 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | | | trans | 103.9 | 132.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 91 | S | 35 | Very low | 32 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | cis | 178.3 | 134.4 | -32.8 | 40.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 92 | H | 33.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | | | trans | 55.8 | 126.8 | 162.5 | -80.4 | -76.6 | 0 | 0 | 0 | 117.6 | | |
| 93 | I | 34.6 | Very low | 32.7 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | | | cis | -152.1 | 167.4 | 42.4 | -101.2 | 137.5 | 0 | 0 | 0 | 111.4 | | |
| 94 | D | 30.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | | | trans | -53.6 | 162.2 | -175.4 | -44 | -82.1 | 0 | 0 | 0 | 115.6 | | |
| 95 | V | 34.2 | Very low | 32.9 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | cis | -135.6 | 149.3 | 27.9 | 179.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 96 | C | 30.9 | Very low | 33 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 68% | 0.676 | 70% | 0.702 | S | S | * | * | | | trans | -68.8 | 152.6 | -178.5 | -71 | 0 | 0 | 0 | 0 | 114.3 | | |
| 97 | Q | 31.3 | Very low | 33.1 | Very low | 178 Ų | 178 | 124.1 Ų | 124.1 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | | | cis | 75.2 | 136.9 | 48.8 | -65.9 | -173 | -17.9 | 0 | 0 | 113.2 | | |
| 98 | D | 27.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 122 Ų | 122 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | | | | -138.8 | 179.7 | 76.6 | -128.4 | 20.8 | 0 | 0 | 0 | 112.5 | L326 | D98-L326 WeakPolarHBondContact OD2-CD1 3.47Š|
| 99 | P | 40.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 121 Ų | 121 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | | | cis | -157.1 | 179.1 | 38.6 | 47.8 | -25.8 | 0 | 0 | 0 | 121.3 | | |
| 100 | V | 37.3 | Very low | 32.5 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | | | trans | 65.5 | 118.3 | 155.8 | -164.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 101 | A | 34.4 | Very low | 32 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | | | trans | -165.2 | 147.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 102 | N | 33.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | | | cis | -169.8 | -179.9 | -31.8 | -141.5 | -48 | 0 | 0 | 0 | 112.5 | R329 | N102-R329 PolarHBondContact O-NH2 3.07Š|
| 103 | K | 34.7 | Very low | 31.4 | Very low | 139 Ų | 139 | 121 Ų | 121 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | | | trans | 71.7 | 106.8 | 139.2 | -89.6 | 177.1 | -179.1 | 177.3 | 0 | 123.2 | R329 | K103-R329 VanDerWaalsContact C-NH2 3.27Å; K103-R329 PolarHBondContact O-NH1 3.34Å; K103-R329 PolarHBondContact O-NH2 3.41Å |
| 104 | C | 30.1 | Very low | 31.4 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | | | | 158.1 | 148.8 | 99.9 | -85.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 105 | L | 31.6 | Very low | 31.3 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 64% | 0.644 | 70% | 0.699 | S | S | * | * | | | cis | -173.9 | 132.9 | -26.6 | -107.1 | -171.8 | 0 | 0 | 0 | 108.4 | | |
| 106 | L | 32.1 | Very low | 31 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | | | trans | 62.1 | 158.3 | 148.8 | -50.6 | 174.2 | 0 | 0 | 0 | 118.4 | | |
| 107 | N | 29.1 | Very low | 30.8 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | | | cis | -167.8 | 170.6 | -12.3 | -108.7 | 11.5 | 0 | 0 | 0 | 108.2 | | |
| 108 | S | 29.7 | Very low | 30.6 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 53% | 0.531 | 68% | 0.684 | S | S | . | * | | | cis | -177.7 | -167.1 | -27.9 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 109 | N | 27.2 | Very low | 30.8 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | 85 | 110.8 | 158.9 | -64.9 | 9 | 0 | 0 | 0 | 121.6 | | |
| 110 | T | 28.3 | Very low | 30.1 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | | | trans | 83.1 | 128.5 | 130.4 | 53.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 111 | L | 24.8 | Very low | 30 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | trans | 66.9 | 105.2 | 140.2 | -70.1 | 165.3 | 0 | 0 | 0 | 120.2 | | |
| 112 | H | 30.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | | -168.2 | 167.7 | 97.3 | -105.2 | 82.4 | 0 | 0 | 0 | 114.7 | | |
| 113 | S | 25 | Very low | 29.5 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | -78.5 | 160.3 | 174.2 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 114 | H | 35.1 | Very low | 29.4 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | | | trans | -129.3 | 136.9 | 158 | -111 | -89.2 | 0 | 0 | 0 | 112 | | |
| 115 | N | 29.1 | Very low | 29.5 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | | | trans | -153.5 | 145.1 | 158.1 | -149.6 | -9.8 | 0 | 0 | 0 | 108.8 | | |
| 116 | G | 27.9 | Very low | 29.3 | Very low | 51 Ų | 51 | 143.4 Ų | 143.4 | 53% | 0.526 | 75% | 0.752 | S | S | . | * | | | trans | 85.4 | 150.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 117 | S | 27 | Very low | 29.2 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | cis | -162 | 153.2 | -4.8 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 118 | D | 25.8 | Very low | 29.3 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | 33.1 | 126.7 | 152.7 | -54.1 | -43.3 | 0 | 0 | 0 | 120.6 | | |
| 119 | F | 31.5 | Very low | 29.2 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | | | | -157.2 | 146.9 | 108.1 | -121 | -80.8 | 0 | 0 | 0 | 112.7 | | |
| 120 | S | 27 | Very low | 29.5 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -88.1 | 138.8 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 121 | K | 35.2 | Very low | 29.5 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -160.8 | 127 | 152.2 | -111.9 | 160.7 | -171.4 | 175.3 | 0 | 113.7 | | |
| 122 | R | 30.4 | Very low | 29.7 | Very low | 235 Ų | 235 | 147.5 Ų | 147.5 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | 28 | 101.4 | 157.5 | -78.5 | -178.8 | 166.9 | 158.3 | -4.2 | 120.3 | | |
| 123 | S | 27.9 | Very low | 29.7 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | | 4.8 | 132.3 | 117.8 | 57.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 124 | Q | 32.2 | Very low | 29.7 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | 71.5 | 145.9 | 140.5 | -66.5 | -177.7 | -6 | 0 | 0 | 118.4 | | |
| 125 | V | 30.8 | Very low | 29.5 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 57% | 0.57 | 77% | 0.769 | S | S | * | * | | | cis | -152.5 | 149.3 | -3.3 | 104.9 | 0 | 0 | 0 | 0 | 111 | L127 | V125-L127 HydrophobicContact CG2-CG 4.39Š|
| 126 | Y | 27.5 | Very low | 29.6 | Very low | 226 Ų | 226 | 142.9 Ų | 142.9 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | | | trans | -153.5 | 152.5 | 131.5 | -126.9 | -87.8 | 0 | 0 | 0 | 109.9 | | |
| 127 | L | 30.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -125.6 | 147.5 | -164.2 | -69.6 | 157.4 | 0 | 0 | 0 | 111.3 | V125 | V125-L127 HydrophobicContact CG2-CG 4.39Š|
| 128 | K | 30.4 | Very low | 30 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | | -176.2 | 118.5 | 112.8 | -98.1 | -162.3 | -170.9 | -151.6 | 0 | 112.6 | Q130 | K128-Q130 HydrophobicContact CG-CG 4.48Š|
| 129 | S | 28.6 | Very low | 30 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | | -136.1 | 121.4 | 125.1 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 130 | Q | 32.3 | Very low | 30 | Very low | 100 Ų | 100 | 150 Ų | 150 | 47% | 0.467 | 79% | 0.785 | S | S | . | * | | | trans | -108.6 | 138.5 | -179.7 | -75.5 | -179.8 | -72.2 | 0 | 0 | 109.6 | K128 E132 | K128-Q130 HydrophobicContact CG-CG 4.48Å; Q130-E132 HydrophobicContact CB-CG 4.31Å; Q130-E132 VanDerWaalsContact NE2-CD 3.33Å; Q130-E132 PolarHBondContact NE2-OE1 2.73Å |
| 131 | V | 29.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | -122 | 101.1 | 147.3 | 177.4 | 0 | 0 | 0 | 0 | 105 | | |
| 132 | E | 28.3 | Very low | 29.5 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 65% | 0.654 | 78% | 0.782 | S | S | * | * | | | trans | -85.7 | 128.5 | 176.2 | -69.1 | 176 | 150.8 | 0 | 0 | 109.9 | Q130 | Q130-E132 HydrophobicContact CB-CG 4.31Å; Q130-E132 VanDerWaalsContact NE2-CD 3.33Å; Q130-E132 PolarHBondContact NE2-OE1 2.73Å |
| 133 | I | 31.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -141.5 | 108.9 | 138.2 | -54.1 | -178.2 | 0 | 0 | 0 | 107 | | |
| 134 | S | 25.8 | Very low | 30 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -161 | 108.4 | 171.3 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 135 | S | 29.8 | Very low | 29.9 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -171.8 | 117.2 | 156.7 | 41.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 136 | S | 32.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | | | trans | -172 | 94.5 | 156 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 137 | F | 27.9 | Very low | 30.7 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -84.6 | 145.4 | 159.8 | -105.6 | -99.1 | 0 | 0 | 0 | 108.5 | | |
| 138 | I | 35.6 | Very low | 30.7 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | | | trans | -162.3 | 123.4 | 147.8 | -100.1 | 149.4 | 0 | 0 | 0 | 106.3 | | |
| 139 | D | 25.3 | Very low | 30.8 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -77.5 | 148.2 | 164.4 | -90.7 | -64.2 | 0 | 0 | 0 | 109.7 | | |
| 140 | L | 30.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -161.9 | 135.7 | 145.2 | -111.3 | 164.3 | 0 | 0 | 0 | 110.7 | | |
| 141 | K | 26.5 | Very low | 30.9 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | | | trans | -86.5 | 150.9 | 165 | -58.4 | 174.1 | -178.1 | 173.6 | 0 | 108.5 | | |
| 142 | D | 26.7 | Very low | 31 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | | 165.2 | 130.5 | 113.2 | -81.4 | -21.8 | 0 | 0 | 0 | 112.5 | | |
| 143 | F | 31.3 | Very low | 31.1 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | -94.1 | 154.8 | 153.5 | -90.9 | -84 | 0 | 0 | 0 | 106.3 | | |
| 144 | P | 36.6 | Very low | 31 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | | -155.4 | 176 | 54.5 | 42.7 | -22.4 | 0 | 0 | 0 | 117.7 | | |
| 145 | S | 30.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | | 176.7 | 145.4 | 117.5 | 42.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 146 | S | 34.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -156.4 | 155.1 | 169.9 | 60.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 147 | P | 40 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | trans | -134.3 | 127.1 | 167.4 | 32.5 | -15.1 | 0 | 0 | 0 | 115.1 | | |
| 148 | L | 30.8 | Very low | 31.3 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | | 66.2 | 144.1 | 129.4 | -61.8 | 170.7 | 0 | 0 | 0 | 119.8 | | |
| 149 | S | 31.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | cis | -166 | 155 | -8.9 | -176 | 0 | 0 | 0 | 0 | 111.7 | | |
| 150 | G | 30 | Very low | 31 | Very low | 73 Ų | 73 | 142.4 Ų | 142.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 85.9 | 147.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 151 | A | 33.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | cis | -155.9 | 178.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 152 | F | 30.9 | Very low | 32.1 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | | | trans | -59.4 | 137 | -166.6 | -79 | -103.8 | 0 | 0 | 0 | 118.5 | | |
| 153 | A | 30.5 | Very low | 32.3 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | | 54.5 | 147.6 | 122 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 154 | D | 30.5 | Very low | 32.4 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 86.5 | 114.3 | 148.4 | -67.9 | -9.8 | 0 | 0 | 0 | 124.8 | | |
| 155 | F | 29.2 | Very low | 32.4 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | 52 | 106.7 | 138.1 | -76.2 | -89.1 | 0 | 0 | 0 | 123.7 | | |
| 156 | Q | 31.7 | Very low | 32.4 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | | | | 66.9 | 121 | 123.9 | -81.9 | -167.1 | 24.6 | 0 | 0 | 122.6 | | |
| 157 | S | 30.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | | 97.7 | 103.8 | 126.1 | -65.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 158 | L | 29.9 | Very low | 32 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 86% | 0.859 | 71% | 0.713 | S | S | * | * | | | trans | 93.6 | 161.6 | 135.9 | -63 | 171.5 | 0 | 0 | 0 | 120.9 | | |
| 159 | R | 27.1 | Very low | 32.3 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | | | trans | -80 | 173.9 | -165 | -44.1 | 177.3 | -171.8 | -175.9 | 5.1 | 111.5 | | |
| 160 | Y | 28.2 | Very low | 32.5 | Very low | 190 Ų | 190 | 124.4 Ų | 124.4 | 75% | 0.745 | 71% | 0.707 | S | S | * | * | | | cis | -156.7 | 174.1 | 29.2 | -122.3 | -71.8 | 0 | 0 | 0 | 112.3 | | |
| 161 | V | 41.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | trans | -103.9 | 148.2 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 162 | P | 38 | Very low | 32.6 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | | | trans | -132.6 | 132.7 | 146.9 | 15.9 | 6.7 | 0 | 0 | 0 | 114.3 | | |
| 163 | L | 31.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 124.4 Ų | 124.4 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | | 94.9 | 153.8 | 83.2 | -71.2 | 178.1 | 0 | 0 | 0 | 113.7 | | |
| 164 | S | 32.1 | Very low | 32.6 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | cis | 178.8 | -163 | -29.9 | -96.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 165 | L | 37.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | | | trans | 90.3 | 152.3 | 158.5 | -52.3 | 124.6 | 0 | 0 | 0 | 116.7 | N429 | L165-N429 VanDerWaalsContact CD2-O 3.29Å; L165-N429 WeakPolarHBondContact CD2-O 3.43Å |
| 166 | D | 30.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | | | cis | -148.9 | 175.5 | 13.1 | -161.5 | 19.9 | 0 | 0 | 0 | 109.9 | Q430 | D166-Q430 CarbonylContact C-O 3.35Å; D166-Q430 WeakPolarHBondContact CA-O 3.14Å; D166-Q430 PolarHBondContact OD1-N 3.4Å |
| 167 | C | 31.8 | Very low | 32.3 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 43% | 0.426 | 71% | 0.711 | S | S | . | * | | | cis | -165.9 | 168.5 | 3 | -143.2 | 0 | 0 | 0 | 0 | 108 | Q430 V431 | C167-Q430 PolarHBondContact N-O 3.48Å; C167-V431 VanDerWaalsContact C-CB 3.49Å; C167-V431 WeakPolarHBondContact O-CG1 3.46Å |
| 168 | S | 34.9 | Very low | 32.2 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 43% | 0.427 | 71% | 0.711 | S | S | . | * | | | cis | -165.3 | 157 | -13.5 | 26.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 169 | S | 37.6 | Very low | 32 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | | | trans | 74.7 | 148 | 152.9 | 73.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 170 | S | 35.1 | Very low | 32.3 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | | | cis | -155.9 | -174.6 | 1.4 | 53.6 | 0 | 0 | 0 | 0 | 114 | | |
| 171 | A | 32.6 | Very low | 32.3 | Very low | 102 Ų | 102 | 112.2 Ų | 112.2 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | | | trans | -144.3 | 176.6 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 172 | S | 33.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | | | trans | -167.6 | 167.4 | 162.7 | 60.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 173 | I | 33.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 115.4 Ų | 115.4 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | | | trans | -141.5 | 132 | 177.8 | -69.2 | 177.8 | 0 | 0 | 0 | 112 | | |
| 174 | S | 29.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 116 Ų | 116 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | | | trans | 71.5 | 165.4 | 158.3 | 76.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 175 | L | 31.1 | Very low | 31.3 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | | | trans | 78.2 | 98.4 | 173 | -96.3 | 72.9 | 0 | 0 | 0 | 121 | | |
| 176 | S | 26.8 | Very low | 31.2 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | | | | 46.7 | 112.7 | 118.8 | 66.7 | 0 | 0 | 0 | 0 | 123 | | |
| 177 | T | 26.7 | Very low | 31.3 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | | | | 74 | 144.7 | 122.4 | -39 | 0 | 0 | 0 | 0 | 121.2 | | |
| 178 | A | 27.6 | Very low | 31.4 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | 89.9 | 107.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 179 | N | 26.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 64.2 | 116.2 | 127.2 | -54.8 | -1 | 0 | 0 | 0 | 122.3 | | |
| 180 | S | 33 | Very low | 31.2 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | | -157.6 | 134.7 | 114 | -142.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 181 | V | 27.4 | Very low | 31 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | | | cis | 71 | 102.7 | 30.4 | -165.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 182 | L | 33.5 | Very low | 30.7 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 158.8 | 105.4 | 135.8 | -101.4 | 106.5 | 0 | 0 | 0 | 106.7 | | |
| 183 | D | 27.8 | Very low | 31.1 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | cis | 101.2 | 162.2 | 32.1 | -165.1 | 23.1 | 0 | 0 | 0 | 112.8 | | |
| 184 | Q | 32.1 | Very low | 30.9 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | trans | 84.8 | 126 | -166.1 | -56.6 | 177.8 | 14.6 | 0 | 0 | 115.1 | | |
| 185 | C | 29.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 133 Ų | 133 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | | | cis | -143.2 | 161.7 | -17.3 | -77.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 186 | V | 35.1 | Very low | 30.7 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | | -159.2 | 135 | 53.5 | 166.8 | 0 | 0 | 0 | 0 | 109 | | |
| 187 | D | 32.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | 44 | 136 | 156.9 | -44.3 | -14.6 | 0 | 0 | 0 | 120.2 | | |
| 188 | E | 33.2 | Very low | 30.9 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | cis | -159.9 | 153.7 | -1.7 | -128.4 | -180 | 170.8 | 0 | 0 | 111 | | |
| 189 | S | 34.9 | Very low | 31.6 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | | | trans | 15.7 | 149 | 150.6 | 62.3 | 0 | 0 | 0 | 0 | 123 | | |
| 190 | D | 33.6 | Very low | 32.6 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | cis | -170.4 | 160.1 | -9.5 | -122.8 | -55.5 | 0 | 0 | 0 | 113.8 | | |
| 191 | C | 31.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | 54.5 | 160.6 | 149.3 | -74.8 | 0 | 0 | 0 | 0 | 125.5 | | |
| 192 | L | 26.5 | Very low | 32.7 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | -109.1 | -177.4 | -177.9 | -68.7 | 167 | 0 | 0 | 0 | 110.8 | | |
| 193 | P | 41.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | cis | -132.8 | -159.9 | -28.2 | 23.6 | 1.7 | 0 | 0 | 0 | 112.6 | | |
| 194 | V | 28.8 | Very low | 33.3 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 94 | 116.8 | 153.6 | -168.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 195 | Y | 27.7 | Very low | 33.6 | Very low | 215 Ų | 215 | 134.7 Ų | 134.7 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | 66.1 | 163.1 | 162.6 | -94.4 | -114.4 | 0 | 0 | 0 | 120 | | |
| 196 | S | 27.6 | Very low | 33.9 | Very low | 86 Ų | 86 | 137 Ų | 137 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | | | trans | -24.2 | 132.9 | 172.9 | 50.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 197 | N | 27.8 | Very low | 33.9 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | | -170.5 | 171.4 | 108.5 | -90.6 | -28.1 | 0 | 0 | 0 | 112.2 | | |
| 198 | C | 31.1 | Very low | 33.8 | Very low | 117 Ų | 117 | 136 Ų | 136 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -82.8 | -125.6 | 150.5 | -52.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 199 | P | 42.4 | Very low | 33.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | | | | -99.6 | -106.7 | -66.1 | 18.9 | 3.3 | 0 | 0 | 0 | 107.1 | | |
| 200 | P | 46.7 | Very low | 33.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | | | cis | -133.3 | 162 | -40.3 | 33.2 | -14.3 | 0 | 0 | 0 | 117 | | |
| 201 | N | 29.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | | | trans | 65.5 | 170.4 | 140.4 | -67.5 | 30.9 | 0 | 0 | 0 | 117.9 | E203 | N201-E203 PolarHBondContact ND2-OE1 2.75Š|
| 202 | L | 34.1 | Very low | 34.5 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | | | cis | -133.9 | 153.6 | 17.5 | -58.7 | 145.7 | 0 | 0 | 0 | 111.9 | | |
| 203 | E | 33.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 58% | 0.575 | 74% | 0.739 | S | S | * | * | | | cis | -126.8 | -105.6 | -4.5 | -164 | 72.9 | -69.5 | 0 | 0 | 114.9 | N201 | N201-E203 PolarHBondContact ND2-OE1 2.75Š|
| 204 | E | 39.4 | Very low | 34.5 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | | | cis | -142.6 | 169.7 | 13 | -64.8 | -178.3 | 100.3 | 0 | 0 | 112.4 | | |
| 205 | E | 37.6 | Very low | 34.7 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | | | trans | -80.4 | 159.1 | -175.2 | -67.3 | -177.7 | 148.3 | 0 | 0 | 113.6 | | |
| 206 | E | 37.3 | Very low | 35 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | | | cis | -157.3 | 160.1 | -0.3 | -130 | -153 | 117.3 | 0 | 0 | 112.5 | | |
| 207 | S | 34.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | | | trans | 17.2 | 133.1 | 148.7 | -50.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 208 | D | 30.4 | Very low | 35.5 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | | | cis | -149.7 | -101.8 | -8.8 | 177.4 | 21 | 0 | 0 | 0 | 111.4 | | |
| 209 | L | 34.2 | Very low | 35.6 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | | | cis | -158.7 | 80.8 | -2.9 | -150.4 | 175.4 | 0 | 0 | 0 | 113.6 | | |
| 210 | V | 34.7 | Very low | 35.2 | Very low | 122 Ų | 122 | 125 Ų | 125 | 74% | 0.739 | 67% | 0.669 | S | S | * | * | | | trans | 67.8 | 143.7 | 154.3 | 179 | 0 | 0 | 0 | 0 | 121.8 | | |
| 211 | P | 45.1 | Very low | 34.6 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | trans | -134.2 | -166.3 | -164.3 | 45.6 | -26.9 | 0 | 0 | 0 | 116.9 | | |
| 212 | S | 35.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | | | trans | -159.8 | 111.8 | 153.6 | -71.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 213 | E | 33.8 | Very low | 34.6 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | | | | 92.6 | 136.5 | 93.8 | -69.6 | -128.2 | 122.2 | 0 | 0 | 114.6 | | |
| 214 | L | 33.1 | Very low | 34.5 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | | | cis | -169.2 | 138.9 | -25.1 | -137.7 | 80.8 | 0 | 0 | 0 | 109.5 | | |
| 215 | V | 34 | Very low | 34.1 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 37% | 0.37 | 67% | 0.672 | S | S | . | * | | | | 63.7 | 122.8 | 125.2 | 151.3 | 0 | 0 | 0 | 0 | 122.2 | P1009 N1010 | V215-P1009 CarbonylContact C-O 2.91Å; V215-P1009 WeakPolarHBondContact CA-O 3.29Å; V215-P1009 WeakPolarHBondContact CB-O 3.31Å; V215-P1009 HydrophobicContact CG2-CB 4.11Å; V215-P1009 VanDerWaalsContact CG2-O 3.31Å; V215-P1009 WeakPolarHBondContact CG2-O 3.33Å; V215-N1010 CarbonylContact C-O 3.33Å; V215-N1010 HydrophobicContact CB-CB 4.28Å; V215-N1010 VanDerWaalsContact CG1-C 3.47Å; V215-N1010 HydrophobicContact CG1-CB 3.76Å; V215-N1010 WeakPolarHBondContact CG1-O 3.17Å; V215-N1010 HydrophobicContact CG2-CB 3.71Å |
| 216 | Q | 33.9 | Very low | 34.1 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 42% | 0.416 | 66% | 0.663 | S | S | . | * | | | cis | 112.8 | -163.7 | 4.8 | 46 | 80.2 | -122.5 | 0 | 0 | 122.9 | L1008 P1009 N1010 | Q216-L1008 VanDerWaalsContact NE2-C 3.25Å; Q216-P1009 CarbonylContact C-O 3.3Å; Q216-P1009 WeakPolarHBondContact CA-O 3.26Å; Q216-P1009 VanDerWaalsContact CB-C 3.45Å; Q216-P1009 WeakPolarHBondContact CB-O 3.41Å; Q216-P1009 HydrophobicContact CG-CB 3.89Å; Q216-P1009 HydrophobicContact CG-CG 3.68Å; Q216-P1009 WeakPolarHBondContact CG-O 3.35Å; Q216-P1009 PolarHBondContact N-O 3.15Å; Q216-P1009 VanDerWaalsContact N-O 3.15Å; Q216-P1009 PolarHBondContact OE1-O 3.38Å; Q216-N1010 CarbonylContact C-O 3.53Å; Q216-N1010 VanDerWaalsContact CA-O 3.31Å; Q216-N1010 WeakPolarHBondContact CA-O 3.46Å; Q216-N1010 PolarHBondContact N-O 3.41Å; Q216-N1010 CarbonylContact O-C 3.58Å |
| 217 | F | 30.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 46% | 0.461 | 65% | 0.654 | S | S | . | * | | | trans | 57.8 | 162.5 | -176.5 | -98.5 | -146.8 | 0 | 0 | 0 | 120 | L1008 P1009 N1010 T1011 | F217-L1008 VanDerWaalsContact CA-O 3.27Å; F217-L1008 WeakPolarHBondContact CA-O 3.29Å; F217-L1008 VanDerWaalsContact CD2-O 3.27Å; F217-L1008 WeakPolarHBondContact CD2-O 3.16Å; F217-L1008 PolarHBondContact N-O 3.28Å; F217-P1009 VanDerWaalsContact CD2-C 3.47Å; F217-P1009 VanDerWaalsContact CD2-CA 3.49Å; F217-N1010 VanDerWaalsContact CB-N 3.26Å; F217-N1010 WeakPolarHBondContact CZ-OD1 3.48Å; F217-T1011 HydrophobicContact CB-CG2 4.06Å; F217-T1011 HydrophobicContact CD1-CG2 3.2Å; F217-T1011 HydrophobicContact CE1-CG2 3.8Å; F217-T1011 HydrophobicContact CG-CG2 3.89Å |
| 218 | V | 34.9 | Very low | 33.6 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 56% | 0.564 | 66% | 0.655 | S | S | * | * | | | cis | -179.3 | 158.7 | -23 | 116 | 0 | 0 | 0 | 0 | 107.2 | | |
| 219 | S | 33.5 | Very low | 33.6 | Very low | 69 Ų | 69 | 121 Ų | 121 | 48% | 0.483 | 66% | 0.657 | S | S | . | * | | | cis | -161 | 176.8 | -15.9 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 220 | E | 34.2 | Very low | 33.4 | Very low | 170 Ų | 170 | 119.4 Ų | 119.4 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | | | trans | 59 | 148.6 | 149.1 | -74.4 | 158.5 | 105.7 | 0 | 0 | 121.2 | | |
| 221 | S | 33.9 | Very low | 33.4 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | | | cis | -157.3 | 154.2 | 6 | -132.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 222 | T | 31.6 | Very low | 32.6 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | | | trans | 60.5 | 137.3 | 159.2 | 57.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 223 | R | 31.4 | Very low | 32.3 | Very low | 207 Ų | 207 | 122.4 Ų | 122.4 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | | | cis | -169.8 | 144.9 | 39 | -124.2 | 168 | -161.7 | -148.3 | 7.3 | 111.2 | | |
| 224 | Q | 31.4 | Very low | 32.2 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | | | trans | 58.5 | 153.8 | 146.3 | -68.1 | 165.6 | -53.7 | 0 | 0 | 121.1 | | |
| 225 | I | 31.3 | Very low | 32 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 68% | 0.677 | 67% | 0.669 | S | S | * | * | | | cis | 175.3 | 152.8 | -30.2 | -116.2 | 170.6 | 0 | 0 | 0 | 107.3 | | |
| 226 | P | 37 | Very low | 31.8 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 66% | 0.656 | 69% | 0.687 | S | S | * | * | | | | -127 | -156.1 | -66.5 | 35.8 | -10.9 | 0 | 0 | 0 | 112.3 | | |
| 227 | S | 31.7 | Very low | 31.6 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | | | trans | 31.2 | 146.9 | 140.4 | -69.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 228 | D | 29.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | cis | -172.8 | -168 | -4.7 | -116.5 | -66.3 | 0 | 0 | 0 | 108.1 | | |
| 229 | L | 31.1 | Very low | 31.5 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | cis | -154.3 | -171.5 | 3.6 | -133.6 | -175.6 | 0 | 0 | 0 | 109.4 | | |
| 230 | V | 31 | Very low | 31.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | | | trans | -109.5 | 156.1 | 161.5 | 172.4 | 0 | 0 | 0 | 0 | 109.4 | V232 | V230-V232 HydrophobicContact CG1-CG2 4.24Š|
| 231 | D | 33 | Very low | 31.3 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | | | trans | -139.9 | 143 | 175.6 | -147.5 | -12.5 | 0 | 0 | 0 | 113.1 | | |
| 232 | V | 29 | Very low | 31.2 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | | | trans | -147.5 | 120 | -163 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | V230 | V230-V232 HydrophobicContact CG1-CG2 4.24Š|
| 233 | V | 29.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | 55.8 | 122.4 | 155.6 | 176.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 234 | S | 31.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | | -176.2 | 175.7 | 105.7 | -151.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 235 | A | 28.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | | | trans | -101.7 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 236 | G | 30 | Very low | 31 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | 179.5 | 73.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 237 | D | 29.2 | Very low | 30.6 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | | | trans | -73.1 | 129.5 | 160.7 | -82.9 | -53.6 | 0 | 0 | 0 | 109.3 | | |
| 238 | S | 33.9 | Very low | 30.5 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | trans | -152.2 | 117.9 | 163.5 | 44 | 0 | 0 | 0 | 0 | 109.6 | I240 | S238-I240 PolarHBondContact O-N 2.96Š|
| 239 | D | 30.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -69.4 | 119.1 | 165.8 | -75.8 | -70.6 | 0 | 0 | 0 | 108 | | |
| 240 | I | 34.3 | Very low | 30.2 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -117.6 | 139 | 169 | -63.4 | -179 | 0 | 0 | 0 | 107.8 | S238 | S238-I240 PolarHBondContact O-N 2.96Š|
| 241 | E | 28.5 | Very low | 30.1 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -70.9 | 126.4 | -175.2 | -57.3 | 179.2 | 130.3 | 0 | 0 | 111 | I243 | E241-I243 HydrophobicContact CB-CG1 4.26Å; E241-I243 PolarHBondContact O-N 3.03Å |
| 242 | D | 31.3 | Very low | 30.1 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -69.8 | 79.8 | 165.4 | -81.1 | -47.6 | 0 | 0 | 0 | 109 | | |
| 243 | I | 33.6 | Very low | 30.1 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | | | trans | -65.7 | 140.4 | 169.8 | -66.1 | 173.9 | 0 | 0 | 0 | 109.2 | E241 H245 | E241-I243 HydrophobicContact CB-CG1 4.26Å; E241-I243 PolarHBondContact O-N 3.03Å; I243-H245 PolarHBondContact O-N 2.83Å; I243-H245 VanDerWaalsContact O-N 3.1Å |
| 244 | D | 29 | Very low | 29.9 | Very low | 152 Ų | 152 | 142 Ų | 142 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -56.7 | 113.2 | -177.5 | -77.1 | -62.8 | 0 | 0 | 0 | 112.9 | E246 | D244-E246 PolarHBondContact O-N 3.1Š|
| 245 | H | 30.8 | Very low | 30 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -85.2 | 52.5 | 178.9 | -126.2 | -36.7 | 0 | 0 | 0 | 112.8 | I243 A247 | I243-H245 PolarHBondContact O-N 2.83Å; I243-H245 VanDerWaalsContact O-N 3.1Å; H245-A247 VanDerWaalsContact C-N 3.29Å; H245-A247 PolarHBondContact O-N 2.86Å |
| 246 | E | 29.4 | Very low | 30.1 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | trans | -72 | 78.7 | 165.8 | -79.6 | -147.6 | 140.6 | 0 | 0 | 111.2 | D244 | D244-E246 PolarHBondContact O-N 3.1Š|
| 247 | A | 28.1 | Very low | 30 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 60% | 0.595 | 80% | 0.803 | S | S | * | * | | | trans | -165 | 72.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H245 | H245-A247 VanDerWaalsContact C-N 3.29Å; H245-A247 PolarHBondContact O-N 2.86Å |
| 248 | R | 28.8 | Very low | 29.9 | Very low | 245 Ų | 245 | 151.8 Ų | 151.8 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 175.4 | 98.4 | 148.4 | -99.2 | 154 | -173.1 | -146 | 0.4 | 113.2 | | |
| 249 | L | 28.8 | Very low | 29.6 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | 176.7 | 75.1 | 135.3 | -98.3 | 170.6 | 0 | 0 | 0 | 109.8 | | |
| 250 | A | 25.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | -135.5 | 53.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 251 | S | 30.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -163.1 | 76.2 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 252 | L | 31.7 | Very low | 29.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -154.1 | 123.9 | 156.6 | -115.6 | 165.4 | 0 | 0 | 0 | 108.8 | | |
| 253 | C | 29.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -83.2 | 151.9 | -164.2 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | P255 | C253-P255 WeakPolarHBondContact O-CD 3.44Š|
| 254 | I | 26.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | | | trans | -62.6 | 139.6 | 159.4 | -62.7 | 162.5 | 0 | 0 | 0 | 108.8 | I256 | I254-I256 HydrophobicContact CG2-CD1 4.24Å; I254-I256 HydrophobicContact CG2-CG1 3.43Å; I254-I256 VanDerWaalsContact CG2-CG1 3.43Å |
| 255 | P | 33.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -124.3 | 129 | 132.1 | 34.1 | -28.4 | 0 | 0 | 0 | 111.3 | C253 | C253-P255 WeakPolarHBondContact O-CD 3.44Š|
| 256 | I | 29 | Very low | 29.3 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -94 | 157.6 | 167.4 | -37.9 | -176.4 | 0 | 0 | 0 | 107.8 | I254 | I254-I256 HydrophobicContact CG2-CD1 4.24Å; I254-I256 HydrophobicContact CG2-CG1 3.43Å; I254-I256 VanDerWaalsContact CG2-CG1 3.43Å |
| 257 | L | 28.2 | Very low | 29.4 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | 72.3 | 95.9 | 168.2 | -50.1 | 178.3 | 0 | 0 | 0 | 116.7 | | |
| 258 | R | 27.4 | Very low | 29.5 | Very low | 248 Ų | 248 | 144.4 Ų | 144.4 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | | -166.3 | 115.2 | 109.5 | -108.6 | 170.9 | 174.7 | 155.2 | -1.4 | 113 | | |
| 259 | S | 27.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -104.1 | 149.9 | 138.1 | 50.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 260 | P | 33.5 | Very low | 29.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | | | | -133.7 | 164.4 | 115.2 | 37.3 | -28.9 | 0 | 0 | 0 | 112.7 | | |
| 261 | S | 27.4 | Very low | 29.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -114.7 | 162.9 | -176.9 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 262 | L | 30.4 | Very low | 30 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | | 165 | 159.6 | 123.3 | -90.8 | 160.9 | 0 | 0 | 0 | 115 | | |
| 263 | G | 29.3 | Very low | 30.4 | Very low | 51 Ų | 51 | 136.5 Ų | 136.5 | 53% | 0.526 | 76% | 0.763 | S | S | . | * | | | trans | 98.8 | 136.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 264 | H | 30.4 | Very low | 30.9 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | | | cis | -153.5 | 146.8 | -10.4 | -78.9 | -69.3 | 0 | 0 | 0 | 108.1 | | |
| 265 | S | 30.2 | Very low | 31.2 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | cis | 106.5 | 100.8 | 11 | 80.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 266 | H | 30.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | trans | -127.3 | 121.1 | 160.7 | -94.6 | -112.2 | 0 | 0 | 0 | 107 | | |
| 267 | L | 30.3 | Very low | 31 | Very low | 141 Ų | 141 | 133 Ų | 133 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | | 67.5 | 117.5 | 81.7 | -68.9 | -179.1 | 0 | 0 | 0 | 111.8 | | |
| 268 | L | 32 | Very low | 31.6 | Very low | 145 Ų | 145 | 131 Ų | 131 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | cis | -128.5 | -163 | 9.8 | -93.9 | 167.7 | 0 | 0 | 0 | 110.3 | | |
| 269 | D | 29.9 | Very low | 31.7 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | cis | -153.8 | -143.3 | 15.9 | -158 | 67 | 0 | 0 | 0 | 113.6 | | |
| 270 | N | 30.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | trans | -106.2 | 164.3 | -164.9 | -64.3 | -70.5 | 0 | 0 | 0 | 112.9 | | |
| 271 | A | 31.2 | Very low | 31.8 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | cis | -156.6 | -170.2 | -10.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 272 | Q | 30.9 | Very low | 31.8 | Very low | 190 Ų | 190 | 126.2 Ų | 126.2 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | | | trans | -91.5 | 149.3 | -160.9 | -64.2 | 176.8 | -98.3 | 0 | 0 | 117.6 | | |
| 273 | P | 40.1 | Very low | 31.8 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 62% | 0.623 | 74% | 0.743 | S | S | * | * | | | trans | -97.1 | -161.2 | 171.3 | 43.5 | -39.1 | 0 | 0 | 0 | 111.9 | | |
| 274 | P | 40.9 | Very low | 32.5 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 54% | 0.539 | 76% | 0.755 | S | S | . | * | | | cis | -146.4 | -146.9 | 9.4 | 44.9 | -21.2 | 0 | 0 | 0 | 116.7 | | |
| 275 | T | 31.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | 74.1 | 160 | 161.3 | 35 | 0 | 0 | 0 | 0 | 119.3 | | |
| 276 | L | 30.7 | Very low | 32.8 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | cis | -145.4 | -154.5 | 7.7 | -134.6 | 175.4 | 0 | 0 | 0 | 112.6 | | |
| 277 | S | 27.7 | Very low | 33.6 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | -152 | 173 | -174.1 | 7.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 278 | P | 42 | Very low | 33.6 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | cis | -139.6 | -170.3 | -19.1 | 39.7 | -19.2 | 0 | 0 | 0 | 116 | | |
| 279 | E | 29.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | | | trans | 73.2 | 102.7 | 154.8 | -58.3 | -151.1 | 138 | 0 | 0 | 125.3 | | |
| 280 | S | 31.3 | Very low | 33.5 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | | 102.2 | 123 | 118.6 | 78.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 281 | S | 30.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 88% | 0.881 | 75% | 0.752 | S | S | * | * | | | trans | 80.7 | 137.1 | 145.7 | 78.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 282 | G | 29 | Very low | 33.3 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | | | trans | 130.4 | 82.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 283 | C | 30.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | | | trans | -124.9 | 153.2 | 172.2 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 284 | P | 42.7 | Very low | 32.8 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | -121.3 | 122.8 | 166.8 | 35.3 | -22.4 | 0 | 0 | 0 | 115.5 | | |
| 285 | H | 33 | Very low | 32.4 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | 10.3 | 135.3 | 142.5 | -64.3 | -74.3 | 0 | 0 | 0 | 120.9 | | |
| 286 | S | 33.9 | Very low | 32.4 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | cis | 86 | 134.9 | 37.2 | 82.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 287 | P | 46.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -125.6 | 126.6 | 168.1 | 24.3 | -3.4 | 0 | 0 | 0 | 116 | | |
| 288 | F | 31.3 | Very low | 33 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | 61.5 | 147.8 | 155 | -59.3 | -71.1 | 0 | 0 | 0 | 119.1 | H290 | F288-H290 AromaticContact CD1-CD2 3.97Å; F288-H290 AromaticContact CD1-NE2 3.91Å; F288-H290 AromaticContact CE1-NE2 3.64Å |
| 289 | D | 28.4 | Very low | 32.4 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | cis | -119.4 | 166.5 | 21.1 | -97.1 | -47.8 | 0 | 0 | 0 | 117.3 | | |
| 290 | H | 30.6 | Very low | 32.3 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | trans | -60.2 | 166.1 | 166 | -64.5 | -89 | 0 | 0 | 0 | 112.7 | F288 | F288-H290 AromaticContact CD1-CD2 3.97Å; F288-H290 AromaticContact CD1-NE2 3.91Å; F288-H290 AromaticContact CE1-NE2 3.64Å |
| 291 | I | 32.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | cis | -151.5 | 132.7 | 19.8 | -118 | 135.2 | 0 | 0 | 0 | 105.7 | | |
| 292 | D | 26.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | | 88.4 | 148.3 | 69.3 | -152.2 | 1.5 | 0 | 0 | 0 | 115 | | |
| 293 | I | 32.4 | Very low | 32 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | trans | 78.2 | 84.6 | 167.8 | -49.3 | -178.8 | 0 | 0 | 0 | 120.1 | | |
| 294 | S | 28.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | | | | 50.7 | 134 | 129.7 | 71.9 | 0 | 0 | 0 | 0 | 126.4 | | |
| 295 | S | 31.8 | Very low | 31.3 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | 74.7 | 115.5 | 135.7 | 58 | 0 | 0 | 0 | 0 | 123.2 | | |
| 296 | D | 32.1 | Very low | 31.1 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | -53.5 | 167.1 | 147.5 | -68.5 | -68.5 | 0 | 0 | 0 | 113.6 | | |
| 297 | P | 36.9 | Very low | 30.7 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | | | cis | -126.9 | -167.6 | 11.8 | 36.6 | -16.5 | 0 | 0 | 0 | 115 | | |
| 298 | S | 32.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | -104.5 | 163.4 | -154.9 | 60.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 299 | Y | 30.7 | Very low | 30.2 | Very low | 209 Ų | 209 | 142 Ų | 142 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | | | trans | 75.9 | 137.7 | 173.8 | -88 | -111.9 | 0 | 0 | 0 | 115.9 | | |
| 300 | E | 27.2 | Very low | 30 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | | | cis | -158.8 | 168.7 | 7.8 | -160.2 | -175 | -141.1 | 0 | 0 | 112.5 | | |
| 301 | K | 29.5 | Very low | 30.2 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | 76 | 147.7 | 161.6 | -63.5 | -169.8 | 177.4 | 71.6 | 0 | 118.6 | | |
| 302 | S | 26.5 | Very low | 30.3 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 57% | 0.566 | 75% | 0.751 | S | S | * | * | | | cis | 179.6 | 144.1 | -24.2 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 303 | Y | 28.5 | Very low | 30.6 | Very low | 204 Ų | 204 | 137.4 Ų | 137.4 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | | | | 167.6 | 153.1 | 124.3 | -103.9 | -75 | 0 | 0 | 0 | 114.5 | | |
| 304 | F | 28.1 | Very low | 30.5 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | | | trans | 65.7 | 130.9 | 179.8 | -67.2 | -83.1 | 0 | 0 | 0 | 116 | | |
| 305 | S | 30 | Very low | 30.6 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | | | cis | -155.1 | 142.2 | 1.4 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 306 | Q | 29.1 | Very low | 30.6 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | | | trans | 71.7 | 108.2 | 149.5 | -70.3 | 173.7 | -8 | 0 | 0 | 121.7 | | |
| 307 | T | 25.6 | Very low | 30.4 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | | | | -121 | -178.1 | 125.5 | 61.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 308 | P | 38.3 | Very low | 30 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | | | cis | -126.8 | -169.8 | -6.7 | 43.4 | -28.1 | 0 | 0 | 0 | 113.2 | | |
| 309 | D | 28.3 | Very low | 29.8 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | | | trans | -140 | 163.8 | 158.7 | -137.6 | -29.4 | 0 | 0 | 0 | 110.5 | | |
| 310 | C | 25.2 | Very low | 29.8 | Very low | 95 Ų | 95 | 137 Ų | 137 | 64% | 0.642 | 71% | 0.712 | S | S | * | * | | | trans | -130.5 | -171.7 | -160.9 | -65.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 311 | M | 33.3 | Very low | 29.8 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | | | trans | 80.5 | 155.8 | 170.9 | -46.9 | -65.1 | -178.4 | 0 | 0 | 116.7 | | |
| 312 | A | 34.7 | Very low | 29.7 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | | | cis | -169.8 | 155.5 | -31 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 313 | D | 32 | Very low | 30 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | trans | 58.7 | 115.4 | 136.7 | -73.1 | 28.2 | 0 | 0 | 0 | 125.8 | | |
| 314 | N | 31.6 | Very low | 30 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | | | | 89.5 | 126.4 | 115.6 | -77.2 | -47.7 | 0 | 0 | 0 | 124.6 | E537 | N314-E537 WeakPolarHBondContact CA-OE1 3.47Š|
| 315 | T | 31.1 | Very low | 29.9 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | | | trans | -36.2 | 144.4 | 152.1 | 57.4 | 0 | 0 | 0 | 0 | 116.9 | E537 | T315-E537 VanDerWaalsContact CG2-CD 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE1 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E537 PolarHBondContact N-OE1 3.13Å |
| 316 | N | 30.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | | -173.2 | 113.7 | 111.4 | -103.8 | -74.2 | 0 | 0 | 0 | 114.7 | | |
| 317 | K | 28.2 | Very low | 29.9 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | | | | 43.9 | 141.5 | 121.3 | -105.7 | 172.1 | -179.9 | 175.3 | 0 | 123.3 | | |
| 318 | H | 28.7 | Very low | 30.2 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | | | trans | 92.9 | 127.7 | 145.8 | -85.6 | -74.2 | 0 | 0 | 0 | 121.7 | | |
| 319 | H | 29 | Very low | 29.8 | Very low | 160 Ų | 160 | 128 Ų | 128 | 74% | 0.741 | 68% | 0.684 | S | S | * | * | | | trans | 67.5 | 140.5 | 165.1 | -63.4 | -67.5 | 0 | 0 | 0 | 117.1 | | |
| 320 | I | 30.3 | Very low | 30.1 | Very low | 138 Ų | 138 | 125 Ų | 125 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | | | cis | -148.8 | 152.9 | 13.3 | -137.3 | 158 | 0 | 0 | 0 | 112.7 | | |
| 321 | L | 27.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | | | trans | 61.9 | 103.3 | 167.1 | -65.8 | 169.5 | 0 | 0 | 0 | 120.4 | | |
| 322 | S | 27.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 121.1 Ų | 121.1 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | | | | -104.5 | 157.8 | 113.1 | -54.2 | 0 | 0 | 0 | 0 | 107 | | |
| 323 | P | 32.7 | Very low | 29.9 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 66% | 0.656 | 67% | 0.667 | S | S | * | * | | | | -149 | 164.5 | 77.8 | 41.5 | -23.8 | 0 | 0 | 0 | 117.1 | | |
| 324 | E | 27.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 124.4 Ų | 124.4 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | | | trans | 67.4 | 124.6 | 138.5 | -79.8 | -166.2 | 138.9 | 0 | 0 | 125.4 | | |
| 325 | L | 26.6 | Very low | 29.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 67% | 0.665 | 69% | 0.689 | S | S | * | * | | | trans | 88.4 | 113.6 | 131.4 | -67 | 169.2 | 0 | 0 | 0 | 122.3 | | |
| 326 | L | 28.6 | Very low | 29.4 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 58% | 0.581 | 70% | 0.701 | S | S | * | * | | | | 89.6 | 131.8 | 127.8 | -78.3 | 167.1 | 0 | 0 | 0 | 122.1 | D98 | D98-L326 WeakPolarHBondContact OD2-CD1 3.47Š|
| 327 | S | 29.9 | Very low | 29.1 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | | | trans | 81 | 144.3 | 141 | -69.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 328 | L | 32.4 | Very low | 28.9 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 51% | 0.513 | 71% | 0.708 | S | S | . | * | | | cis | -173.7 | 134.2 | -32.1 | -126.3 | 165.3 | 0 | 0 | 0 | 110.5 | Q330 | L328-Q330 HydrophobicContact CD2-CG 3.79Š|
| 329 | R | 28.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 59% | 0.589 | 72% | 0.715 | S | S | * | * | | | trans | -174.6 | 127.4 | 139.4 | -99 | 157.8 | -156.8 | -126.7 | 1.6 | 107.8 | N102 K103 | N102-R329 PolarHBondContact O-NH2 3.07Å; K103-R329 VanDerWaalsContact C-NH2 3.27Å; K103-R329 PolarHBondContact O-NH1 3.34Å; K103-R329 PolarHBondContact O-NH2 3.41Å |
| 330 | Q | 34.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 127 Ų | 127 | 46% | 0.463 | 72% | 0.715 | S | S | . | * | | | | 66.9 | 144.2 | 52.6 | -63.6 | 174.1 | -14.7 | 0 | 0 | 112 | L328 | L328-Q330 HydrophobicContact CD2-CG 3.79Š|
| 331 | G | 30.3 | Very low | 28.7 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | | | cis | -88.5 | -171.7 | 21.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 332 | T | 31.1 | Very low | 28.6 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | | | trans | -140.2 | 166.3 | -164.1 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 333 | S | 29.2 | Very low | 28.7 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | | | trans | -34 | 158.1 | 169.2 | 53.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 334 | D | 28.6 | Very low | 28.4 | Very low | 168 Ų | 168 | 128 Ų | 128 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | | | trans | -134.9 | 165 | 139 | -117.3 | -31.1 | 0 | 0 | 0 | 109.8 | | |
| 335 | E | 27.6 | Very low | 28.7 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | | | trans | -105.5 | 171.9 | -157.5 | -61 | -169 | 95.5 | 0 | 0 | 118 | | |
| 336 | L | 26.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | | | trans | 62.3 | 101.5 | 146 | -77.4 | 160.3 | 0 | 0 | 0 | 120.2 | | |
| 337 | M | 25.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | | | | -175.6 | 113.5 | 109.4 | -100.3 | -67.6 | -178.9 | 0 | 0 | 111.6 | | |
| 338 | S | 24.2 | Very low | 28.9 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | -112.5 | 106.1 | 167.6 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 339 | C | 26.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -137.9 | 105.4 | 172.2 | -85.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 340 | N | 27.5 | Very low | 29.1 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | -82.1 | 147.3 | -173.4 | -107.6 | 56 | 0 | 0 | 0 | 113.1 | | |
| 341 | D | 28.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | | | trans | 72.9 | 96.7 | 145.1 | -63.4 | -43.2 | 0 | 0 | 0 | 121.2 | | |
| 342 | N | 26.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 77% | 0.772 | S | S | * | * | | | | 77.4 | 96.1 | 118.6 | -58.7 | -40.4 | 0 | 0 | 0 | 120.2 | L344 | N342-L344 HydrophobicContact CB-CD1 4.47Š|
| 343 | D | 29 | Very low | 28.4 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 92% | 0.92 | 77% | 0.766 | S | S | * | * | | | trans | -118.5 | 118.4 | 131.6 | -106.1 | -43.5 | 0 | 0 | 0 | 109.1 | S345 | D343-S345 PolarHBondContact O-N 3.2Š|
| 344 | L | 28.3 | Very low | 28.4 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 58% | 0.581 | 77% | 0.772 | S | S | * | * | | | trans | -79.8 | 117.5 | 176.3 | -83.4 | 81.4 | 0 | 0 | 0 | 109.9 | N342 | N342-L344 HydrophobicContact CB-CD1 4.47Š|
| 345 | S | 32.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -104.4 | 121.8 | 154.8 | 65.6 | 0 | 0 | 0 | 0 | 109.2 | D343 N347 | D343-S345 PolarHBondContact O-N 3.2Å; S345-N347 PolarHBondContact O-N 3.33Å |
| 346 | N | 29 | Very low | 28.7 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -78 | 117.9 | 176.6 | -68.3 | -13.6 | 0 | 0 | 0 | 109.1 | | |
| 347 | N | 28.1 | Very low | 28.9 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | trans | -149 | 114.9 | 152.6 | -90.1 | -33.9 | 0 | 0 | 0 | 107.4 | S345 | S345-N347 PolarHBondContact O-N 3.33Š|
| 348 | I | 31.4 | Very low | 29 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -131 | 157.4 | 170.6 | -65.9 | 179.8 | 0 | 0 | 0 | 105.7 | | |
| 349 | D | 28.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 91.5 | 133.7 | -178 | -57.4 | -35.3 | 0 | 0 | 0 | 116 | | |
| 350 | P | 37.1 | Very low | 29.5 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | | -134.5 | 170.9 | -68.5 | 20.7 | 0.9 | 0 | 0 | 0 | 113.9 | | |
| 351 | L | 25.8 | Very low | 29.5 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | -83 | 125.5 | 168.3 | -82.5 | 164.3 | 0 | 0 | 0 | 111.8 | | |
| 352 | M | 27.9 | Very low | 29.3 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | -123.9 | 107.2 | 154.3 | -73.3 | -75.1 | -178.4 | 0 | 0 | 105.4 | | |
| 353 | S | 28.1 | Very low | 29.5 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | | 78 | 115 | 65.3 | 79 | 0 | 0 | 0 | 0 | 113.1 | | |
| 354 | T | 30.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | | | trans | -136.4 | 113.6 | 164.8 | 50.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 355 | P | 32.2 | Very low | 29.5 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | trans | -91.4 | 142.7 | -175.8 | 34.3 | -33.4 | 0 | 0 | 0 | 112.8 | | |
| 356 | H | 30.3 | Very low | 29.2 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -132.8 | 107.9 | 145.4 | -90.3 | -86.6 | 0 | 0 | 0 | 105.9 | | |
| 357 | V | 31.1 | Very low | 29.1 | Very low | 109 Ų | 109 | 141 Ų | 141 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | | | | 57.7 | 86.1 | 85.5 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 358 | N | 27.5 | Very low | 29.6 | Very low | 169 Ų | 169 | 138 Ų | 138 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | | | trans | -144.7 | 102.8 | 139 | -106.4 | -19.6 | 0 | 0 | 0 | 107.2 | | |
| 359 | T | 30.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | | | trans | -90.2 | 168 | 177.9 | 43.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 360 | S | 29.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | 55.2 | 99.7 | 164.1 | 55.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 361 | N | 27.5 | Very low | 29.4 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | | -123.9 | 120.2 | 114.6 | -111.4 | -26.1 | 0 | 0 | 0 | 108.6 | | |
| 362 | F | 25.1 | Very low | 29.5 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -111 | 110.8 | -179 | -124 | -82.6 | 0 | 0 | 0 | 107.1 | | |
| 363 | I | 30.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | trans | -133.4 | 123.5 | 163.4 | -66.8 | -172.5 | 0 | 0 | 0 | 108.7 | | |
| 364 | S | 29.2 | Very low | 29.6 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | | | trans | -14.5 | 124.5 | 162.9 | 49.9 | 0 | 0 | 0 | 0 | 116 | | |
| 365 | S | 28.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | | 58.4 | 107.2 | 69.5 | 80.3 | 0 | 0 | 0 | 0 | 114 | | |
| 366 | N | 25.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | | | trans | -112.7 | 115 | 161.2 | -97.4 | -10.6 | 0 | 0 | 0 | 109.5 | | |
| 367 | N | 26.5 | Very low | 29.3 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -160.4 | 157.4 | 176.3 | -135.4 | 10.9 | 0 | 0 | 0 | 104.8 | | |
| 368 | P | 39.6 | Very low | 29.1 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | | | cis | -129.6 | -173.7 | -23.9 | 40.5 | -25 | 0 | 0 | 0 | 111.9 | | |
| 369 | Y | 29.2 | Very low | 29.3 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 86% | 0.863 | 79% | 0.793 | S | S | * | * | | | trans | -126.9 | 116.6 | 148 | -92 | -105.1 | 0 | 0 | 0 | 105.1 | | |
| 370 | T | 31.2 | Very low | 29.4 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | | | | 52.2 | 129.6 | 93 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 371 | S | 31.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 147.1 Ų | 147.1 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | cis | -169.3 | 157 | 12.4 | 46.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 372 | N | 28 | Very low | 29.3 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 77.6 | 142.3 | 148.6 | -64.3 | -7.3 | 0 | 0 | 0 | 121.6 | | |
| 373 | S | 30.8 | Very low | 29.6 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 51.8 | 104.4 | 151.5 | 57.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 374 | D | 27 | Very low | 29.5 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -132.6 | 115 | 132 | -92.5 | -43.5 | 0 | 0 | 0 | 108.7 | | |
| 375 | H | 28.3 | Very low | 29.4 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -158.8 | 122.7 | 173.3 | -157.1 | 35.2 | 0 | 0 | 0 | 106.5 | | |
| 376 | Q | 30.5 | Very low | 29.6 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 69.3 | 110.6 | -153.6 | -48.7 | 169.4 | -39.1 | 0 | 0 | 109.5 | | |
| 377 | D | 28.8 | Very low | 29.9 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | cis | -114.6 | 148.8 | 33.6 | -84.3 | -46.7 | 0 | 0 | 0 | 117.1 | | |
| 378 | L | 26.1 | Very low | 30 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -148.9 | 79.2 | 169.2 | -171.5 | 111.4 | 0 | 0 | 0 | 111.8 | | |
| 379 | M | 31.1 | Very low | 29.6 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -150 | 138.9 | 164.7 | -79.8 | -70.5 | -160.3 | 0 | 0 | 106.9 | | |
| 380 | A | 33.6 | Very low | 29.6 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | -152.7 | 156.5 | -18 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 381 | N | 27.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | | 48.5 | 138.6 | 60.9 | -83.3 | -18.7 | 0 | 0 | 0 | 113.1 | | |
| 382 | C | 28.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | | | cis | -152.9 | -151.8 | -0.4 | -134.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 383 | S | 30.5 | Very low | 30 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -157.6 | 156.8 | 11 | -127.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 384 | S | 28.4 | Very low | 30.1 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | cis | 67.8 | 146.7 | 42.5 | -154.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 385 | C | 27 | Very low | 30.4 | Very low | 125 Ų | 125 | 136 Ų | 136 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | -144.7 | 145.9 | -172.8 | -76 | 0 | 0 | 0 | 0 | 111.9 | | |
| 386 | V | 33.1 | Very low | 30.7 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | -144 | 107.3 | 179.7 | -177 | 0 | 0 | 0 | 0 | 112.9 | | |
| 387 | M | 31.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | | | trans | 37.3 | 126.8 | 143.6 | -56.4 | -57.5 | -109.2 | 0 | 0 | 125.2 | | |
| 388 | H | 28.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 56% | 0.556 | 74% | 0.737 | S | S | * | * | | | trans | 61.9 | 127 | 143.1 | -60.6 | -51.5 | 0 | 0 | 0 | 121.4 | | |
| 389 | Y | 30.3 | Very low | 31.2 | Very low | 217 Ų | 217 | 131.7 Ų | 131.7 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | | | | -164.4 | 128.2 | 69.2 | -117.4 | -91.5 | 0 | 0 | 0 | 115.6 | | |
| 390 | S | 30.1 | Very low | 31.3 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | | | trans | 46.1 | 148.6 | 142.9 | -54 | 0 | 0 | 0 | 0 | 127.7 | | |
| 391 | T | 31.5 | Very low | 31.5 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | | | trans | 70.8 | 120.7 | 163 | 48.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 392 | S | 33.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | | | | 91.6 | 137.1 | 55.6 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 393 | E | 33 | Very low | 31.4 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | cis | -148.3 | 160.4 | 24.4 | -71.2 | -172.9 | 135.5 | 0 | 0 | 114.9 | | |
| 394 | L | 34.2 | Very low | 31.5 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | | | trans | 59.6 | 146 | 144.6 | -70.9 | 166.7 | 0 | 0 | 0 | 120.8 | E396 | L394-E396 HydrophobicContact CD2-CG 4.02Š|
| 395 | S | 32.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | cis | -164.9 | 155.9 | 6.9 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 396 | E | 34.1 | Very low | 31.5 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | cis | -165.6 | -148.5 | -10.8 | -112 | 178.6 | 102.1 | 0 | 0 | 108 | L394 | L394-E396 HydrophobicContact CD2-CG 4.02Š|
| 397 | H | 32.2 | Very low | 31.2 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | | | trans | 66.9 | -157.9 | 172.7 | -68.9 | -82.5 | 0 | 0 | 0 | 115.5 | | |
| 398 | E | 31.4 | Very low | 31 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | | | | -144.6 | 172.2 | -98.1 | -97.9 | -179.1 | 86.8 | 0 | 0 | 109.7 | L400 | E398-L400 HydrophobicContact CG-CD1 4.2Å; E398-L400 HydrophobicContact CG-CG 4.26Å; E398-L400 WeakPolarHBondContact OE1-CD1 3.48Å |
| 399 | I | 33.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 146.9 Ų | 146.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | cis | -113.7 | 116.2 | 5.6 | -64.1 | 173.7 | 0 | 0 | 0 | 106.5 | | |
| 400 | L | 32.3 | Very low | 31 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | | | | 51.9 | 148.3 | 96.7 | -76.3 | 173.8 | 0 | 0 | 0 | 116.5 | E398 | E398-L400 HydrophobicContact CG-CD1 4.2Å; E398-L400 HydrophobicContact CG-CG 4.26Å; E398-L400 WeakPolarHBondContact OE1-CD1 3.48Å |
| 401 | P | 36.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -121.1 | 167.4 | -0.3 | 38.7 | -24.7 | 0 | 0 | 0 | 114.9 | | |
| 402 | T | 28.3 | Very low | 30.7 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -120.6 | 158.5 | 175.3 | 47 | 0 | 0 | 0 | 0 | 111.9 | | |
| 403 | N | 26.9 | Very low | 30.6 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -100.3 | 133.7 | 175.2 | -79.4 | -33.1 | 0 | 0 | 0 | 111.4 | | |
| 404 | V | 31.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | -139.7 | 147.4 | 159 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 405 | C | 25.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 141 Ų | 141 | 72% | 0.716 | 77% | 0.77 | S | S | * | * | | | trans | -100.3 | 179.6 | -171.6 | -68.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 406 | D | 29.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | 84.1 | 123.7 | 157.7 | -60.7 | -19.8 | 0 | 0 | 0 | 119.9 | | |
| 407 | K | 27.7 | Very low | 30.2 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -145 | 131.7 | 168.4 | -155.8 | 171.6 | -171.7 | 175.2 | 0 | 109.7 | | |
| 408 | Y | 28 | Very low | 30 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -100.9 | 155.7 | -175 | -115.3 | -94.4 | 0 | 0 | 0 | 111.9 | | |
| 409 | K | 29.4 | Very low | 30 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | | | trans | 54.1 | 114.3 | 159.8 | -77.1 | 156.8 | 177.9 | 178.1 | 0 | 117.7 | | |
| 410 | T | 28.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | | 62.5 | 114.6 | 64.2 | 72.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 411 | S | 27.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 140.1 Ų | 140.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | | 151.5 | 156.9 | 99.2 | 62.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 412 | L | 29.3 | Very low | 29 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | | | trans | 81.5 | 120.6 | 156.2 | -100 | 70.8 | 0 | 0 | 0 | 123.6 | | |
| 413 | S | 29.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | trans | 72.7 | 145.5 | 135.7 | 67 | 0 | 0 | 0 | 0 | 121.7 | | |
| 414 | T | 30.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | cis | -168.9 | 153.5 | -23.7 | 27.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 415 | S | 32.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 67.4 | 147.2 | 163.5 | 76.9 | 0 | 0 | 0 | 0 | 117 | | |
| 416 | S | 33 | Very low | 29.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | S | Bend | cis | -152 | 150.2 | -0.7 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 417 | A | 30.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -145.1 | 154.2 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 418 | E | 27.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -107.3 | 144.8 | 173.5 | -57.7 | 169.4 | 112 | 0 | 0 | 110.4 | | |
| 419 | T | 32.2 | Very low | 30 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -144.3 | 111.3 | 145.3 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 420 | S | 25 | Very low | 30.5 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | -79 | 156.7 | 161.7 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 421 | L | 28.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 121.6 Ų | 121.6 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | | | trans | 156.1 | 140.5 | 132.8 | -83.6 | 161.2 | 0 | 0 | 0 | 113.9 | | |
| 422 | V | 29.2 | Very low | 31.2 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | | | trans | 58.8 | 120.8 | 146.9 | 178 | 0 | 0 | 0 | 0 | 120.6 | N424 | V422-N424 HydrophobicContact CG1-CB 4.37Š|
| 423 | S | 30.7 | Very low | 31.5 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | -178.5 | 128.5 | 130.1 | -76.9 | 0 | 0 | 0 | 0 | 107 | | |
| 424 | N | 29.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | | | cis | 71.5 | 119.6 | 14.4 | -119 | 14.3 | 0 | 0 | 0 | 116 | V422 | V422-N424 HydrophobicContact CG1-CB 4.37Š|
| 425 | N | 27.9 | Very low | 31.6 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | -23.2 | 127.4 | 177.2 | -47.9 | -42 | 0 | 0 | 0 | 118.1 | | |
| 426 | L | 33.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 90% | 0.901 | 73% | 0.727 | S | S | * | * | | | | -165.9 | 172.4 | 112.3 | -130.1 | 65.4 | 0 | 0 | 0 | 112.8 | | |
| 427 | C | 29.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | | | trans | -95.6 | 157.1 | -171.6 | -53.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 428 | V | 33.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | | | trans | 162.7 | 93.3 | 139.8 | 154.1 | 0 | 0 | 0 | 0 | 104.6 | | |
| 429 | N | 33.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 52% | 0.524 | 72% | 0.717 | S | S | . | * | | | | 72.7 | 133.6 | 101.6 | -76.5 | -0.1 | 0 | 0 | 0 | 113 | L165 | L165-N429 VanDerWaalsContact CD2-O 3.29Å; L165-N429 WeakPolarHBondContact CD2-O 3.43Å |
| 430 | Q | 39.1 | Very low | 31.5 | Very low | 56 Ų | 56 | 129 Ų | 129 | 26% | 0.262 | 71% | 0.708 | S | S | . | * | | | cis | -161.5 | 166.9 | 0.1 | -128.5 | 166.6 | -23.3 | 0 | 0 | 114.9 | D166 C167 | D166-Q430 CarbonylContact C-O 3.35Å; D166-Q430 WeakPolarHBondContact CA-O 3.14Å; D166-Q430 PolarHBondContact OD1-N 3.4Å; C167-Q430 PolarHBondContact N-O 3.48Å |
| 431 | V | 35 | Very low | 31.5 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 42% | 0.424 | 71% | 0.708 | S | S | . | * | | | trans | 73.8 | 128.5 | 153.4 | 160.9 | 0 | 0 | 0 | 0 | 121.1 | C167 | C167-V431 VanDerWaalsContact C-CB 3.49Å; C167-V431 WeakPolarHBondContact O-CG1 3.46Å |
| 432 | E | 36 | Very low | 31.6 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | | | cis | -159.2 | -83.2 | -28 | -137.3 | -164.4 | -128 | 0 | 0 | 116.3 | | |
| 433 | T | 36.3 | Very low | 31.6 | Very low | 106 Ų | 106 | 134 Ų | 134 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | | | trans | -138.1 | 150 | -143.9 | 35.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 434 | F | 32.9 | Very low | 31.6 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 82% | 0.816 | 71% | 0.706 | S | S | * | * | | | cis | -167.9 | 170.4 | -25.1 | -138 | -113.7 | 0 | 0 | 0 | 108.8 | | |
| 435 | T | 28.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -114.4 | 163.8 | 170 | 42.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 436 | Q | 30.6 | Very low | 31.7 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | | | trans | -85.3 | 168.9 | -176 | -66.8 | -170.7 | -18.5 | 0 | 0 | 114.6 | | |
| 437 | Q | 32.7 | Very low | 31.5 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | | | trans | 81 | 143.5 | 160.2 | -56.3 | -171.6 | 15.1 | 0 | 0 | 116.6 | | |
| 438 | S | 29.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | | | cis | -173 | 158.7 | -15.6 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 439 | I | 29.7 | Very low | 31.3 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | | | trans | -174.2 | 120.7 | 140.5 | -97.8 | 152.7 | 0 | 0 | 0 | 113 | | |
| 440 | Q | 30.2 | Very low | 31.1 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | 41 | 124.8 | 148.9 | -64.1 | -176.3 | -55.7 | 0 | 0 | 124.8 | | |
| 441 | N | 25.6 | Very low | 30.6 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | 67.3 | 106.3 | 130.8 | -56.9 | -10 | 0 | 0 | 0 | 120.9 | | |
| 442 | Q | 30.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | | 178.6 | 173.4 | 97.8 | -95.6 | -171.1 | -2.5 | 0 | 0 | 113.1 | | |
| 443 | F | 30 | Very low | 30.5 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | trans | 63.7 | 105.6 | 163.1 | -77.5 | -72 | 0 | 0 | 0 | 122.1 | | |
| 444 | I | 29.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | | 35.6 | 109.4 | 129.7 | -54.8 | 180 | 0 | 0 | 0 | 117.4 | | |
| 445 | V | 30.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 142 Ų | 142 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | | | trans | -68.4 | 136.3 | 164.4 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 446 | K | 30.9 | Very low | 30.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | -139.1 | 158.7 | 167.9 | -134.9 | -177.1 | 158 | -105.2 | 0 | 110.3 | | |
| 447 | D | 27.7 | Very low | 30.2 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | trans | 59 | 69.9 | 156.3 | -51.6 | -27.1 | 0 | 0 | 0 | 117.6 | | |
| 448 | V | 28.8 | Very low | 30 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | | 27.5 | 129.8 | 109.8 | 177.5 | 0 | 0 | 0 | 0 | 117.9 | | |
| 449 | L | 30.2 | Very low | 30 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | | | trans | 70.2 | 111.1 | 165 | -72.6 | 165.6 | 0 | 0 | 0 | 118.6 | R451 | L449-R451 HydrophobicContact CD2-CB 4.47Š|
| 450 | N | 29.3 | Very low | 30.2 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | | | | -143.5 | 105 | 113.8 | -119.3 | -18.1 | 0 | 0 | 0 | 112.9 | | |
| 451 | R | 27.8 | Very low | 30.2 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -117.6 | 174.8 | 161.8 | -127.5 | -170.7 | -171.3 | -168.6 | 4.9 | 103.8 | L449 | L449-R451 HydrophobicContact CD2-CB 4.47Š|
| 452 | P | 40.8 | Very low | 30.3 | Very low | 88 Ų | 88 | 141 Ų | 141 | 57% | 0.571 | 75% | 0.753 | S | S | * | * | | | cis | -145.7 | -161.6 | -5.2 | 36.2 | -12.3 | 0 | 0 | 0 | 114 | | |
| 453 | N | 28.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | trans | 70.5 | 153.7 | 136.2 | -75 | -1.6 | 0 | 0 | 0 | 122.3 | | |
| 454 | A | 30.2 | Very low | 30.1 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | | | cis | -170.2 | 154.6 | -19.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 455 | S | 27.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | | | trans | 66.7 | 163.2 | 148.4 | 69 | 0 | 0 | 0 | 0 | 117.1 | | |
| 456 | V | 33.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 137 Ų | 137 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | | | cis | -139.9 | 139.6 | 19.9 | -180 | 0 | 0 | 0 | 0 | 112.2 | | |
| 457 | N | 31.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | 23.5 | 120.8 | 155.8 | -49.9 | -16.3 | 0 | 0 | 0 | 123.4 | | |
| 458 | N | 28.7 | Very low | 31 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | | 67.4 | 144.9 | 122.4 | -62.8 | -9.3 | 0 | 0 | 0 | 124.1 | | |
| 459 | L | 29.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | 68.5 | 96.3 | 153.1 | -70.2 | 158.9 | 0 | 0 | 0 | 119.1 | | |
| 460 | S | 33.5 | Very low | 31.6 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | | -172.3 | 161.9 | 110.6 | 32.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 461 | D | 30.9 | Very low | 31.7 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -100.4 | 143.1 | -160.4 | -80.9 | -56.3 | 0 | 0 | 0 | 115.7 | | |
| 462 | F | 26.7 | Very low | 32.2 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | | | trans | 71.3 | 169.1 | 137.7 | -87.8 | -100.2 | 0 | 0 | 0 | 123.8 | | |
| 463 | Q | 29.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | trans | 68.5 | 105.7 | 174.9 | -105.2 | 60.1 | -25.7 | 0 | 0 | 117.2 | I465 | Q463-I465 HydrophobicContact CG-CG1 4.48Š|
| 464 | C | 26.6 | Very low | 32.4 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | cis | 87.8 | 178.7 | 24.8 | -153.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 465 | I | 32.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 62% | 0.621 | 73% | 0.734 | S | S | * | * | | | trans | 66.7 | 140 | -176.3 | -12.4 | -177.3 | 0 | 0 | 0 | 112 | Q463 T467 | Q463-I465 HydrophobicContact CG-CG1 4.48Å; I465-T467 HydrophobicContact CG2-CG2 3.63Å |
| 466 | I | 35.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -133.9 | 135.4 | 18.4 | -67.9 | 161 | 0 | 0 | 0 | 109.7 | | |
| 467 | T | 37.3 | Very low | 33.2 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 59% | 0.589 | 74% | 0.736 | S | S | * | * | | | cis | -147 | -136.9 | -22.1 | 32.2 | 0 | 0 | 0 | 0 | 104.8 | I465 | I465-T467 HydrophobicContact CG2-CG2 3.63Š|
| 468 | N | 32.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | cis | -164.6 | 153.9 | -7.7 | -133.8 | -22.5 | 0 | 0 | 0 | 105.8 | | |
| 469 | T | 36.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | cis | -133 | -168.9 | 8.4 | 60.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 470 | R | 33.6 | Very low | 33.3 | Very low | 216 Ų | 216 | 127.6 Ų | 127.6 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | | | cis | -156.5 | 171.2 | 6.4 | -146.9 | -168.1 | 170.7 | 118.9 | -0.1 | 111 | | |
| 471 | S | 33 | Very low | 33.3 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | | | trans | -52.9 | 136.7 | 158.9 | 55.6 | 0 | 0 | 0 | 0 | 114 | | |
| 472 | V | 36.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | cis | -153.5 | 142.5 | -13.5 | -151.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 473 | P | 40.1 | Very low | 33.5 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | | | trans | -81 | 159.6 | 161.1 | 34.4 | -35.8 | 0 | 0 | 0 | 111.8 | | |
| 474 | N | 34.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | trans | -162.3 | 138 | 167.9 | -114.6 | -17.5 | 0 | 0 | 0 | 116.6 | | |
| 475 | V | 37 | Very low | 34.1 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | 50.4 | 128.7 | 150.1 | -172.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 476 | P | 38.3 | Very low | 34.1 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | | | trans | -128.3 | 118.8 | 151.5 | 35.2 | -20.1 | 0 | 0 | 0 | 114.3 | | |
| 477 | S | 33 | Very low | 33.9 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | -168.8 | 126.7 | 160.4 | 58.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 478 | S | 34.5 | Very low | 33.7 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | 61.1 | 134.5 | 140.2 | 60.6 | 0 | 0 | 0 | 0 | 125.1 | | |
| 479 | T | 31.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | | | trans | 78.5 | 112.6 | 140.3 | 45.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 480 | C | 25.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | trans | 64.1 | 126.3 | 131.6 | -56.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 481 | V | 32.4 | Very low | 33.5 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | | | | -177 | 129.6 | 99.2 | 152.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 482 | D | 29.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 21.3 | 169.1 | 155.8 | -63.7 | -74.8 | 0 | 0 | 0 | 127.1 | | |
| 483 | E | 33 | Very low | 33.3 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | | | trans | 87.8 | 133.5 | 160.2 | -55.3 | -142.2 | 148.7 | 0 | 0 | 119.1 | | |
| 484 | K | 32.4 | Very low | 32.9 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 60% | 0.6 | 75% | 0.748 | S | S | * | * | | | cis | -171.5 | 160 | -21.6 | -124.4 | 166.4 | -168.5 | 166.3 | 0 | 110.7 | | |
| 485 | H | 37 | Very low | 32.7 | Very low | 141 Ų | 141 | 125 Ų | 125 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | | | trans | 64.7 | 161.3 | 151.1 | -66.9 | -33.7 | 0 | 0 | 0 | 120.2 | | |
| 486 | N | 31.5 | Very low | 32.3 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | cis | -164.4 | 135.9 | -35.5 | -109 | 9.3 | 0 | 0 | 0 | 109.8 | | |
| 487 | G | 32.7 | Very low | 32 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | | | trans | 69.7 | -178.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 488 | A | 31.7 | Very low | 32 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | | | cis | -163.8 | 155.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 489 | L | 31.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | 72.4 | 144.8 | 145.7 | -76.8 | 161.4 | 0 | 0 | 0 | 122.6 | | |
| 490 | K | 33.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | 77.4 | 104.3 | 149.2 | -74.9 | 169.9 | -179.8 | -179.8 | 0 | 121.4 | | |
| 491 | V | 33.7 | Very low | 32.3 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -63.8 | 155.8 | 131.5 | -134.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 492 | P | 37.7 | Very low | 32.3 | Very low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | | | | -144.1 | 175.1 | 83.4 | 39.9 | -23.2 | 0 | 0 | 0 | 116.2 | | |
| 493 | S | 29 | Very low | 32.4 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -73.8 | -165.7 | -176.4 | -35.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 494 | V | 31.1 | Very low | 32.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | trans | 97.4 | 132.9 | 161.7 | -178.4 | 0 | 0 | 0 | 0 | 115 | | |
| 495 | V | 30 | Very low | 32.4 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | cis | -166.2 | -169.7 | -31 | 93.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 496 | N | 29.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | 84.6 | 135.4 | 171.7 | -70.4 | -19.1 | 0 | 0 | 0 | 116.2 | | |
| 497 | V | 32.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | | | cis | -160.5 | 143 | -0.4 | 98.4 | 0 | 0 | 0 | 0 | 113 | | |
| 498 | I | 31.9 | Very low | 32 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | 60.6 | 133.7 | 154.2 | -68.7 | 165.9 | 0 | 0 | 0 | 118.5 | | |
| 499 | C | 31.1 | Very low | 31.7 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | cis | -159.4 | 173.4 | -7.3 | -115.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 500 | T | 26.9 | Very low | 31.6 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -141.8 | -176.2 | 168.2 | 60.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 501 | P | 40.7 | Very low | 31.4 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | cis | -124.7 | -170.2 | -33 | 35.3 | -17.3 | 0 | 0 | 0 | 112 | | |
| 502 | N | 31.7 | Very low | 31.1 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | | -175.5 | 158 | 123.1 | -93 | -7 | 0 | 0 | 0 | 113.8 | | |
| 503 | D | 31.4 | Very low | 30.8 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | -14.2 | 150.4 | 177.1 | -59.7 | -70.2 | 0 | 0 | 0 | 120.9 | | |
| 504 | V | 34.3 | Very low | 30.9 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | cis | -151.6 | 137.4 | 45.7 | 169.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 505 | R | 31.9 | Very low | 30.9 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | | | trans | 17.4 | 122.4 | 152.1 | -57.9 | 175.9 | 179.9 | -179.2 | 0.6 | 123.1 | | |
| 506 | K | 30.1 | Very low | 30.9 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | | 67.1 | 135.7 | 127.9 | -63.4 | -172.3 | 176.3 | -171.5 | 0 | 122.6 | | |
| 507 | Q | 25.4 | Very low | 30.8 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -103.9 | -170.7 | 161.4 | -64.1 | -169.9 | -6.8 | 0 | 0 | 110.5 | | |
| 508 | P | 37.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 147 Ų | 147 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | | -132.8 | -168.3 | -52.2 | 31.5 | -11.8 | 0 | 0 | 0 | 113.8 | | |
| 509 | M | 25.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | 100.2 | 129.7 | 152.5 | -67.9 | -70.3 | -174.4 | 0 | 0 | 121.4 | | |
| 510 | F | 27.6 | Very low | 30.6 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | 56.8 | 144.8 | 162.5 | -61.2 | -64.6 | 0 | 0 | 0 | 118.3 | | |
| 511 | S | 28.7 | Very low | 30.7 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | cis | -152.5 | -178.5 | 16 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 512 | S | 28.5 | Very low | 30.3 | Very low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -69 | 155.1 | -174.3 | 55.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 513 | K | 30.8 | Very low | 30.2 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | | -168.1 | 163.2 | 118.9 | -114.9 | -171.9 | 169.7 | -146.9 | 0 | 114.7 | D515 | K513-D515 IonicContact NZ-OD2 3.3Å; K513-D515 PolarHBondContact NZ-OD2 2.83Å |
| 514 | S | 31.7 | Very low | 30.3 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -124.7 | 146.6 | 166.4 | 56.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 515 | D | 30.6 | Very low | 30 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | -152.2 | 168.6 | 165.2 | -92.7 | -52.5 | 0 | 0 | 0 | 110.9 | K513 | K513-D515 IonicContact NZ-OD2 3.3Å; K513-D515 PolarHBondContact NZ-OD2 2.83Å |
| 516 | L | 30.9 | Very low | 29.9 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -97.3 | 179.4 | -165.2 | -109 | 78.1 | 0 | 0 | 0 | 115.1 | | |
| 517 | C | 25.8 | Very low | 29.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -62.5 | 149.9 | -177.1 | -47.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 518 | E | 31.7 | Very low | 29.9 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -127.2 | 166.3 | 154.2 | -164 | 159.7 | -131.2 | 0 | 0 | 109.3 | | |
| 519 | R | 29.1 | Very low | 29.5 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -156.9 | 160.9 | -170.5 | -169.2 | -176.8 | -176.4 | 178.6 | 2.7 | 109.8 | | |
| 520 | V | 32 | Very low | 29.7 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 78.7 | 126.5 | 175.3 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 521 | D | 28.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | cis | -140.7 | 167.3 | -4.8 | -102 | -21.9 | 0 | 0 | 0 | 107.7 | | |
| 522 | S | 33.2 | Very low | 29.6 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | | | cis | -158.5 | 169.5 | 46.9 | -56.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 523 | T | 29.7 | Very low | 29.6 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -25.5 | 153.3 | 160.9 | 57 | 0 | 0 | 0 | 0 | 117.4 | | |
| 524 | V | 32.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | cis | -155.4 | 150 | 43.2 | 172 | 0 | 0 | 0 | 0 | 111.8 | | |
| 525 | G | 29.2 | Very low | 29.5 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | 107.2 | 110.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 526 | G | 29.2 | Very low | 29.7 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -83.9 | -164.9 | 150 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 527 | N | 29.6 | Very low | 29.7 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | cis | -157.4 | 178.4 | 27 | -66.4 | -49 | 0 | 0 | 0 | 110.8 | | |
| 528 | Y | 26.5 | Very low | 30 | Very low | 216 Ų | 216 | 145 Ų | 145 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -141.3 | 105.7 | 152.5 | -120 | -81.8 | 0 | 0 | 0 | 111.8 | | |
| 529 | H | 28.4 | Very low | 29.9 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | 147.7 | 107.7 | 143 | -87.8 | -66.1 | 0 | 0 | 0 | 112.5 | | |
| 530 | Q | 30 | Very low | 30.2 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | | | | -176.9 | 132.3 | 112.2 | -99.3 | 179.6 | 12.6 | 0 | 0 | 110.2 | | |
| 531 | D | 24.1 | Very low | 30.1 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -83.9 | 131.7 | 166.3 | -71.5 | -69.9 | 0 | 0 | 0 | 110.7 | | |
| 532 | K | 30 | Very low | 30.4 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | trans | -180 | 130.5 | 130.5 | -100.8 | 162.3 | -175.6 | -178.6 | 0 | 112 | | |
| 533 | S | 28.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | 28.7 | 130 | 148.2 | 58.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 534 | S | 31.1 | Very low | 30.8 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | cis | -168.3 | 133.2 | 49.7 | 53.4 | 0 | 0 | 0 | 0 | 116 | | |
| 535 | F | 29 | Very low | 30.9 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | | | trans | 50.7 | 153.6 | 144.1 | -76.7 | -91.4 | 0 | 0 | 0 | 124.2 | | |
| 536 | P | 34.9 | Very low | 30.9 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | trans | -121.4 | 175 | -176.8 | 44 | -31.2 | 0 | 0 | 0 | 115.5 | | |
| 537 | E | 30 | Very low | 30.9 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 50% | 0.5 | 75% | 0.754 | S | S | . | * | | | trans | -128.5 | 132 | 154.2 | -70.6 | 178.4 | 91.6 | 0 | 0 | 107.7 | N314 T315 | N314-E537 WeakPolarHBondContact CA-OE1 3.47Å; T315-E537 VanDerWaalsContact CG2-CD 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE1 3.46Å; T315-E537 WeakPolarHBondContact CG2-OE2 3.48Å; T315-E537 PolarHBondContact N-OE1 3.13Å |
| 538 | Q | 33 | Very low | 30.9 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 64% | 0.64 | 75% | 0.754 | S | S | * | * | | | cis | 78.2 | 136.7 | 48 | -71 | -157.6 | -12 | 0 | 0 | 113.6 | | |
| 539 | I | 30.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | cis | -141.4 | 159 | -14.5 | -84.4 | 145.5 | 0 | 0 | 0 | 105.6 | | |
| 540 | I | 33.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | | 171.7 | 107.3 | 107.2 | -77.4 | 164.3 | 0 | 0 | 0 | 108 | | |
| 541 | N | 31 | Very low | 31.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | | 156.5 | 132.4 | 109.6 | -110.9 | -15.7 | 0 | 0 | 0 | 115 | | |
| 542 | V | 35 | Very low | 32 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | 60.3 | 93.7 | 148.6 | -171.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 543 | D | 28.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -58.1 | 167.3 | 148.6 | -112.4 | -44 | 0 | 0 | 0 | 111.9 | | |
| 544 | P | 42.1 | Very low | 32.3 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | | | cis | -153.7 | 170.8 | 43 | 47.4 | -27.1 | 0 | 0 | 0 | 120.5 | | |
| 545 | Q | 32.8 | Very low | 32.9 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | | | trans | 79.1 | 76 | 152.2 | -49.1 | -142.4 | -22.5 | 0 | 0 | 121.6 | | |
| 546 | S | 30.3 | Very low | 33 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | | 47.8 | 120.3 | 111.6 | 65.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 547 | T | 29.6 | Very low | 32.7 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | | | trans | 68.4 | 124.8 | 131.8 | 57.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 548 | I | 29.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | trans | -164.4 | 163.9 | 133.4 | -106 | 161.3 | 0 | 0 | 0 | 109.2 | | |
| 549 | C | 29.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | | | trans | 77.9 | 138.4 | -177.1 | -65.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 550 | E | 30 | Very low | 32.4 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | cis | -124.4 | -179.8 | 6.8 | -72.7 | -164.3 | 133.9 | 0 | 0 | 114.8 | | |
| 551 | L | 30.4 | Very low | 32.2 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -137.3 | -170.1 | -172.8 | -80 | 166 | 0 | 0 | 0 | 108.6 | | |
| 552 | P | 42 | Very low | 32.2 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | | | | -128.1 | -162.5 | -58.9 | 39.4 | -24.1 | 0 | 0 | 0 | 110.5 | | |
| 553 | F | 32.5 | Very low | 32.2 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | | -166.5 | 95 | 128.4 | -119.4 | -87.3 | 0 | 0 | 0 | 113.7 | | |
| 554 | I | 33 | Very low | 32.2 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 52% | 0.518 | 76% | 0.761 | S | S | . | * | | | trans | 27.7 | 149.4 | 145.5 | -2.1 | 173.9 | 0 | 0 | 0 | 122.7 | N556 | I554-N556 HydrophobicContact CG2-CB 3.87Å; I554-N556 WeakPolarHBondContact CG2-ND2 3.5Å |
| 555 | P | 44.2 | Very low | 31.9 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | | -131.2 | 162.4 | 92.9 | 38.5 | -30.8 | 0 | 0 | 0 | 115.1 | | |
| 556 | N | 29.3 | Very low | 31.9 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | | | trans | -130.6 | 149.8 | -157.5 | -117.3 | -25.7 | 0 | 0 | 0 | 114.5 | I554 | I554-N556 HydrophobicContact CG2-CB 3.87Å; I554-N556 WeakPolarHBondContact CG2-ND2 3.5Å |
| 557 | L | 29.1 | Very low | 32 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | -148.7 | 110.9 | 167.7 | -94.8 | 174.7 | 0 | 0 | 0 | 113.4 | | |
| 558 | R | 26.8 | Very low | 32.3 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 75% | 0.751 | 77% | 0.766 | S | S | * | * | | | trans | 39.9 | 151.2 | 150.1 | -54.2 | -173.2 | 178.6 | -163.2 | 1.1 | 121.2 | | |
| 559 | F | 28.7 | Very low | 32.2 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | cis | -126.6 | -153.1 | 8.6 | -80.7 | -81.7 | 0 | 0 | 0 | 109.8 | | |
| 560 | T | 32.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | cis | -137.6 | -173.4 | 8.5 | 55.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 561 | T | 29.8 | Very low | 32.5 | Very low | 110 Ų | 110 | 135 Ų | 135 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | cis | 70.7 | 139.5 | 24.7 | 11.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 562 | L | 29.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | cis | -121.7 | 165.6 | 3.2 | -81.1 | 155 | 0 | 0 | 0 | 110.2 | | |
| 563 | I | 35.3 | Very low | 32.1 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | | -158.4 | 166.2 | 65.5 | -77.5 | 170 | 0 | 0 | 0 | 109.9 | | |
| 564 | G | 30.3 | Very low | 32 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -73.1 | -164.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 565 | S | 35.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | cis | -161.9 | 148.7 | 30.6 | 49.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 566 | S | 31.9 | Very low | 31.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | 34.1 | 132.8 | 144.1 | 63.3 | 0 | 0 | 0 | 0 | 125.2 | | |
| 567 | S | 32.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 77.2 | 154.7 | 144.4 | 81.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 568 | Q | 35.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | cis | -134.9 | 161.2 | 18.4 | -61.8 | 176.6 | -5.7 | 0 | 0 | 114 | | |
| 569 | N | 27.6 | Very low | 32.3 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -118.7 | 138.5 | 164.3 | -91.8 | -18.8 | 0 | 0 | 0 | 109.5 | | |
| 570 | A | 33.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -153.2 | 160.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 571 | S | 33 | Very low | 32.4 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -141.2 | 171.6 | -155.4 | -49.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 572 | L | 31.6 | Very low | 32.3 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | 78.4 | 142.3 | 163.9 | -62.5 | 160.6 | 0 | 0 | 0 | 116.2 | | |
| 573 | A | 31.9 | Very low | 32.3 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 59% | 0.587 | 78% | 0.778 | S | S | * | * | | | cis | -158.6 | 160.6 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 574 | T | 31.2 | Very low | 32.1 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | 52.5 | 122.1 | 152.1 | 47.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 575 | I | 35.8 | Very low | 32.1 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | | -161.8 | 159.7 | 106.1 | -96.8 | 159.4 | 0 | 0 | 0 | 109.6 | | |
| 576 | S | 32.2 | Very low | 31.7 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -90.4 | 150.6 | -158 | 48.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 577 | Q | 32.4 | Very low | 31.7 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | | 156.1 | 137.3 | 113.9 | -81 | -169.3 | 13.5 | 0 | 0 | 113.6 | | |
| 578 | S | 32.9 | Very low | 31.5 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 48.7 | 138.3 | 157.7 | 54.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 579 | S | 34.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -168.3 | 141.1 | -10 | 45.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 580 | S | 32.1 | Very low | 31.7 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | 11.2 | 122.1 | 160.6 | 54.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 581 | S | 31.5 | Very low | 31.5 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | cis | 85.4 | 141.3 | 35.6 | 85.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 582 | L | 26.9 | Very low | 31.5 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -89.3 | 166.7 | -177.4 | -78.8 | 158.1 | 0 | 0 | 0 | 113.7 | | |
| 583 | S | 30.4 | Very low | 31.7 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | 87.6 | 130.3 | 146.3 | 75 | 0 | 0 | 0 | 0 | 121.9 | | |
| 584 | S | 31.5 | Very low | 32 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | 88.9 | 106.2 | 138.9 | -59.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 585 | F | 28.9 | Very low | 32 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | 74.3 | 151.3 | 134.3 | -83.8 | -84.4 | 0 | 0 | 0 | 123.1 | | |
| 586 | D | 28.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -77.9 | 173.3 | -169.5 | -51.4 | -90.6 | 0 | 0 | 0 | 113.7 | | |
| 587 | Q | 32.3 | Very low | 32 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | cis | -158.7 | 146.9 | 45.1 | -85.4 | -165.9 | -13 | 0 | 0 | 117.3 | | |
| 588 | V | 28.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | trans | 64.4 | 128.1 | 134.2 | 176.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 589 | F | 33.6 | Very low | 32 | Very low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.873 | 75% | 0.745 | S | S | * | * | | | trans | -146.8 | 127.6 | 136.6 | -119.6 | -83.9 | 0 | 0 | 0 | 112.6 | | |
| 590 | S | 33.1 | Very low | 32 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | trans | 52.4 | 77.8 | 156.4 | -63.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 591 | S | 29.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | | 49.9 | 114.1 | 113.9 | -52.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 592 | N | 32.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -154.2 | 144.1 | 145.6 | -105.3 | -106.3 | 0 | 0 | 0 | 107.3 | | |
| 593 | I | 36.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | | | cis | -152.8 | 167.8 | -11.4 | -148.2 | -179.5 | 0 | 0 | 0 | 111.3 | | |
| 594 | I | 36.4 | Very low | 32.5 | Very low | 137 Ų | 137 | 140 Ų | 140 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | -22.2 | 140.2 | 163 | -66.1 | 167.2 | 0 | 0 | 0 | 116.8 | | |
| 595 | R | 31.4 | Very low | 32.5 | Very low | 193 Ų | 193 | 142.9 Ų | 142.9 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | | | cis | 177.3 | 169.4 | -14.9 | -114.3 | 170.2 | 160 | -138.5 | 2.1 | 108.6 | | |
| 596 | E | 33.8 | Very low | 32.7 | Very low | 117 Ų | 117 | 141 Ų | 141 | 55% | 0.547 | 75% | 0.749 | S | S | . | * | | | cis | -97.3 | -97.3 | -1.5 | -60.5 | -76.5 | 168.5 | 0 | 0 | 111.6 | | |
| 597 | S | 34.5 | Very low | 32.7 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | cis | -164.4 | 138 | -10.8 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 598 | I | 35.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | cis | -159.2 | 142.3 | -32.1 | -158.2 | 170 | 0 | 0 | 0 | 108.4 | | |
| 599 | C | 30.8 | Very low | 33 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | | | trans | 61.4 | 143.9 | 170.9 | -67.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 600 | E | 34.1 | Very low | 33 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | cis | -161.2 | 149.6 | -7.1 | -130.2 | 160.7 | -138.3 | 0 | 0 | 113.8 | | |
| 601 | S | 37 | Very low | 32.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 60.7 | 152 | 159.6 | 66.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 602 | N | 32.1 | Very low | 33 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | cis | 141.4 | 113.1 | -20.6 | -93.9 | -24.2 | 0 | 0 | 0 | 109.5 | | |
| 603 | K | 34 | Very low | 33 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | | 175.4 | 150.5 | 125.9 | -101.5 | -171.3 | 175.2 | -153.5 | 0 | 113.9 | | |
| 604 | C | 27.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -140.1 | 141.1 | 166.9 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 605 | E | 32.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | | | trans | 174.2 | 156.6 | 166.6 | -101.7 | 165 | 158.1 | 0 | 0 | 106.7 | | |
| 606 | N | 31.4 | Very low | 32.4 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | cis | 174.3 | 127.3 | -34.1 | -115.5 | -20.2 | 0 | 0 | 0 | 106.4 | | |
| 607 | G | 30.2 | Very low | 32.3 | Very low | 76 Ų | 76 | 133.3 Ų | 133.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | 84.1 | 127.8 | 150 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 608 | Y | 32.2 | Very low | 32.4 | Very low | 230 Ų | 230 | 135.4 Ų | 135.4 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | | | | -155.6 | 169.5 | 128.2 | -142.4 | -99.3 | 0 | 0 | 0 | 111.5 | | |
| 609 | V | 34.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -141.8 | 159.1 | -169.4 | -165.4 | 0 | 0 | 0 | 0 | 111 | | |
| 610 | D | 32.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | 66.8 | 153.2 | 172.5 | -62 | -47 | 0 | 0 | 0 | 117.9 | | |
| 611 | G | 31.5 | Very low | 32.2 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | cis | 171.5 | 151.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 612 | F | 30.9 | Very low | 31.9 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | 69.9 | 156.9 | 149.2 | -81.5 | -82.9 | 0 | 0 | 0 | 125.5 | | |
| 613 | T | 32.1 | Very low | 32.1 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 80 | 114.3 | 159.6 | 35.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 614 | S | 29.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -96.2 | 178.2 | 162.4 | 55.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 615 | I | 32 | Very low | 32.5 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | 144.7 | 140.9 | 157.3 | -81.7 | 158.7 | 0 | 0 | 0 | 109.5 | | |
| 616 | S | 30.5 | Very low | 32.5 | Very low | 89 Ų | 89 | 127.8 Ų | 127.8 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | | | cis | -172.9 | -175 | -23.5 | 69 | 0 | 0 | 0 | 0 | 110.1 | | |
| 617 | S | 33.3 | Very low | 33.1 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | trans | 79.8 | 157.1 | 149 | -68.2 | 0 | 0 | 0 | 0 | 120 | | |
| 618 | K | 34.7 | Very low | 33.2 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 68% | 0.683 | 76% | 0.759 | S | S | * | * | | | cis | 174.1 | 160.9 | -27.4 | -106.2 | 174.3 | 172.7 | -83.3 | 0 | 107.4 | | |
| 619 | E | 33.4 | Very low | 33.5 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | cis | -170.5 | 154.3 | -16.7 | -155.1 | 156.2 | -116.7 | 0 | 0 | 111.4 | | |
| 620 | G | 31.8 | Very low | 33.4 | Very low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | 94 | 155.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 621 | G | 31.7 | Very low | 34 | Very low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | | | trans | 118.7 | 137.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 622 | S | 30.3 | Very low | 34.2 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -167.6 | 170.8 | -152.1 | -175.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 623 | V | 37.7 | Very low | 34.8 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | | | trans | 86.6 | 148 | 160.4 | -150.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 624 | T | 33.3 | Very low | 34.8 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | | | trans | 82.1 | 140.4 | 170.2 | 84.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 625 | H | 36 | Very low | 34.9 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | | | cis | -126.9 | 165.9 | 10.5 | -82.1 | -93.4 | 0 | 0 | 0 | 115 | | |
| 626 | T | 33.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | trans | -109.5 | -175.5 | 179.3 | 49 | 0 | 0 | 0 | 0 | 110.6 | | |
| 627 | P | 44.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | cis | -134.9 | -146.3 | 13 | 38.2 | -12.3 | 0 | 0 | 0 | 113 | | |
| 628 | L | 32.2 | Very low | 35 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | -162.1 | 169.5 | 9.5 | -136.6 | -167.1 | 0 | 0 | 0 | 111.5 | | |
| 629 | I | 36.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 128 Ų | 128 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | 70.3 | 128.5 | 165 | -55.9 | 176.8 | 0 | 0 | 0 | 117.4 | | |
| 630 | I | 33.8 | Very low | 35.3 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -142.3 | 130.4 | 179.5 | -62.1 | 171.8 | 0 | 0 | 0 | 110.5 | | |
| 631 | P | 45 | Very low | 36 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -107.4 | 165.9 | 165.3 | 37.4 | -29.2 | 0 | 0 | 0 | 113.7 | | |
| 632 | T | 36.4 | Very low | 36 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -152.1 | -179 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 633 | P | 43.5 | Very low | 36.1 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | cis | -136.4 | -165.6 | -45.5 | 33.4 | -12.7 | 0 | 0 | 0 | 113.6 | | |
| 634 | S | 31.4 | Very low | 35.9 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | | | trans | 91 | 126.9 | 137 | -73.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 635 | F | 32 | Very low | 35.9 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | 63 | 152.2 | 139.2 | -63.5 | -44.7 | 0 | 0 | 0 | 121.6 | | |
| 636 | H | 30.2 | Very low | 35.7 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | | | cis | -167.2 | 138.9 | -32 | -150.4 | -4 | 0 | 0 | 0 | 110.2 | | |
| 637 | M | 30.9 | Very low | 35.6 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | | | trans | 70.6 | 164.2 | 162.3 | -52.3 | -152 | 123 | 0 | 0 | 120.2 | | |
| 638 | A | 36.2 | Very low | 35 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | | | trans | -107.3 | -177.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 639 | P | 40.5 | Very low | 35 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | cis | -141.8 | -165.2 | 21.7 | 43.2 | -20.9 | 0 | 0 | 0 | 117.3 | | |
| 640 | H | 34.8 | Very low | 34.8 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -77 | 179.3 | 178.6 | -62.3 | -80.1 | 0 | 0 | 0 | 114.9 | | |
| 641 | P | 44.9 | Very low | 34.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | | | cis | -137.9 | -171.7 | -23 | 22.6 | 3 | 0 | 0 | 0 | 115.7 | | |
| 642 | V | 32.7 | Very low | 34.2 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 111.9 | 122.7 | 143.9 | -169 | 0 | 0 | 0 | 0 | 120.7 | | |
| 643 | S | 32.8 | Very low | 34.6 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | trans | 68.4 | 109.3 | 150.7 | 72.5 | 0 | 0 | 0 | 0 | 125.8 | | |
| 644 | T | 33.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 68.5 | 116.8 | 125.1 | 60 | 0 | 0 | 0 | 0 | 124.8 | | |
| 645 | Q | 33.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | | 65.5 | 145.1 | 128.3 | -65.3 | 177.8 | -7.6 | 0 | 0 | 120.7 | | |
| 646 | S | 31.2 | Very low | 34.8 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | cis | -170.5 | 147.6 | -15.4 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 647 | T | 31.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 62.6 | 136.1 | 146.1 | 50.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 648 | F | 31.2 | Very low | 34.9 | Very low | 186 Ų | 186 | 126 Ų | 126 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | trans | 71.8 | 102.5 | 146.3 | -91.7 | -104.8 | 0 | 0 | 0 | 122.6 | | |
| 649 | V | 32.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 70% | 0.697 | 76% | 0.762 | S | S | * | * | | | | 73.3 | 125.4 | 122.4 | 175.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 650 | V | 32.5 | Very low | 34.4 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | 79.4 | 156.9 | 159.3 | 163 | 0 | 0 | 0 | 0 | 118.4 | | |
| 651 | S | 33.1 | Very low | 34.7 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -145.7 | 141 | -144 | -48.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 652 | H | 33.6 | Very low | 34.2 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | | | trans | 72.7 | 169.9 | 143.5 | -67.6 | 19.6 | 0 | 0 | 0 | 117.8 | | |
| 653 | P | 43.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | | -144.2 | -177 | -51.2 | 43.2 | -27.4 | 0 | 0 | 0 | 115.9 | | |
| 654 | V | 35.2 | Very low | 34 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 89.3 | 125.3 | 157.1 | -178.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 655 | T | 35.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -56.1 | -177.7 | 174.3 | 57.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 656 | P | 39.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | cis | -134.4 | 169.9 | -0.5 | 39.4 | -22.6 | 0 | 0 | 0 | 117 | | |
| 657 | G | 31.1 | Very low | 33.5 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | trans | 160.9 | 105.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 658 | V | 33.4 | Very low | 33.4 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | | 68.2 | 123.6 | 126.1 | 177.9 | 0 | 0 | 0 | 0 | 122 | | |
| 659 | I | 34.6 | Very low | 33.9 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | 76.9 | 132 | 170.2 | -14.8 | -171.3 | 0 | 0 | 0 | 121.4 | | |
| 660 | S | 31.7 | Very low | 33.9 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -94 | -151.9 | 167.3 | -32.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 661 | P | 40.7 | Very low | 33.7 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | cis | -115.5 | -172.1 | 0.3 | 45 | -30.9 | 0 | 0 | 0 | 112.3 | | |
| 662 | A | 34.6 | Very low | 33.6 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | cis | -138.6 | 136.2 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 663 | E | 30.9 | Very low | 33.1 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | | 61.4 | 124.8 | 97.1 | -57.2 | -168.7 | 124.4 | 0 | 0 | 114.7 | | |
| 664 | L | 29.4 | Very low | 32.3 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | | 69.6 | 145.5 | 50.7 | -55.8 | 165.9 | 0 | 0 | 0 | 111.6 | | |
| 665 | Q | 30.5 | Very low | 32.1 | Very low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | cis | -149.3 | -163.9 | 6.9 | -141.8 | 162.6 | 22.9 | 0 | 0 | 112.7 | | |
| 666 | S | 28.8 | Very low | 32 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | trans | -101.9 | 166.4 | -168.3 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 667 | S | 29.7 | Very low | 31.9 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | 68.4 | 102.1 | 143.4 | 55.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 668 | A | 29.8 | Very low | 32 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | | | trans | 69.9 | 165.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 669 | P | 40.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -118 | -129.9 | -12.6 | 32.1 | -11 | 0 | 0 | 0 | 111 | | |
| 670 | I | 32.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 75.3 | 101.7 | 167.3 | -62 | 169.4 | 0 | 0 | 0 | 114.1 | | |
| 671 | V | 28.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | | 87.5 | 126.2 | 75.7 | 159.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 672 | L | 30.8 | Very low | 31.3 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 53.7 | 118.6 | 169.1 | -64.8 | 165.4 | 0 | 0 | 0 | 117.3 | | |
| 673 | S | 24.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | | 69.7 | 141.5 | 63.2 | -64.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 674 | L | 26.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | 67.8 | 87.5 | 158.3 | -65.2 | 163.7 | 0 | 0 | 0 | 118.9 | | |
| 675 | K | 31.1 | Very low | 31.6 | Very low | 208 Ų | 208 | 129.4 Ų | 129.4 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | | | | -171.3 | 147.6 | 98.1 | -85.6 | 136 | -164 | 163.5 | 0 | 107.5 | | |
| 676 | G | 33.7 | Very low | 31.5 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | cis | 148.7 | 165.1 | 15.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 677 | R | 37.7 | Very low | 31.4 | Very low | 246 Ų | 246 | 131.8 Ų | 131.8 | 93% | 0.928 | 76% | 0.761 | S | S | * | * | | | cis | -158.1 | 161.6 | 8.5 | -90 | 173.7 | 169.8 | 165.7 | -6.7 | 104.9 | | |
| 678 | A | 32 | Very low | 31.2 | Very low | 82 Ų | 82 | 131 Ų | 131 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | cis | -163.2 | -172.5 | -12.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 679 | C | 25 | Very low | 30.9 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | | | trans | -7.9 | 152 | 147.8 | -45.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 680 | V | 37 | Very low | 30.2 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 66% | 0.655 | 76% | 0.757 | S | S | * | * | | | | -155.5 | 149.4 | 59.8 | 161.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 681 | E | 35 | Very low | 29.9 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 55 | 131.3 | 169.2 | -75.7 | 133.6 | -143.5 | 0 | 0 | 119.1 | | |
| 682 | A | 28.3 | Very low | 30.1 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | cis | 88.3 | 160.7 | 28.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 683 | P | 38.2 | Very low | 30.2 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | | -136.2 | -148.8 | -91.1 | 37.3 | -16.4 | 0 | 0 | 0 | 113.2 | | |
| 684 | Q | 33.8 | Very low | 30.4 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | 84.2 | 126.1 | 171.2 | -52.9 | 178.4 | -0.9 | 0 | 0 | 115 | | |
| 685 | S | 29.6 | Very low | 30.5 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | cis | 99.1 | 109.1 | 16.9 | 84.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 686 | Q | 28.1 | Very low | 30.3 | Very low | 171 Ų | 171 | 120.9 Ų | 120.9 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | | | trans | 70.7 | 126.6 | 144.6 | -67.7 | -170.2 | -4.7 | 0 | 0 | 121.2 | | |
| 687 | L | 26.3 | Very low | 30 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | trans | 66.6 | 135.5 | 133.3 | -66.8 | 168.5 | 0 | 0 | 0 | 120.7 | | |
| 688 | A | 25.6 | Very low | 29.8 | Very low | 89 Ų | 89 | 119.9 Ų | 119.9 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | 49.5 | 132.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 689 | S | 24.5 | Very low | 29.5 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | cis | 174.5 | -176.5 | 7.6 | 48.9 | 0 | 0 | 0 | 0 | 108 | | |
| 690 | L | 25.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | 55 | 103.4 | 152.9 | -68.9 | 162 | 0 | 0 | 0 | 117 | | |
| 691 | S | 25.1 | Very low | 30.1 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | | 114.1 | 163.1 | 94.1 | 70 | 0 | 0 | 0 | 0 | 110.3 | | |
| 692 | T | 33 | Very low | 30 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | cis | -141.2 | 176.6 | 15.1 | 43.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 693 | S | 32.8 | Very low | 30.4 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | | | trans | 52.2 | 119.2 | 149.4 | 56.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 694 | S | 29.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | | | cis | 77.2 | 124 | 49.7 | 81 | 0 | 0 | 0 | 0 | 115.3 | | |
| 695 | G | 30 | Very low | 30.4 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 122.1 | 109.4 | -178 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 696 | C | 25.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | | | | 80.1 | 120.1 | 57.1 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 697 | V | 28.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | 81.4 | 141 | 158.1 | -174.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 698 | L | 31.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | trans | 92.2 | 108.1 | 175.9 | -54.2 | -168.8 | 0 | 0 | 0 | 120.1 | | |
| 699 | L | 26.2 | Very low | 31.7 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | | | trans | -52.7 | -176.6 | 141.1 | -85.6 | 71.6 | 0 | 0 | 0 | 112.5 | | |
| 700 | P | 42.1 | Very low | 32 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | | | cis | -135 | -166.3 | -2.1 | 21.1 | 5.5 | 0 | 0 | 0 | 115 | | |
| 701 | L | 33.1 | Very low | 32.3 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | 122.2 | 90.8 | 139.2 | -59.3 | 176.9 | 0 | 0 | 0 | 114.2 | | |
| 702 | Q | 33.6 | Very low | 33.2 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | | 97.2 | 151.7 | 100.6 | -65.8 | -130.8 | -15.7 | 0 | 0 | 111.8 | | |
| 703 | I | 36.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | cis | -156.1 | 143.6 | 29.3 | -146.7 | 145.6 | 0 | 0 | 0 | 111.8 | | |
| 704 | I | 37.6 | Very low | 32.9 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | 63.3 | 134.8 | 153 | -68.6 | 168.9 | 0 | 0 | 0 | 119 | | |
| 705 | N | 34.8 | Very low | 33 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | cis | -157.8 | 164.3 | -5.8 | -112.7 | 5.4 | 0 | 0 | 0 | 115.2 | | |
| 706 | S | 31.6 | Very low | 33 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -38.1 | 157.9 | 171.6 | 49.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 707 | L | 31.3 | Very low | 33.2 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | cis | 96.6 | 168 | 20.7 | -121.1 | 82.8 | 0 | 0 | 0 | 116.5 | | |
| 708 | P | 42.6 | Very low | 33.3 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | | | | -141.2 | -162 | -108.7 | 49 | -30.4 | 0 | 0 | 0 | 119 | | |
| 709 | T | 30.1 | Very low | 33.1 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | 69.1 | 171.9 | 154.2 | 50 | 0 | 0 | 0 | 0 | 121.5 | | |
| 710 | V | 31.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | | -173.4 | 129.2 | -59.5 | 140.2 | 0 | 0 | 0 | 0 | 112 | | |
| 711 | S | 31.8 | Very low | 32.8 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 53.4 | -172.3 | 159.3 | -57.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 712 | P | 43.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | cis | -139.5 | -177.6 | -7.5 | 44.2 | -26.4 | 0 | 0 | 0 | 118.2 | | |
| 713 | G | 31.1 | Very low | 32.7 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | | | trans | 100.6 | 158 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 714 | M | 29.4 | Very low | 32.3 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | | | cis | -171.3 | 160.4 | -11.3 | -125.5 | -69 | -158.9 | 0 | 0 | 110.5 | | |
| 715 | S | 30.1 | Very low | 32 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | | | trans | 71.6 | 157.9 | 156.9 | -65.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 716 | I | 30.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | cis | -170.2 | 167.4 | -21.6 | -105.6 | 165.8 | 0 | 0 | 0 | 110 | | |
| 717 | L | 30.7 | Very low | 31.8 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 79.2 | 102.5 | 159.2 | -87.2 | 167 | 0 | 0 | 0 | 124.2 | | |
| 718 | L | 30.8 | Very low | 31.8 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | | 28.3 | 122 | 122.3 | -67.1 | 176.7 | 0 | 0 | 0 | 125.2 | | |
| 719 | N | 26.7 | Very low | 31.2 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | 83.4 | 161 | 110.7 | -156.9 | 15.4 | 0 | 0 | 0 | 123 | | |
| 720 | V | 32 | Very low | 31.2 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | 91.2 | 93.8 | 160.8 | -163.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 721 | K | 31.2 | Very low | 31.2 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | | 20.9 | 144.8 | 129.6 | -72.7 | -176.9 | 177.4 | 177.1 | 0 | 123.4 | | |
| 722 | N | 31.7 | Very low | 31.5 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | | 117.2 | 146.3 | 125.5 | -92.1 | 10.3 | 0 | 0 | 0 | 120.6 | | |
| 723 | N | 31.9 | Very low | 31 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | 67.6 | 120 | 167.4 | -54.1 | -17.9 | 0 | 0 | 0 | 115.8 | | |
| 724 | N | 27.6 | Very low | 31 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | | | cis | 74 | 150.2 | 26.6 | -149.9 | 1 | 0 | 0 | 0 | 114.5 | | |
| 725 | V | 31.4 | Very low | 31.6 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | 95.2 | 102.6 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 726 | V | 31.5 | Very low | 31.5 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | trans | 61.5 | 121.7 | 137 | 174.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 727 | R | 31.8 | Very low | 31.5 | Very low | 229 Ų | 229 | 139.1 Ų | 139.1 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | | -142.9 | 136.4 | 60.3 | -73.7 | -179.1 | 178 | 171.5 | -0.1 | 111.8 | | |
| 728 | Q | 30.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | | | | 85.1 | 130.2 | 58.4 | -93.4 | -170.3 | -14.4 | 0 | 0 | 115.8 | | |
| 729 | N | 29.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | 75 | 109.4 | 149.5 | -60.3 | 5 | 0 | 0 | 0 | 117.2 | | |
| 730 | S | 30.4 | Very low | 31.5 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | | | | 74.9 | 108 | 69.5 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 731 | T | 32.1 | Very low | 31.6 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | | 55.4 | 159.3 | 91.9 | 66.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 732 | P | 38.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | | | cis | -128.6 | -175.3 | -2.7 | 42.1 | -26.9 | 0 | 0 | 0 | 113.7 | | |
| 733 | C | 31.5 | Very low | 31.8 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | | | trans | -167.5 | 120.2 | 136.8 | -116.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 734 | L | 30.3 | Very low | 31.8 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -121 | 141 | 167.9 | -96.7 | 147 | 0 | 0 | 0 | 107.6 | | |
| 735 | P | 42.3 | Very low | 32 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 73% | 0.727 | S | S | * | * | | | | -126.8 | 138.4 | 112.6 | 3 | 18.5 | 0 | 0 | 0 | 110.5 | | |
| 736 | N | 27.9 | Very low | 31.9 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | | | | 84.6 | 149.9 | 58.9 | -77.7 | -14.9 | 0 | 0 | 0 | 115.2 | | |
| 737 | F | 30.6 | Very low | 31.8 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 77% | 0.768 | 74% | 0.736 | S | S | * | * | | | trans | 85.5 | 99.2 | 164.8 | -65.1 | -66.2 | 0 | 0 | 0 | 120.2 | | |
| 738 | T | 32.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | | | | 42.2 | 126.4 | 121.7 | 55.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 739 | S | 25.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | | | | 72.1 | 155.5 | 56.3 | -166.5 | 0 | 0 | 0 | 0 | 114 | | |
| 740 | V | 31 | Very low | 31.8 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | trans | 73 | 119.8 | -170.1 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 741 | N | 32.8 | Very low | 31.7 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | cis | -156.1 | -174.1 | -10.7 | -115.8 | 3.5 | 0 | 0 | 0 | 106.8 | | |
| 742 | N | 33.4 | Very low | 31.6 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | cis | -159.9 | 177.1 | 12.7 | -138 | 3.8 | 0 | 0 | 0 | 107.1 | | |
| 743 | A | 33.7 | Very low | 31.2 | Very low | 67 Ų | 67 | 124 Ų | 124 | 55% | 0.554 | 74% | 0.743 | S | S | * | * | | | cis | -157.1 | 161.6 | -8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 744 | V | 33.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 125 Ų | 125 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | | | trans | 55.6 | 102 | 149 | 174.2 | 0 | 0 | 0 | 0 | 117 | | |
| 745 | A | 31.7 | Very low | 31.6 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | | 61.4 | 100.2 | 74.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 746 | S | 27.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | | 94.5 | 142 | 65.4 | 67.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 747 | E | 29.3 | Very low | 31.7 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | trans | 80.4 | 109.2 | 163.7 | -54.7 | -158.5 | 151.4 | 0 | 0 | 121.5 | | |
| 748 | S | 29.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | | | | 83.8 | 144.6 | 127.2 | 80.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 749 | N | 31.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 119 Ų | 119 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | | | trans | 64.8 | 153.2 | 167.1 | -47.4 | -50.3 | 0 | 0 | 0 | 115.2 | | |
| 750 | G | 31.2 | Very low | 32.4 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | | | cis | -175.8 | 155.2 | -5.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 751 | S | 29.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -50.8 | 143.9 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 114 | | |
| 752 | V | 30.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | | | | -177.8 | 121 | 127.2 | 142.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 753 | F | 28.2 | Very low | 32.5 | Very low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | | | trans | 65.2 | 146.1 | 145.3 | -79 | -126.3 | 0 | 0 | 0 | 123.2 | | |
| 754 | L | 32.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 122 Ų | 122 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 65.4 | 112.6 | 145 | -70.9 | 167.4 | 0 | 0 | 0 | 120.6 | | |
| 755 | L | 37.7 | Very low | 32.9 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | | | | -47.3 | 132.7 | 129.1 | -75.3 | 154.7 | 0 | 0 | 0 | 108.6 | | |
| 756 | P | 35 | Very low | 33 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | | -140.7 | 163.9 | 69.3 | 39.3 | -24.8 | 0 | 0 | 0 | 116 | P758 | P756-P758 WeakPolarHBondContact O-CD 3.27Š|
| 757 | T | 37.6 | Very low | 33.2 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | -66.6 | 128.9 | 164.7 | 49 | 0 | 0 | 0 | 0 | 111.8 | | |
| 758 | P | 45.7 | Very low | 33.3 | Very low | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | | | trans | -66.2 | 123.9 | 130.8 | 31.6 | -29.1 | 0 | 0 | 0 | 107 | P756 | P756-P758 WeakPolarHBondContact O-CD 3.27Š|
| 759 | G | 29.6 | Very low | 33.4 | Very low | 55 Ų | 55 | 123.4 Ų | 123.4 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | | | cis | 73.3 | 153.7 | 10.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 760 | I | 28.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | cis | -158.8 | 138.8 | 1.3 | -137.2 | 152.4 | 0 | 0 | 0 | 107.4 | | |
| 761 | V | 29.3 | Very low | 33.6 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | | | trans | 48.9 | 129 | 137.1 | 176.7 | 0 | 0 | 0 | 0 | 116.9 | N763 | V761-N763 HydrophobicContact CG1-CB 3.97Å; V761-N763 VanDerWaalsContact CG1-ND2 3.32Å; V761-N763 WeakPolarHBondContact CG1-ND2 3.46Å |
| 762 | T | 38 | Very low | 34.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | | -148.6 | 138.9 | 85.3 | 37.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 763 | N | 32.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 65% | 0.652 | 74% | 0.735 | S | S | * | * | | | | 66.7 | 130.3 | 55.3 | -88.3 | -6.8 | 0 | 0 | 0 | 112.8 | V761 | V761-N763 HydrophobicContact CG1-CB 3.97Å; V761-N763 VanDerWaalsContact CG1-ND2 3.32Å; V761-N763 WeakPolarHBondContact CG1-ND2 3.46Å |
| 764 | L | 38.6 | Very low | 34.8 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | cis | -138.9 | 170.2 | -1.9 | -57.8 | 95.9 | 0 | 0 | 0 | 107.7 | | |
| 765 | N | 35.9 | Very low | 34.9 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | | | | -170.7 | 163.7 | 52.8 | -78.4 | -69.9 | 0 | 0 | 0 | 110.5 | | |
| 766 | G | 34.9 | Very low | 34.4 | Very low | 72 Ų | 72 | 122.7 Ų | 122.7 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | | | trans | 110.1 | 97 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 767 | N | 31.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -17.9 | 119.8 | 164.1 | -56 | -16.1 | 0 | 0 | 0 | 117.9 | | |
| 768 | V | 31.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 68.3 | 124.9 | 156.5 | -173.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 769 | S | 31.7 | Very low | 33.6 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | | | trans | 83 | 153.5 | 165.5 | 79.4 | 0 | 0 | 0 | 0 | 120 | | |
| 770 | N | 33.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | trans | 84.2 | 97.5 | 152.8 | -60.2 | -23.3 | 0 | 0 | 0 | 123.4 | | |
| 771 | I | 34 | Very low | 33.7 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | | 65.8 | -154.5 | 119.1 | -57.4 | 153.3 | 0 | 0 | 0 | 114.4 | | |
| 772 | P | 44.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | | -84.9 | 170.2 | -89.4 | 34.8 | -28.2 | 0 | 0 | 0 | 116.6 | | |
| 773 | V | 34.9 | Very low | 33.3 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | cis | -103 | -91.1 | -7.7 | -157.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 774 | V | 33.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | | | cis | -151.5 | 127.3 | -24.2 | -170.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 775 | Q | 34.1 | Very low | 33 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | cis | -144.7 | 169 | -25 | -152.7 | -157.1 | -93.6 | 0 | 0 | 108.7 | | |
| 776 | L | 27.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | | | trans | -118.7 | 172.8 | -177.3 | -96.8 | 56 | 0 | 0 | 0 | 109.7 | T778 | L776-T778 HydrophobicContact CB-CG2 4.12Å; L776-T778 HydrophobicContact CD2-CG2 3.56Å; L776-T778 HydrophobicContact CG-CG2 3.75Å |
| 777 | P | 39.3 | Very low | 33.2 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | cis | -135.9 | -179.3 | 25.2 | 18.7 | 8.8 | 0 | 0 | 0 | 116.8 | | |
| 778 | T | 30.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | | | cis | -171.1 | 159.8 | -39.8 | 33.7 | 0 | 0 | 0 | 0 | 110.2 | L776 | L776-T778 HydrophobicContact CB-CG2 4.12Å; L776-T778 HydrophobicContact CD2-CG2 3.56Å; L776-T778 HydrophobicContact CG-CG2 3.75Å |
| 779 | Q | 32.1 | Very low | 33.3 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | trans | 65.7 | 102.9 | 148.6 | -68.4 | -76.6 | 16 | 0 | 0 | 120.3 | | |
| 780 | Q | 31 | Very low | 33.3 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | | | | 54.1 | 126.7 | 120.5 | -72.1 | -168 | 29.8 | 0 | 0 | 123.6 | | |
| 781 | R | 28.4 | Very low | 33.3 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | | | | 80.2 | 117 | 129.7 | -76.9 | -174 | 160.8 | -165.8 | -5.3 | 121.5 | | |
| 782 | V | 29.1 | Very low | 33 | Very low | 131 Ų | 131 | 133 Ų | 133 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | 63.3 | 86.3 | 132.1 | -170.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 783 | N | 29.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -143.8 | 153.5 | 152.6 | -84.8 | -32.1 | 0 | 0 | 0 | 105.8 | | |
| 784 | L | 35.1 | Very low | 32.1 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | cis | -154.4 | 172.7 | -9.8 | -118.9 | 163.6 | 0 | 0 | 0 | 108.9 | | |
| 785 | I | 31 | Very low | 32 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | -99.6 | -178.9 | 178.9 | -17.4 | -178.7 | 0 | 0 | 0 | 109.7 | | |
| 786 | P | 42.9 | Very low | 31.7 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | | -123.9 | -142.5 | -106 | 45.8 | -30 | 0 | 0 | 0 | 113.8 | | |
| 787 | S | 31.2 | Very low | 31.8 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 94 | 137.1 | 178.2 | 81.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 788 | T | 33.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | cis | -134.1 | -179 | 8.5 | 57.3 | 0 | 0 | 0 | 0 | 110 | | |
| 789 | L | 32.4 | Very low | 31.3 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -155.6 | 159.7 | -0.6 | -133.8 | 166.6 | 0 | 0 | 0 | 109.4 | | |
| 790 | S | 31.8 | Very low | 31.2 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | 23.7 | 112.9 | 156.7 | 62.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 791 | T | 32.6 | Very low | 31.2 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | S | Bend | | -144.1 | 144.6 | 100.5 | 42.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 792 | S | 28.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 65.9 | 152.7 | -168.1 | 80.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 793 | V | 30.2 | Very low | 31.2 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | 62.3 | 63.6 | -178.5 | -159.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 794 | L | 29.3 | Very low | 31.3 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | | | trans | -92.9 | 153.3 | 135.3 | -73.4 | 167 | 0 | 0 | 0 | 107.4 | | |
| 795 | S | 31.7 | Very low | 31.2 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | cis | -169.1 | 137 | -15.5 | 46.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 796 | N | 28.9 | Very low | 31.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -70.5 | 137.4 | 175.1 | -72.1 | -26.2 | 0 | 0 | 0 | 111.6 | H798 | N796-H798 PolarHBondContact O-N 2.86Š|
| 797 | S | 29 | Very low | 30.8 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -77.8 | 90.2 | 175.8 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 798 | H | 30.9 | Very low | 30.9 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | 49.8 | 132.7 | 148.4 | -77.6 | -95.2 | 0 | 0 | 0 | 121.9 | N796 | N796-H798 PolarHBondContact O-N 2.86Š|
| 799 | L | 28.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -80.9 | 122.1 | 165.2 | 178.8 | 72.5 | 0 | 0 | 0 | 111 | | |
| 800 | S | 29 | Very low | 31.1 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | -138.8 | 92 | 158.5 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 801 | T | 31.5 | Very low | 30.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | | 77.6 | 138.2 | 105.2 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 802 | F | 27 | Very low | 30.6 | Very low | 202 Ų | 202 | 137 Ų | 137 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | | | trans | -73.7 | 172.3 | -176.7 | -105.2 | -104.2 | 0 | 0 | 0 | 113.7 | | |
| 803 | Q | 31.8 | Very low | 30.5 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 77.2 | 100 | 158.1 | -77.1 | 169.2 | -14.3 | 0 | 0 | 119.2 | | |
| 804 | S | 30.7 | Very low | 30.4 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 38.3 | 118.1 | 123.2 | 56.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 805 | S | 31.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | 60.8 | 95.7 | 143 | 60.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 806 | A | 32.4 | Very low | 30.5 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | | -166.9 | 148.3 | 121.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 807 | T | 33.7 | Very low | 30.4 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 36.7 | 105.4 | 150.8 | 54.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 808 | L | 33.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | | 34.9 | 150.1 | 121.8 | -69.3 | 167.4 | 0 | 0 | 0 | 121.8 | | |
| 809 | P | 37.6 | Very low | 30.3 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | cis | -127.5 | 151.7 | 14.3 | 38.7 | -23.5 | 0 | 0 | 0 | 117.1 | | |
| 810 | N | 32.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 60% | 0.599 | 74% | 0.738 | S | S | * | * | | | trans | 39.4 | 114.5 | 138.8 | -50.7 | -6.2 | 0 | 0 | 0 | 118.3 | F812 | N810-F812 HydrophobicContact CB-CD2 4.44Š|
| 811 | N | 25.5 | Very low | 30.7 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | cis | 58.9 | 91.7 | 34.1 | -148.9 | 29.3 | 0 | 0 | 0 | 113.1 | | |
| 812 | F | 29.4 | Very low | 30.7 | Very low | 174 Ų | 174 | 131 Ų | 131 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | | | trans | -152.9 | 102.5 | 161.6 | -106.7 | -68.4 | 0 | 0 | 0 | 112.8 | N810 T814 | N810-F812 HydrophobicContact CB-CD2 4.44Å; F812-T814 WeakPolarHBondContact CD1-OG1 3.46Å |
| 813 | S | 24.9 | Very low | 30.9 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -101.9 | 107.9 | 144 | 46.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 814 | T | 29.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 58% | 0.577 | 73% | 0.729 | S | S | * | * | | | trans | -179.7 | 108.3 | 154.3 | 17.8 | 0 | 0 | 0 | 0 | 113.9 | F812 | F812-T814 WeakPolarHBondContact CD1-OG1 3.46Š|
| 815 | I | 29.1 | Very low | 31 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | | | trans | 60.8 | -162.3 | 137.3 | -42.8 | 163.4 | 0 | 0 | 0 | 114.6 | | |
| 816 | P | 33.2 | Very low | 31.2 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | | -97.6 | 155.2 | -90.9 | 33.8 | -25.3 | 0 | 0 | 0 | 116.7 | | |
| 817 | G | 27.4 | Very low | 31.4 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | trans | 71.8 | -180 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 818 | D | 25.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | cis | -163.9 | 171.9 | -18.7 | -148.3 | -31.3 | 0 | 0 | 0 | 108.3 | | |
| 819 | I | 32.6 | Very low | 31.8 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 64% | 0.641 | 73% | 0.731 | S | S | * | * | | | trans | 65.6 | 132.4 | 154.2 | -76.7 | 169 | 0 | 0 | 0 | 117.1 | | |
| 820 | K | 30.4 | Very low | 31.6 | Very low | 149 Ų | 149 | 127 Ų | 127 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | | | cis | -152.8 | 166.3 | -5.7 | -95.2 | 162.2 | -160.6 | 161.7 | 0 | 105.7 | | |
| 821 | Y | 34.3 | Very low | 31.6 | Very low | 202 Ų | 202 | 127.9 Ų | 127.9 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | | | cis | -144.8 | 130 | 37.2 | -77.4 | -96 | 0 | 0 | 0 | 109.2 | | |
| 822 | S | 31.4 | Very low | 32.1 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | | | | 74.8 | 139.5 | 95 | -54.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 823 | T | 32.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | | | cis | -177.4 | 160 | -11.6 | 27.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 824 | A | 31.7 | Very low | 32.3 | Very low | 87 Ų | 87 | 130 Ų | 130 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | | | cis | -177.2 | -177.6 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 825 | A | 33.5 | Very low | 32.4 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | | | trans | 71.3 | 153 | 170 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 826 | Q | 34.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | cis | -162.1 | 136.6 | -14 | -112.6 | 169.1 | -6.6 | 0 | 0 | 110.9 | | |
| 827 | L | 36.6 | Very low | 32.3 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | 32.9 | 161 | 137.7 | -61.7 | 169.6 | 0 | 0 | 0 | 123.2 | | |
| 828 | P | 42.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 139 Ų | 139 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | | | cis | -149.9 | -170.4 | -48.5 | 45 | -26.3 | 0 | 0 | 0 | 116.5 | | |
| 829 | L | 34.1 | Very low | 32.6 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | | | trans | 80.7 | 141.7 | 151.4 | -105.4 | 88.4 | 0 | 0 | 0 | 122.9 | | |
| 830 | G | 32.3 | Very low | 32.6 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | | | trans | 141.7 | 101.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 831 | T | 32.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -124.7 | 137.9 | -172 | 46.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 832 | Q | 35.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -164 | 161.2 | 160.8 | -66.5 | -53.3 | -1.6 | 0 | 0 | 108.8 | | |
| 833 | L | 31.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | | | cis | -165.9 | 161.7 | -40.2 | -129.5 | -176.7 | 0 | 0 | 0 | 108.8 | | |
| 834 | F | 27.9 | Very low | 32.6 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | 66.1 | 154.1 | 163.2 | -72.8 | -60.5 | 0 | 0 | 0 | 118 | | |
| 835 | I | 31.6 | Very low | 32.9 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | cis | -149.3 | 149.4 | 25.3 | -72.4 | -174.7 | 0 | 0 | 0 | 112.9 | | |
| 836 | L | 31.3 | Very low | 32.7 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | 64.3 | 119.7 | 155.1 | -74.1 | 167 | 0 | 0 | 0 | 126.9 | | |
| 837 | R | 28 | Very low | 33.3 | Very low | 232 Ų | 232 | 141.1 Ų | 141.1 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | | 75.4 | 161 | 129.7 | -82.3 | -170.8 | -178.7 | 161 | 0.9 | 122.3 | | |
| 838 | P | 34.3 | Very low | 33.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -128.7 | 172.1 | -137.7 | 45.4 | -33.9 | 0 | 0 | 0 | 117.8 | | |
| 839 | T | 26.9 | Very low | 32.6 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -170.3 | 177.2 | 141.5 | 8.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 840 | S | 31.5 | Very low | 32.5 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | 69.7 | 103.1 | 163.3 | 56.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 841 | K | 27.8 | Very low | 32.4 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | | 8.6 | 156.6 | 114.3 | -72.7 | -176.4 | 177.6 | -178.3 | 0 | 118.7 | | |
| 842 | P | 38.1 | Very low | 32.3 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | cis | -161.1 | -175.1 | 46.2 | 46.8 | -25.1 | 0 | 0 | 0 | 121.1 | | |
| 843 | N | 30.6 | Very low | 32.1 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 70.6 | 156.4 | 144.1 | -70.9 | -5.9 | 0 | 0 | 0 | 121.4 | | |
| 844 | I | 31.7 | Very low | 32.2 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | cis | -160.9 | 155.8 | -13.9 | -113.8 | 166.9 | 0 | 0 | 0 | 110.1 | | |
| 845 | I | 39.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | | | trans | -166.4 | 153.2 | 133.6 | -100 | 160.5 | 0 | 0 | 0 | 109.4 | | |
| 846 | N | 29.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -114.9 | -177 | -163.5 | -133.3 | -13.6 | 0 | 0 | 0 | 110.3 | | |
| 847 | P | 45.9 | Very low | 32.5 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | cis | -148.6 | 167 | 41.3 | 41.9 | -20.8 | 0 | 0 | 0 | 119.9 | | |
| 848 | T | 33.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | 63.2 | 141.7 | 151.7 | 46.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 849 | Y | 32.4 | Very low | 32.7 | Very low | 227 Ų | 227 | 137.5 Ų | 137.5 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | | | cis | -126.5 | -179.4 | 10.6 | -107.9 | -85.6 | 0 | 0 | 0 | 112.9 | | |
| 850 | F | 31.5 | Very low | 32.9 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | | | trans | -97.4 | 151.4 | -169.4 | -102.8 | -118.5 | 0 | 0 | 0 | 115.5 | | |
| 851 | N | 29.5 | Very low | 33 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | 28.2 | 144.9 | 133.4 | -63.7 | 5.3 | 0 | 0 | 0 | 120.9 | | |
| 852 | T | 31.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | | | cis | -164.6 | 164.5 | 8.8 | 4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 853 | S | 30.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | 66.4 | 140.3 | 159.1 | 52 | 0 | 0 | 0 | 0 | 121 | | |
| 854 | L | 33.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | -18.6 | 149.8 | 163.5 | -64.1 | 150.1 | 0 | 0 | 0 | 117.2 | | |
| 855 | P | 31.6 | Very low | 32.9 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | cis | -143.8 | -175.7 | 31.9 | 42.9 | -24.8 | 0 | 0 | 0 | 116.4 | | |
| 856 | V | 32.7 | Very low | 32.4 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 90% | 0.903 | 75% | 0.749 | S | S | * | * | | | trans | -139.5 | 98.3 | 157.7 | -178 | 0 | 0 | 0 | 0 | 110.7 | | |
| 857 | S | 32.3 | Very low | 32.3 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | trans | -167.8 | 100.3 | 161.2 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | I859 | S857-I859 WeakPolarHBondContact O-CD1 3.48Š|
| 858 | T | 31.5 | Very low | 31.5 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | trans | -147.1 | 102.7 | 167.6 | 13.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 859 | I | 34.9 | Very low | 31.1 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | cis | 88.2 | 118.3 | 50 | -63.8 | 163.5 | 0 | 0 | 0 | 112.2 | S857 | S857-I859 WeakPolarHBondContact O-CD1 3.48Š|
| 860 | N | 31.9 | Very low | 31 | Very low | 175 Ų | 175 | 128 Ų | 128 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | | | trans | -169.3 | 117.4 | 134.8 | -93.9 | -22.5 | 0 | 0 | 0 | 109 | | |
| 861 | G | 32.2 | Very low | 30.9 | Very low | 48 Ų | 48 | 125.1 Ų | 125.1 | 50% | 0.495 | 75% | 0.752 | S | S | . | * | | | cis | 173.3 | 159.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 862 | T | 33.1 | Very low | 30.9 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | 62.4 | 144 | 158.3 | 63.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 863 | F | 30.8 | Very low | 30.7 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | | | cis | -147.5 | 152.4 | 12.5 | -101.1 | -69.7 | 0 | 0 | 0 | 111.2 | | |
| 864 | N | 31.3 | Very low | 30.7 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | 49.8 | 151.1 | 145.3 | -65.4 | -4.8 | 0 | 0 | 0 | 122.5 | | |
| 865 | S | 32.1 | Very low | 30.5 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | | | cis | -173.7 | 141.7 | -18.1 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 866 | L | 28.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 123.3 Ų | 123.3 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | 60.5 | 140 | 143.9 | -68.1 | 167.6 | 0 | 0 | 0 | 123.3 | | |
| 867 | S | 27.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | 105.3 | 114.3 | 131.8 | 74.3 | 0 | 0 | 0 | 0 | 123 | | |
| 868 | V | 28.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 123.3 Ų | 123.3 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | | | | 81.9 | 137.5 | 118.9 | 170.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 869 | S | 26.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 82.1 | 140.9 | 154.9 | 74.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 870 | S | 30.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -141.5 | 105.1 | 169.9 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 871 | T | 28.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | | | trans | -159.6 | 149.6 | 176.7 | 19.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 872 | T | 30.9 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 58.3 | 118.6 | 155.2 | 51.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 873 | N | 27.1 | Very low | 29.5 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | | 35.4 | 137.4 | 115.4 | -57.7 | -4 | 0 | 0 | 0 | 119.5 | | |
| 874 | A | 29.8 | Very low | 29.3 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | cis | -166.9 | 169.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 875 | G | 30.3 | Very low | 29.1 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | trans | 145.6 | 83.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 876 | L | 30.6 | Very low | 29 | Very low | 155 Ų | 155 | 127 Ų | 127 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | | 70.2 | 92.1 | 107.1 | -69.9 | 171.1 | 0 | 0 | 0 | 114.2 | | |
| 877 | T | 30.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | | 76.1 | 140.8 | 93.8 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 878 | V | 30.4 | Very low | 28.9 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | cis | -157.7 | 135.3 | 15.6 | 103.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 879 | V | 27.7 | Very low | 28.8 | Very low | 102 Ų | 102 | 128 Ų | 128 | 62% | 0.618 | 75% | 0.745 | S | S | * | * | | | | 51.5 | 131.5 | 103.1 | 164.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 880 | F | 25.9 | Very low | 28.8 | Very low | 194 Ų | 194 | 130 Ų | 130 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | cis | -161.2 | -173.1 | -22.3 | -82.4 | -37.1 | 0 | 0 | 0 | 104.9 | | |
| 881 | A | 30.6 | Very low | 28.7 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | cis | -158.4 | 171.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 882 | N | 25.7 | Very low | 28.7 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | cis | 72.9 | 130.1 | 15.4 | -166 | 69.6 | 0 | 0 | 0 | 117.2 | | |
| 883 | P | 37.7 | Very low | 28.7 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | cis | -120.3 | 174.6 | -12.6 | 31.1 | -9.9 | 0 | 0 | 0 | 112.3 | | |
| 884 | N | 25.7 | Very low | 28.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | cis | 80.2 | 111.6 | 36.9 | -108.8 | -13.4 | 0 | 0 | 0 | 117.5 | | |
| 885 | H | 28.2 | Very low | 29 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 37.1 | 121.5 | 141.6 | -91.9 | -133.2 | 0 | 0 | 0 | 123.3 | | |
| 886 | K | 28.9 | Very low | 28.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | | 38.2 | 111.3 | 125.8 | -75.4 | -177.5 | 177.2 | 173.7 | 0 | 120 | | |
| 887 | N | 25.2 | Very low | 28.7 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | | 158.8 | 167.9 | 102.4 | -85.3 | -27.6 | 0 | 0 | 0 | 114.7 | | |
| 888 | F | 27.9 | Very low | 29 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | | | trans | 86.1 | 122.3 | 152.6 | -89 | -71.2 | 0 | 0 | 0 | 122.7 | | |
| 889 | S | 26.1 | Very low | 29 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | | | trans | 62.1 | 126 | 139.3 | 54.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 890 | D | 28 | Very low | 29.2 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | 75.1 | 127.5 | 130.1 | -57.8 | -20.5 | 0 | 0 | 0 | 123.4 | | |
| 891 | S | 27.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 33.7 | 125.7 | 145.4 | 64 | 0 | 0 | 0 | 0 | 120.6 | | |
| 892 | G | 29.3 | Very low | 29.5 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | 159.8 | 20.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | L894 | G892-L894 VanDerWaalsContact C-N 3.28Å; G892-L894 PolarHBondContact O-N 3.24Å |
| 893 | N | 30.3 | Very low | 29.7 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | | | trans | -73.9 | 79.7 | 175.2 | -88.3 | -6 | 0 | 0 | 0 | 112.2 | | |
| 894 | L | 29.5 | Very low | 29.4 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -104.9 | 138.3 | 153.1 | -83.3 | 174.4 | 0 | 0 | 0 | 109.4 | G892 | G892-L894 VanDerWaalsContact C-N 3.28Å; G892-L894 PolarHBondContact O-N 3.24Å |
| 895 | V | 32.9 | Very low | 29.6 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | -78.6 | 142.2 | -170.6 | 177 | 0 | 0 | 0 | 0 | 111.1 | | |
| 896 | F | 28.1 | Very low | 29.7 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -55.7 | 134 | 176.3 | -87.7 | -106.1 | 0 | 0 | 0 | 113.2 | | |
| 897 | L | 28.1 | Very low | 29.7 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -121.6 | 138.2 | 142.1 | -80 | 171.2 | 0 | 0 | 0 | 108.1 | | |
| 898 | P | 36.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -80.5 | 151.1 | -168.7 | 31.8 | -35.9 | 0 | 0 | 0 | 113.7 | | |
| 899 | T | 28.8 | Very low | 30.3 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -76.6 | 136.1 | 178.8 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 900 | V | 32.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | trans | -136.6 | 144.8 | 145.4 | -170.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 901 | S | 30.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -96.4 | 134.6 | -165.9 | -166.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 902 | S | 31.7 | Very low | 30.5 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | trans | 45.1 | 121.2 | 142 | 63.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 903 | K | 30.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | | | | -164.2 | 139.5 | 121.3 | -109.8 | 170.9 | -178.5 | 177.5 | 0 | 114.2 | I62 | I62-K903 HydrophobicContact CD1-CG 4.18Å; I62-K903 HydrophobicContact CG1-CG 4.46Å; I62-K903 HydrophobicContact CG2-CB 4.45Å; I62-K903 HydrophobicContact CG2-CD 3.77Å; I62-K903 HydrophobicContact CG2-CG 3.85Å |
| 904 | S | 31.6 | Very low | 31.1 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 46% | 0.455 | 76% | 0.758 | S | S | . | * | | | trans | 55 | 120.4 | 156.6 | 47.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 905 | N | 29.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 56% | 0.556 | 75% | 0.753 | S | S | * | * | | | trans | 63.4 | 117.2 | 137.3 | -50.4 | -0.7 | 0 | 0 | 0 | 117.9 | S61 | S61-N905 PolarHBondContact OG-ND2 2.83Š|
| 906 | I | 30.1 | Very low | 31 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | | 69 | 96.4 | 51.9 | -53.8 | 175.7 | 0 | 0 | 0 | 112.7 | | |
| 907 | F | 28.5 | Very low | 31 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | | 36.2 | 154.8 | 120 | -75.3 | -79 | 0 | 0 | 0 | 120.5 | L909 | F907-L909 HydrophobicContact CD1-CD1 4.37Å; F907-L909 HydrophobicContact CE1-CD1 4.04Å; F907-L909 HydrophobicContact CE1-CG 4.44Å |
| 908 | P | 39.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | cis | -132.9 | 170 | 27.8 | 38.1 | -19 | 0 | 0 | 0 | 119 | | |
| 909 | L | 26.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 122 Ų | 122 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | | | trans | -63.4 | 151.3 | 162.3 | -63 | 138.3 | 0 | 0 | 0 | 111.1 | F907 | F907-L909 HydrophobicContact CD1-CD1 4.37Å; F907-L909 HydrophobicContact CE1-CD1 4.04Å; F907-L909 HydrophobicContact CE1-CG 4.44Å |
| 910 | C | 27 | Very low | 31 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | | | | -148.7 | 148.8 | 125.7 | -108.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 911 | A | 28.1 | Very low | 30.9 | Very low | 89 Ų | 89 | 118 Ų | 118 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | | | trans | -134.8 | 146.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 912 | T | 31.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 119 Ų | 119 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | | | trans | -178.5 | 127.3 | 136.1 | 33.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 913 | D | 35.4 | Very low | 31.1 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | | | trans | -66.7 | 165.6 | 164.5 | -51.7 | -85.3 | 0 | 0 | 0 | 110.8 | | |
| 914 | P | 36.4 | Very low | 31 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | | -146.5 | 140.4 | 93.5 | 36.4 | -19.9 | 0 | 0 | 0 | 116.9 | | |
| 915 | L | 28.5 | Very low | 30.8 | Very low | 145 Ų | 145 | 118 Ų | 118 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | | | trans | 56.9 | 124.6 | 132.6 | -61 | 174.7 | 0 | 0 | 0 | 121.9 | | |
| 916 | T | 30.7 | Very low | 30.8 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | 71.7 | 148 | 137.3 | 58.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 917 | S | 28.9 | Very low | 30.9 | Very low | 91 Ų | 91 | 122 Ų | 122 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | cis | -173.2 | 176.7 | -22.7 | 53.9 | 0 | 0 | 0 | 0 | 110 | | |
| 918 | I | 31.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 119 Ų | 119 | 65% | 0.651 | 72% | 0.717 | S | S | * | * | | | trans | 59.2 | 150.4 | 167.3 | 16 | 175.2 | 0 | 0 | 0 | 116.8 | | |
| 919 | F | 31.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 37% | 0.368 | 71% | 0.711 | S | S | . | * | | | cis | -136.9 | 130 | 5.4 | -92.9 | -77.4 | 0 | 0 | 0 | 107.2 | S1168 | F919-S1168 VanDerWaalsContact CE2-OG 3.27Å; F919-S1168 WeakPolarHBondContact CE2-OG 3.46Å |
| 920 | S | 31 | Very low | 31.2 | Very low | 91 Ų | 91 | 115.4 Ų | 115.4 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | | 77.5 | 162.7 | 83.9 | 90.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 921 | T | 31.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | | | cis | -158.9 | 174 | 7.9 | -15.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 922 | T | 33.5 | Very low | 31.9 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | | | trans | 64.3 | 142.3 | 153.1 | 48.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 923 | S | 31.3 | Very low | 31.9 | Very low | 93 Ų | 93 | 112.8 Ų | 112.8 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | | | cis | -159.5 | 141.5 | -1.3 | -107.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 924 | S | 29.2 | Very low | 31.8 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | | | | 51.9 | 128.5 | 75.1 | 82.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 925 | A | 27.8 | Very low | 31.5 | Very low | 82 Ų | 82 | 112.2 Ų | 112.2 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | | | cis | -167.3 | -166.8 | -3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 926 | F | 29.2 | Very low | 31.8 | Very low | 195 Ų | 195 | 110 Ų | 110 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | | | trans | 84.4 | 138.2 | 161.3 | -74.6 | -79.3 | 0 | 0 | 0 | 121.8 | | |
| 927 | I | 32.4 | Very low | 31.8 | Very low | 140 Ų | 140 | 109.4 Ų | 109.4 | 72% | 0.718 | 67% | 0.666 | S | S | * | * | | | trans | 82.5 | 85.8 | 143.6 | -69.9 | 164.4 | 0 | 0 | 0 | 119.2 | | |
| 928 | T | 31.8 | Very low | 32.1 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | | | | 52.7 | 127.2 | 126.7 | 63.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 929 | T | 33.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | | | trans | 67.9 | 139.7 | 132.6 | 58 | 0 | 0 | 0 | 0 | 122.3 | T1199 | T929-T1199 HydrophobicContact CG2-CG2 4.13Š|
| 930 | T | 35.6 | Very low | 32.4 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 49% | 0.485 | 70% | 0.698 | S | S | . | * | | | cis | 179.8 | 160.5 | -39.6 | 15 | 0 | 0 | 0 | 0 | 109.8 | S1198 T1199 | T930-S1198 VanDerWaalsContact CB-O 3.31Å; T930-S1198 WeakPolarHBondContact CB-O 3.39Å; T930-S1198 PolarHBondContact OG1-O 2.81Å; T930-T1199 WeakPolarHBondContact CB-OG1 3.31Å; T930-T1199 PolarHBondContact O-OG1 2.82Å; T930-T1199 VanDerWaalsContact O-OG1 3.05Å; T930-T1199 WeakPolarHBondContact OG1-CG2 2.9Å; T930-T1199 PolarHBondContact OG1-OG1 2.94Å |
| 931 | T | 35.1 | Very low | 32.4 | Very low | 73 Ų | 73 | 111.8 Ų | 111.8 | 45% | 0.448 | 70% | 0.701 | S | S | . | * | | | trans | 57.6 | 168.2 | 159.8 | 60.1 | 0 | 0 | 0 | 0 | 119.3 | T1199 | T931-T1199 VanDerWaalsContact CG2-N 3.27Å; T931-T1199 PolarHBondContact OG1-N 3.19Å; T931-T1199 PolarHBondContact OG1-O 2.8Å; T931-T1199 PolarHBondContact OG1-OG1 3.09Å |
| 932 | T | 33.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 110.8 Ų | 110.8 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | | | cis | -159.9 | 152 | -27.6 | 34.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 933 | T | 31.6 | Very low | 32.2 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | | | | 174.8 | 179.2 | 78.6 | 39.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 934 | L | 32.6 | Very low | 32.1 | Very low | 149 Ų | 149 | 113.5 Ų | 113.5 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | | | trans | 89 | 112.6 | 145 | -83.4 | 165.2 | 0 | 0 | 0 | 121 | | |
| 935 | S | 30.9 | Very low | 32 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | | | trans | 69.2 | 146.4 | 148.3 | 23.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 936 | S | 34.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 116.1 Ų | 116.1 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | | | cis | -166.5 | 146.6 | -4.9 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 937 | S | 32 | Very low | 32 | Very low | 117 Ų | 117 | 112.2 Ų | 112.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | 58.8 | 149.5 | 148.4 | 61.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 938 | S | 34 | Very low | 31.9 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | | | cis | -149.4 | 136.4 | 13.4 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 939 | S | 26.8 | Very low | 31.6 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | trans | -81.9 | -163.6 | 153.1 | -29.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 940 | P | 41.5 | Very low | 31.3 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | cis | -122.3 | -152.3 | 8.2 | 36.9 | -13 | 0 | 0 | 0 | 110.9 | | |
| 941 | S | 32.1 | Very low | 31 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | cis | -169.5 | 167 | 14.4 | 12.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 942 | S | 31.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | cis | 173.7 | 140 | -30.8 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 943 | L | 28.9 | Very low | 30.2 | Very low | 172 Ų | 172 | 121.3 Ų | 121.3 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | | | trans | 66 | 160.9 | 160.6 | -56.9 | 157.9 | 0 | 0 | 0 | 115.5 | | |
| 944 | S | 30.3 | Very low | 30 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | cis | -139.5 | 160.6 | 1.3 | 61 | 0 | 0 | 0 | 0 | 113.6 | | |
| 945 | S | 26.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -42.1 | 160.3 | 152.2 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 946 | T | 29.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | | -142.1 | 163.1 | 67.4 | 47.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 947 | S | 26.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -132 | 153.5 | 170.2 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 948 | S | 30.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -175.8 | 148 | 142.1 | 47.4 | 0 | 0 | 0 | 0 | 111 | | |
| 949 | S | 26.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -127.9 | 159.7 | 174.2 | 52.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 950 | S | 26.9 | Very low | 28.6 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -94.6 | 142.5 | -179.8 | 52 | 0 | 0 | 0 | 0 | 112.7 | | |
| 951 | S | 28.8 | Very low | 28.1 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -178.8 | 141.9 | 135.3 | 31 | 0 | 0 | 0 | 0 | 114.9 | | |
| 952 | S | 28.2 | Very low | 27.9 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | 65.6 | 118 | 143.6 | 59.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 953 | W | 25.6 | Very low | 27.8 | Very low | 232 Ų | 232 | 133.2 Ų | 133.2 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | | 94.6 | 113 | 121 | -81.5 | 44.3 | 0 | 0 | 0 | 122.4 | | |
| 954 | T | 26.2 | Very low | 28 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | | | trans | 72.7 | 127.8 | 132.2 | 56.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 955 | H | 25.5 | Very low | 28 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | trans | 52.4 | 107 | 153.8 | -66.3 | -71.3 | 0 | 0 | 0 | 119.2 | | |
| 956 | I | 27.5 | Very low | 28.3 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | | -148.3 | 133 | 86.9 | -89.2 | 153.1 | 0 | 0 | 0 | 108.7 | | |
| 957 | S | 25.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -139.6 | 107.2 | 169.6 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 958 | T | 28.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | 170.2 | 75.5 | 153.6 | 27.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 959 | L | 24.6 | Very low | 28.7 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | | -88.3 | 147.2 | 123.5 | -67.1 | 166.4 | 0 | 0 | 0 | 104.5 | | |
| 960 | T | 30.2 | Very low | 28.8 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | cis | -140.9 | 161.2 | 38.3 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 961 | S | 30.1 | Very low | 28.8 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | 47.5 | 104.8 | 146.5 | 58.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 962 | H | 28.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | -59.5 | 152.8 | 139 | -92.2 | -69.5 | 0 | 0 | 0 | 110.1 | I964 | H962-I964 WeakPolarHBondContact ND1-CD1 3.47Š|
| 963 | D | 28.7 | Very low | 28.9 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | | -137.6 | 144.8 | 123 | -93.6 | -49.3 | 0 | 0 | 0 | 109.5 | | |
| 964 | I | 32.9 | Very low | 29.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 59% | 0.59 | 75% | 0.751 | S | S | * | * | | | trans | -143.5 | 130.1 | 179.7 | -69 | -179.1 | 0 | 0 | 0 | 108.7 | H962 T966 | H962-I964 WeakPolarHBondContact ND1-CD1 3.47Å; I964-T966 HydrophobicContact CG2-CG2 4.4Å |
| 965 | N | 30.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | | | trans | -165 | 142.7 | 147.3 | -100.1 | -10.2 | 0 | 0 | 0 | 108.7 | F1072 | N965-F1072 WeakPolarHBondContact ND2-CZ 3.47Š|
| 966 | T | 33.8 | Very low | 29.3 | Very low | 103 Ų | 103 | 130 Ų | 130 | 63% | 0.632 | 75% | 0.751 | S | S | * | * | | | cis | 174.6 | 135.9 | -28 | 21.6 | 0 | 0 | 0 | 0 | 105.2 | I964 | I964-T966 HydrophobicContact CG2-CG2 4.4Š|
| 967 | L | 30.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | trans | -157.4 | 98.8 | 154.9 | -106.5 | 176.7 | 0 | 0 | 0 | 111.4 | | |
| 968 | V | 32.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 128 Ų | 128 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | | | trans | 41.3 | 114.9 | 140.6 | -174.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 969 | S | 31.3 | Very low | 29.6 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | | -162.6 | 158.8 | 88.9 | -67.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 970 | N | 29.2 | Very low | 29.9 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | | | trans | -112.1 | 154.9 | -168.4 | -81.7 | -21 | 0 | 0 | 0 | 116.6 | | |
| 971 | S | 27.9 | Very low | 29.8 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -16.7 | 143.6 | 162 | 59.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 972 | T | 30.6 | Very low | 29.8 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | -163.7 | 119.5 | 133.9 | 31.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 973 | T | 27.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | | 65.2 | 150.3 | 80 | 63.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 974 | L | 31.5 | Very low | 30 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | | | trans | 86 | 142.2 | 179.5 | -55.1 | 176.7 | 0 | 0 | 0 | 116 | | |
| 975 | N | 28.4 | Very low | 29.9 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | -156.3 | 173.2 | -29.9 | -138.2 | 3.2 | 0 | 0 | 0 | 111.9 | | |
| 976 | S | 25.7 | Very low | 29.9 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | -53.1 | 140.3 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 117 | | |
| 977 | S | 30.2 | Very low | 29.8 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | | -167.2 | 157.4 | 130 | -83.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 978 | S | 26.4 | Very low | 29.6 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -81.7 | 172.9 | -169.4 | 46.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 979 | V | 30.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | 127.5 | 106.8 | 147.8 | 176 | 0 | 0 | 0 | 0 | 116.2 | | |
| 980 | T | 30.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | trans | 54.9 | 104.4 | 153 | 58.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 981 | T | 28.3 | Very low | 29.1 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | | 54.5 | 119.3 | 124.9 | 60.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 982 | A | 30.5 | Very low | 29.1 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | | -159.9 | 112.1 | 117.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 983 | N | 29.8 | Very low | 29.1 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | 49 | 120.5 | 138.7 | -60.8 | -6.2 | 0 | 0 | 0 | 124 | | |
| 984 | T | 31 | Very low | 29.1 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 60.6 | 141.6 | 130.3 | 61.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 985 | S | 31.9 | Very low | 29.2 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | cis | -164.3 | -178.1 | -5.4 | 56.1 | 0 | 0 | 0 | 0 | 107 | | |
| 986 | N | 30.8 | Very low | 29.4 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | cis | -164 | 148.3 | 15.9 | -159.2 | -8.5 | 0 | 0 | 0 | 109.7 | | |
| 987 | M | 30.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 77% | 0.768 | 80% | 0.795 | S | S | * | * | | | trans | 169.9 | 140.4 | 143.7 | -98.8 | -62.2 | -171.5 | 0 | 0 | 112.5 | | |
| 988 | N | 26.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 54.5 | 105.2 | 160.4 | -60.5 | -29.2 | 0 | 0 | 0 | 119.8 | | |
| 989 | F | 28.6 | Very low | 29.8 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | | -155.2 | 159.7 | 120.3 | -114 | -75.7 | 0 | 0 | 0 | 110.6 | | |
| 990 | R | 24.4 | Very low | 29.9 | Very low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | | | trans | -147.9 | 98.1 | -174.3 | -173.8 | -167.6 | -164.3 | -152.1 | 5 | 111.5 | | |
| 991 | T | 28.9 | Very low | 30 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -177.9 | 117.2 | 158.6 | 32.1 | 0 | 0 | 0 | 0 | 112 | | |
| 992 | S | 28.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -178.2 | 123.1 | 152.7 | -81 | 0 | 0 | 0 | 0 | 103.4 | | |
| 993 | V | 29.7 | Very low | 29.9 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | cis | 60.1 | 89.9 | 37.5 | -166.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 994 | D | 29.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | | -165.6 | -178.8 | 90.1 | -131.4 | -43.4 | 0 | 0 | 0 | 113.4 | | |
| 995 | T | 33.2 | Very low | 30.4 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | 81.5 | 145.7 | 173.5 | 69.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 996 | L | 31.3 | Very low | 30.2 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -119.5 | 163 | -161 | -67.4 | 154.5 | 0 | 0 | 0 | 111.9 | | |
| 997 | N | 33.8 | Very low | 30.1 | Very low | 171 Ų | 171 | 146 Ų | 146 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -162.3 | 125.5 | 137 | -106.2 | -17.9 | 0 | 0 | 0 | 110.9 | | |
| 998 | D | 26.1 | Very low | 30.3 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | | | trans | -100.9 | 152.9 | 176.5 | -73.6 | -62.1 | 0 | 0 | 0 | 111.8 | | |
| 999 | T | 32.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | | | trans | 173.2 | 141.5 | 151.3 | 20.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1000 | S | 32.5 | Very low | 31.3 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | | | cis | -155.1 | 159.7 | -5.3 | 49.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1001 | L | 32.2 | Very low | 31.7 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | | -164.3 | -174.7 | 72.7 | -88.5 | 171.7 | 0 | 0 | 0 | 112.3 | | |
| 1002 | S | 29.3 | Very low | 32.3 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | trans | -118.9 | 160.4 | -155.7 | -54.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1003 | F | 27.6 | Very low | 32.6 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | | | trans | -35.7 | 161.1 | 146.3 | -75.1 | -82.1 | 0 | 0 | 0 | 114.4 | | |
| 1004 | P | 39.8 | Very low | 32.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | | | cis | -142.3 | -173.2 | 45.7 | 42.6 | -20.3 | 0 | 0 | 0 | 114.2 | | |
| 1005 | L | 30.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | | | cis | -151.6 | 151.2 | 41.7 | -109.3 | 142.5 | 0 | 0 | 0 | 113.6 | | |
| 1006 | T | 28.1 | Very low | 32.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | | | trans | -118.2 | 144.3 | 173.9 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1007 | L | 29.2 | Very low | 32.4 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | | | trans | -146.5 | 136.5 | 152.9 | -86 | 177.9 | 0 | 0 | 0 | 108.1 | | |
| 1008 | L | 34.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 70% | 0.704 | S | S | * | * | | | trans | -158.8 | 47.5 | -159.7 | -157.5 | 80.6 | 0 | 0 | 0 | 117.2 | Q216 F217 | Q216-L1008 VanDerWaalsContact NE2-C 3.25Å; F217-L1008 VanDerWaalsContact CA-O 3.27Å; F217-L1008 WeakPolarHBondContact CA-O 3.29Å; F217-L1008 VanDerWaalsContact CD2-O 3.27Å; F217-L1008 WeakPolarHBondContact CD2-O 3.16Å; F217-L1008 PolarHBondContact N-O 3.28Å |
| 1009 | P | 44.7 | Very low | 32.2 | Very low | 69 Ų | 69 | 124.5 Ų | 124.5 | 45% | 0.448 | 71% | 0.708 | S | S | . | * | | | trans | -78.1 | 127 | -162.3 | 2 | -1 | 0 | 0 | 0 | 124.8 | V215 Q216 F217 | V215-P1009 CarbonylContact C-O 2.91Å; V215-P1009 WeakPolarHBondContact CA-O 3.29Å; V215-P1009 WeakPolarHBondContact CB-O 3.31Å; V215-P1009 HydrophobicContact CG2-CB 4.11Å; V215-P1009 VanDerWaalsContact CG2-O 3.31Å; V215-P1009 WeakPolarHBondContact CG2-O 3.33Å; Q216-P1009 CarbonylContact C-O 3.3Å; Q216-P1009 WeakPolarHBondContact CA-O 3.26Å; Q216-P1009 VanDerWaalsContact CB-C 3.45Å; Q216-P1009 WeakPolarHBondContact CB-O 3.41Å; Q216-P1009 HydrophobicContact CG-CB 3.89Å; Q216-P1009 HydrophobicContact CG-CG 3.68Å; Q216-P1009 WeakPolarHBondContact CG-O 3.35Å; Q216-P1009 PolarHBondContact N-O 3.15Å; Q216-P1009 VanDerWaalsContact N-O 3.15Å; Q216-P1009 PolarHBondContact OE1-O 3.38Å; F217-P1009 VanDerWaalsContact CD2-C 3.47Å; F217-P1009 VanDerWaalsContact CD2-CA 3.49Å |
| 1010 | N | 30.2 | Very low | 32 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 37% | 0.369 | 70% | 0.703 | S | S | . | * | | | trans | 60.5 | 133.1 | 155.5 | -58.3 | -16 | 0 | 0 | 0 | 118 | V215 Q216 F217 | V215-N1010 CarbonylContact C-O 3.33Å; V215-N1010 HydrophobicContact CB-CB 4.28Å; V215-N1010 VanDerWaalsContact CG1-C 3.47Å; V215-N1010 HydrophobicContact CG1-CB 3.76Å; V215-N1010 WeakPolarHBondContact CG1-O 3.17Å; V215-N1010 HydrophobicContact CG2-CB 3.71Å; Q216-N1010 CarbonylContact C-O 3.53Å; Q216-N1010 VanDerWaalsContact CA-O 3.31Å; Q216-N1010 WeakPolarHBondContact CA-O 3.46Å; Q216-N1010 PolarHBondContact N-O 3.41Å; Q216-N1010 CarbonylContact O-C 3.58Å; F217-N1010 VanDerWaalsContact CB-N 3.26Å; F217-N1010 WeakPolarHBondContact CZ-OD1 3.48Å |
| 1011 | T | 34.1 | Very low | 32 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | | | cis | 96 | 158.9 | 33.7 | 63 | 0 | 0 | 0 | 0 | 114.9 | F217 | F217-T1011 HydrophobicContact CB-CG2 4.06Å; F217-T1011 HydrophobicContact CD1-CG2 3.2Å; F217-T1011 HydrophobicContact CE1-CG2 3.8Å; F217-T1011 HydrophobicContact CG-CG2 3.89Å |
| 1012 | P | 41.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | cis | -141.9 | -154.9 | -31.4 | 36.9 | -16.4 | 0 | 0 | 0 | 113 | | |
| 1013 | Q | 34.7 | Very low | 32.1 | Very low | 160 Ų | 160 | 128.4 Ų | 128.4 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | 111.1 | 139.8 | 168.4 | -62.1 | -170.3 | 35.3 | 0 | 0 | 113.6 | | |
| 1014 | Q | 33.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | | | cis | -154.2 | 176.5 | -2.8 | -125.7 | 177.2 | 30.3 | 0 | 0 | 113.2 | | |
| 1015 | T | 29.8 | Very low | 31.7 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | | | trans | -29.8 | 140.5 | 167.9 | 38.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1016 | V | 27.5 | Very low | 31.6 | Very low | 133 Ų | 133 | 122 Ų | 122 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | | | | 79.7 | 147.6 | 60.9 | 175.3 | 0 | 0 | 0 | 0 | 114 | | |
| 1017 | V | 28.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 75% | 0.745 | 70% | 0.704 | S | S | * | * | | | trans | 102.5 | 93.7 | 174.3 | -168.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1018 | L | 28.2 | Very low | 31.4 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | | | | 34.2 | 111.4 | 128.5 | -61.3 | 168.3 | 0 | 0 | 0 | 123 | | |
| 1019 | S | 26.5 | Very low | 31 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | | 84.2 | 143.2 | 117 | 76.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1020 | S | 29.9 | Very low | 30.3 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | | | trans | 82.8 | 78.9 | 151.1 | 69.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1021 | Q | 32.7 | Very low | 30.4 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | | | | -109.1 | 121.7 | 121 | -74.7 | -177.9 | 2.5 | 0 | 0 | 106 | | |
| 1022 | S | 32.9 | Very low | 30.4 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | cis | 90.1 | 56.1 | 49.5 | 79.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1023 | L | 31.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 90% | 0.901 | 73% | 0.734 | S | S | * | * | | | trans | -157 | 169.7 | 152.9 | -111 | 165.7 | 0 | 0 | 0 | 110.9 | | |
| 1024 | A | 30.9 | Very low | 29.5 | Very low | 77 Ų | 77 | 123.4 Ų | 123.4 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | trans | -28.6 | 131.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1025 | S | 27.8 | Very low | 29.3 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | | 49.9 | 106.9 | 74.1 | -57 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1026 | L | 26.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 125.2 Ų | 125.2 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | | 131.3 | 163.7 | 60.4 | -106.7 | 169.7 | 0 | 0 | 0 | 105.1 | | |
| 1027 | T | 24 | Very low | 29.4 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | | | trans | -29.8 | 158.4 | 171.5 | 50.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1028 | S | 29.4 | Very low | 29.3 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | 85 | 135.2 | 178.8 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1029 | S | 26.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | cis | 127.9 | 169.4 | 1.7 | -79 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1030 | N | 31.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | trans | 86.8 | 126.3 | 166.1 | -68.7 | 48.1 | 0 | 0 | 0 | 116.8 | | |
| 1031 | D | 31.6 | Very low | 29.8 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | | | cis | -135.2 | 136.1 | -7.8 | -84.3 | -47.1 | 0 | 0 | 0 | 111.3 | | |
| 1032 | N | 33.5 | Very low | 29.9 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 56% | 0.561 | 73% | 0.725 | S | S | * | * | | | cis | 78.9 | 152.2 | 46.5 | -60.3 | -32.5 | 0 | 0 | 0 | 111.5 | | |
| 1033 | N | 27.8 | Very low | 29.7 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | cis | -129 | 135.9 | 35.8 | -90.5 | -57.6 | 0 | 0 | 0 | 117.7 | | |
| 1034 | S | 29.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | | | trans | -80.3 | 144.2 | 145.7 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1035 | N | 28.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 14.1 | 112.8 | 157 | -57.4 | -20.8 | 0 | 0 | 0 | 120.5 | | |
| 1036 | N | 28.5 | Very low | 29.6 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | | | trans | 65.1 | 133.4 | 135.2 | -83.6 | -9.6 | 0 | 0 | 0 | 123.1 | | |
| 1037 | L | 30.3 | Very low | 30 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | | | trans | 77.3 | 116.1 | 157.3 | -85.7 | 81.5 | 0 | 0 | 0 | 121.1 | | |
| 1038 | F | 28.5 | Very low | 30.3 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | | | trans | 93.4 | 107.4 | 132.2 | -89.1 | -131.6 | 0 | 0 | 0 | 122.4 | | |
| 1039 | I | 31.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | | | trans | 84 | 94.9 | 135.8 | -60.4 | -176.7 | 0 | 0 | 0 | 119.7 | | |
| 1040 | S | 30.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | | 80.9 | 133.8 | 123.2 | -162.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1041 | S | 33.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | trans | 64.1 | 145 | 145.5 | 47.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1042 | Q | 33.7 | Very low | 30.5 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | cis | -165.8 | 133.8 | -31.2 | -130.2 | -176.5 | 35.1 | 0 | 0 | 110.4 | | |
| 1043 | N | 29.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | 49.3 | 113.5 | 149.9 | -64.5 | -10 | 0 | 0 | 0 | 124.5 | | |
| 1044 | F | 28 | Very low | 30.5 | Very low | 173 Ų | 173 | 133 Ų | 133 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | | 67 | 110.1 | 126.4 | -78.2 | -86.3 | 0 | 0 | 0 | 124.4 | | |
| 1045 | N | 28.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | | 24.6 | 139.3 | 120.9 | -51.8 | -8.3 | 0 | 0 | 0 | 121.8 | | |
| 1046 | T | 31.3 | Very low | 30.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.693 | 75% | 0.754 | S | S | * | * | | | | -174.6 | 166.6 | 111.4 | 22.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1047 | H | 34.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | | | | -166.6 | 154.3 | 61.5 | -78.5 | -83.9 | 0 | 0 | 0 | 110.9 | | |
| 1048 | A | 31.2 | Very low | 30.7 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -160 | 140.2 | -11.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1049 | F | 27.8 | Very low | 30.6 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | S | Bend | | 177.7 | 115.9 | 119.4 | -108 | -78.7 | 0 | 0 | 0 | 109.7 | | |
| 1050 | I | 29.4 | Very low | 30.4 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | 62.4 | 135.7 | 168.5 | -41.3 | -179.3 | 0 | 0 | 0 | 116.5 | | |
| 1051 | S | 28.6 | Very low | 30.2 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | cis | -170.6 | 157.9 | -42.9 | -95.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1052 | P | 36.4 | Very low | 30.1 | Very low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -129.1 | -164 | -151 | 41.7 | -26.1 | 0 | 0 | 0 | 115.9 | | |
| 1053 | S | 29.1 | Very low | 29.8 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 101 | 150.5 | 160.9 | -33.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1054 | A | 33.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | cis | -146.2 | 166.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1055 | T | 31.2 | Very low | 29.8 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | -128.8 | 141.5 | 178.3 | 38.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1056 | T | 31.1 | Very low | 29.9 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -157.9 | 156.4 | 171 | 47.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1057 | L | 30.8 | Very low | 29.8 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | cis | -150.6 | -176.2 | -18.2 | -122.3 | 172.9 | 0 | 0 | 0 | 108.7 | | |
| 1058 | S | 27.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | -119.2 | 139.3 | -168.5 | 59.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1059 | A | 27.2 | Very low | 29.2 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | trans | 62.1 | 134.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1060 | S | 26.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | 58.4 | 136.1 | 150.8 | 60.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1061 | S | 27.7 | Very low | 29.3 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | cis | -164.8 | 177.4 | 31.8 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1062 | S | 31.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | 61.5 | 126.6 | 170 | 51.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1063 | S | 27.4 | Very low | 28.9 | Very low | 106 Ų | 106 | 115.7 Ų | 115.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | cis | 62.9 | 138.5 | 45.5 | 90.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1064 | M | 29.2 | Very low | 28.9 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | | | cis | -132.2 | 156.1 | 13 | -69.6 | -177.2 | 60.5 | 0 | 0 | 110.3 | | |
| 1065 | S | 27.7 | Very low | 28.6 | Very low | 88 Ų | 88 | 118.3 Ų | 118.3 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | | 43.1 | 151.6 | 98.4 | 98.9 | 0 | 0 | 0 | 0 | 116 | | |
| 1066 | S | 31 | Very low | 28.6 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | cis | -153.4 | 148.8 | 26.9 | -28.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1067 | S | 28 | Very low | 28.4 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | | 67.7 | 155.1 | 100 | -48.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1068 | S | 28.1 | Very low | 28.5 | Very low | 106 Ų | 106 | 116.3 Ų | 116.3 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | cis | -153.7 | 164.5 | 17.2 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1069 | C | 24.6 | Very low | 28.5 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | | | trans | -6 | 147.4 | 152.4 | -43 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1070 | V | 32.2 | Very low | 28.8 | Very low | 146 Ų | 146 | 117.7 Ų | 117.7 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | | | | -171.7 | 152.1 | 115.2 | 144.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1071 | S | 27.4 | Very low | 28.7 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | trans | -91.4 | 153.5 | 179 | -45.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1072 | F | 29.8 | Very low | 28.8 | Very low | 144 Ų | 144 | 119 Ų | 119 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | | | | 169.8 | 138.6 | 114.3 | -103.2 | -77.9 | 0 | 0 | 0 | 113.8 | N965 | N965-F1072 WeakPolarHBondContact ND2-CZ 3.47Š|
| 1073 | D | 26.9 | Very low | 28.7 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | | | trans | 50.6 | 124.5 | 144.1 | -83.7 | 29.3 | 0 | 0 | 0 | 126.4 | | |
| 1074 | N | 28.6 | Very low | 28.9 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | | | | 81.4 | 122.2 | 128.2 | -84.6 | -55.5 | 0 | 0 | 0 | 123.2 | | |
| 1075 | N | 27.4 | Very low | 29.1 | Very low | 145 Ų | 145 | 119 Ų | 119 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | | | trans | 77.5 | 146.1 | 148.6 | -72.5 | -43.2 | 0 | 0 | 0 | 121.7 | | |
| 1076 | S | 31.4 | Very low | 29.4 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | 81.9 | 113.3 | 170.1 | -51.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1077 | L | 27.1 | Very low | 29.4 | Very low | 163 Ų | 163 | 119.8 Ų | 119.8 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | | | trans | -54.1 | 162.5 | 144.5 | -78.4 | 87.6 | 0 | 0 | 0 | 110.5 | | |
| 1078 | P | 31.6 | Very low | 29.6 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | cis | -135.7 | 165.9 | 17 | 43.7 | -28.2 | 0 | 0 | 0 | 116.6 | | |
| 1079 | S | 27.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 121 Ų | 121 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | | | trans | -67.1 | 176.5 | 153.5 | -30.7 | 0 | 0 | 0 | 0 | 111 | | |
| 1080 | P | 34.4 | Very low | 30 | Very low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | | | cis | -140.4 | 149.7 | 0.3 | 42.3 | -24.5 | 0 | 0 | 0 | 116.8 | | |
| 1081 | S | 25 | Very low | 30 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 69% | 0.685 | 72% | 0.72 | S | S | * | * | | | | 58.3 | 162.5 | 127.6 | 79.9 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1082 | I | 28.2 | Very low | 30.2 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | trans | 73.5 | 117.4 | 160.7 | -55.8 | 164.4 | 0 | 0 | 0 | 118.3 | | |
| 1083 | S | 29.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | trans | -176.7 | 150.9 | 138.8 | 31.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1084 | C | 30.8 | Very low | 30.6 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | | | cis | -151.8 | -166 | -19.7 | -100.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1085 | L | 34.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | cis | -164.7 | 161.5 | 36.2 | -66.6 | 158.1 | 0 | 0 | 0 | 106.1 | | |
| 1086 | N | 33.7 | Very low | 30.7 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | cis | -159.4 | 162.4 | -5.3 | -110.9 | -10.7 | 0 | 0 | 0 | 107.9 | | |
| 1087 | G | 30.6 | Very low | 30.5 | Very low | 56 Ų | 56 | 125.1 Ų | 125.1 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | | | cis | 164.3 | 178.4 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1088 | S | 33.6 | Very low | 30.8 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | 68 | 132 | 170.4 | -55.2 | 0 | 0 | 0 | 0 | 117 | | |
| 1089 | L | 31 | Very low | 30.8 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | cis | -161.8 | 176.2 | 0.4 | -137.6 | 51.7 | 0 | 0 | 0 | 107 | | |
| 1090 | E | 29.7 | Very low | 30.9 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -149.5 | -73.4 | 7.9 | -171.9 | 131.9 | -130.5 | 0 | 0 | 113.2 | | |
| 1091 | T | 32.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | -143.4 | 136.5 | -160.8 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1092 | S | 30.8 | Very low | 30.9 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | | 75.5 | 140.3 | 59.1 | 104.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1093 | K | 32.3 | Very low | 31.1 | Very low | 185 Ų | 185 | 122.9 Ų | 122.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | cis | -163.7 | 142.9 | 19.1 | -134 | 160.7 | -172.9 | 172.9 | 0 | 113.1 | | |
| 1094 | S | 32.4 | Very low | 31.2 | Very low | 90 Ų | 90 | 127.6 Ų | 127.6 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | | | trans | 35.1 | 128 | 146.6 | 61.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1095 | N | 28.4 | Very low | 31.2 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 61.8 | 152.2 | 136.9 | -56.1 | -7.8 | 0 | 0 | 0 | 119.4 | | |
| 1096 | Q | 30.6 | Very low | 31 | Very low | 186 Ų | 186 | 124.5 Ų | 124.5 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | | | cis | -150.2 | 180 | 13.8 | -143.6 | 165.6 | 24.6 | 0 | 0 | 111.3 | | |
| 1097 | S | 28.1 | Very low | 31.4 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -98.7 | 139.2 | -166.1 | 55.4 | 0 | 0 | 0 | 0 | 117 | | |
| 1098 | V | 31.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | | | trans | -142.3 | 165 | 154.1 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1099 | T | 32 | Very low | 31.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | -92 | 146.9 | -151.4 | 53.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1100 | S | 29.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | | | trans | 60.2 | 113.3 | 134 | 68.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1101 | S | 29 | Very low | 32.3 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | | 79.6 | 131.8 | 119 | -56.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1102 | S | 31.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 81.2 | 149.1 | 146.9 | 85.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1103 | V | 32.5 | Very low | 32.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 77% | 0.769 | S | S | * | * | | | cis | -165.8 | 155.4 | -10.9 | 120.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1104 | F | 30.9 | Very low | 32.4 | Very low | 212 Ų | 212 | 124.2 Ų | 124.2 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | | | trans | 59.8 | 154.2 | 172.8 | -71.7 | -52.3 | 0 | 0 | 0 | 118.6 | | |
| 1105 | G | 29.5 | Very low | 32.2 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | cis | -165.7 | 164.4 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1106 | S | 31.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -86.6 | 180 | -167 | -40.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1107 | P | 42.4 | Very low | 32 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | | -151.2 | -178.3 | 94.8 | 43.4 | -27 | 0 | 0 | 0 | 117.1 | | |
| 1108 | L | 36 | Very low | 32 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | 72.3 | 55.6 | 162.6 | -58.4 | -177.3 | 0 | 0 | 0 | 120.5 | | |
| 1109 | L | 29.3 | Very low | 31.9 | Very low | 168 Ų | 168 | 124 Ų | 124 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | | | | 39.5 | 150.1 | 117.7 | -68.9 | 171.5 | 0 | 0 | 0 | 123.9 | | |
| 1110 | P | 44.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | -114.3 | -165.4 | -177 | 46.3 | -36.1 | 0 | 0 | 0 | 113.8 | | |
| 1111 | S | 33.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -155.4 | 148.1 | 159.6 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1112 | V | 38.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | cis | -151.1 | 135.3 | -26 | -94.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1113 | S | 31 | Very low | 31.5 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | | 84.5 | 120.8 | 58.6 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1114 | S | 29 | Very low | 31.3 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | | 80.8 | 152.4 | 56.7 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1115 | L | 28.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | cis | -159.4 | 178.8 | -2.9 | -121.9 | 166.7 | 0 | 0 | 0 | 109.2 | | |
| 1116 | S | 25.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -95 | 135.5 | 166.9 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1117 | S | 29 | Very low | 31.4 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | -175.9 | 112.8 | 137.8 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1118 | V | 28.5 | Very low | 30.9 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | 20.4 | 120.8 | 140.7 | -164.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1119 | I | 29 | Very low | 30.9 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | | -173.2 | 139.2 | 120 | -97.6 | 164.9 | 0 | 0 | 0 | 111.2 | | |
| 1120 | S | 30.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | 51.7 | 117.2 | 162.7 | -66.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1121 | N | 26.2 | Very low | 30.7 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | | 27 | 122.9 | 126.7 | -55.1 | -11.2 | 0 | 0 | 0 | 120.1 | | |
| 1122 | G | 27.6 | Very low | 30.4 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -177.6 | 89.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1123 | S | 30.9 | Very low | 30.1 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | -57.4 | 133.8 | -176.5 | -54.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1124 | N | 27.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | 64.5 | 144.4 | 138.7 | -79 | -35 | 0 | 0 | 0 | 121.8 | | |
| 1125 | K | 31 | Very low | 30.1 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 57% | 0.574 | 79% | 0.786 | S | S | * | * | | | trans | 76 | 148.7 | 157.2 | -72.2 | 174 | 179.3 | -175.6 | 0 | 117.7 | | |
| 1126 | D | 30 | Very low | 30 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -141 | 176.3 | 5.3 | -117.3 | -33.4 | 0 | 0 | 0 | 113.5 | | |
| 1127 | S | 32.1 | Very low | 30.3 | Very low | 91 Ų | 91 | 127 Ų | 127 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -26.5 | 154.8 | 163.4 | 52.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1128 | T | 32.1 | Very low | 30.3 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | cis | -173.9 | 152 | 3 | 19.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1129 | N | 35.1 | Very low | 30.6 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | | -173.8 | 148.6 | 124.7 | -104.5 | -23.7 | 0 | 0 | 0 | 115.5 | | |
| 1130 | S | 34.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | 60.3 | 126.5 | 157.4 | -56.9 | 0 | 0 | 0 | 0 | 121 | | |
| 1131 | K | 35.5 | Very low | 30.8 | Very low | 214 Ų | 214 | 131 Ų | 131 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -89.8 | 167.4 | 176.8 | -79.4 | 179.9 | 176.2 | 175.1 | 0 | 113.6 | | |
| 1132 | A | 28.6 | Very low | 31 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -58 | 163.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1133 | G | 30.5 | Very low | 31.3 | Very low | 66 Ų | 66 | 134.1 Ų | 134.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -154.5 | 47.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1134 | T | 32.2 | Very low | 31.3 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | 62.5 | 175.2 | 156.1 | 42.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1135 | L | 28.1 | Very low | 31.5 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -99.9 | 174.9 | -165.5 | -82.5 | 72.6 | 0 | 0 | 0 | 114.1 | | |
| 1136 | S | 27.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | 90 | 102.7 | 137.2 | 42.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1137 | T | 29.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | | 75.9 | 125.2 | 126 | 57.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1138 | S | 30.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 90.5 | 134.5 | 140.1 | -66.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1139 | N | 33.5 | Very low | 31.4 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -59.8 | 164.1 | 167.8 | -73.4 | -34 | 0 | 0 | 0 | 113.4 | | |
| 1140 | N | 31.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | cis | -177.6 | -178.9 | -24 | -166.5 | -2.2 | 0 | 0 | 0 | 106.6 | | |
| 1141 | Q | 32 | Very low | 31.1 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 76 | 148.3 | 170 | -61.7 | 177.1 | -6.7 | 0 | 0 | 113.5 | | |
| 1142 | Q | 30.8 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | cis | -151.4 | 148.4 | 46.7 | -171.6 | 170.2 | 1.6 | 0 | 0 | 115.2 | D1144 | Q1142-D1144 WeakPolarHBondContact CG-OD2 3.31Å; Q1142-D1144 PolarHBondContact NE2-OD2 2.69Å |
| 1143 | N | 33.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -167.3 | 118 | 150.3 | -102.5 | -28.4 | 0 | 0 | 0 | 109.7 | | |
| 1144 | D | 31.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | trans | -86.5 | -173.9 | 177.9 | -58.3 | -84.7 | 0 | 0 | 0 | 110.4 | Q1142 | Q1142-D1144 WeakPolarHBondContact CG-OD2 3.31Å; Q1142-D1144 PolarHBondContact NE2-OD2 2.69Å |
| 1145 | V | 31.5 | Very low | 31.3 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | cis | -155.4 | 138.9 | 19.7 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1146 | K | 32.7 | Very low | 31.4 | Very low | 214 Ų | 214 | 134.8 Ų | 134.8 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | -164.3 | 137.8 | 132.7 | -115.3 | 173.4 | -177.6 | 176.7 | 0 | 112.6 | | |
| 1147 | T | 30.3 | Very low | 31.7 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -130.4 | 139.3 | -157.3 | 39.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1148 | S | 30.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -178.9 | 146.8 | 152.8 | 35.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1149 | V | 30 | Very low | 31.7 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | cis | -164.3 | 170.7 | -24.1 | 98.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1150 | I | 30.8 | Very low | 31.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | 92.4 | 103.2 | 173.2 | -50.6 | -162.8 | 0 | 0 | 0 | 119.3 | | |
| 1151 | V | 33.1 | Very low | 31.3 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | 81.4 | 125 | 138.8 | 175.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1152 | L | 25.3 | Very low | 31.1 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -112.4 | 171.9 | 165 | -86.2 | 167.5 | 0 | 0 | 0 | 107.4 | | |
| 1153 | P | 40.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 77% | 0.766 | S | S | * | * | | | cis | -160.9 | 161.8 | 44.4 | 43.6 | -20.4 | 0 | 0 | 0 | 122 | | |
| 1154 | S | 30.7 | Very low | 30.5 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | 63.4 | 154.4 | 135.7 | -64.1 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1155 | A | 33.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | 78.4 | 137.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1156 | D | 31.1 | Very low | 30.3 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | cis | -168.2 | 169.3 | -16.8 | -154.6 | -2.8 | 0 | 0 | 0 | 111.8 | | |
| 1157 | K | 33.8 | Very low | 30.4 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | | | trans | 69.5 | 149.7 | 154.6 | -71.2 | 172 | -180 | 76.5 | 0 | 122.1 | | |
| 1158 | L | 29.2 | Very low | 30.3 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | cis | -173.6 | 160 | -31.7 | -114.3 | -169.3 | 0 | 0 | 0 | 111.2 | | |
| 1159 | L | 30.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | 63.1 | 169 | 163.7 | -87 | 90.9 | 0 | 0 | 0 | 120.3 | | |
| 1160 | S | 27.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | | -177.4 | 132.2 | -56.8 | -95 | 0 | 0 | 0 | 0 | 114 | | |
| 1161 | S | 28.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | 15.3 | 131.9 | 146.5 | 62.8 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1162 | R | 27.6 | Very low | 30.1 | Very low | 229 Ų | 229 | 128.6 Ų | 128.6 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | 42.8 | 125.9 | 130.9 | -86.4 | -173.5 | 179.5 | 168.6 | -0.8 | 121.9 | | |
| 1163 | N | 26.5 | Very low | 30.4 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | | 149.6 | 142.7 | 110 | -88.6 | -16.4 | 0 | 0 | 0 | 118.1 | | |
| 1164 | F | 25.6 | Very low | 29.9 | Very low | 188 Ų | 188 | 132 Ų | 132 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | 64.5 | 137.2 | 142.9 | -90 | -107.8 | 0 | 0 | 0 | 124.9 | | |
| 1165 | S | 29.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | | | trans | 135.6 | 144.2 | 135.4 | -57.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1166 | Q | 27.4 | Very low | 29.6 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | | | trans | -98.5 | -174.9 | 176.5 | -102.3 | -174.5 | 2.9 | 0 | 0 | 110.7 | | |
| 1167 | P | 35.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | cis | -148.7 | -159.8 | 26.9 | 45.3 | -22.1 | 0 | 0 | 0 | 118.3 | | |
| 1168 | S | 28 | Very low | 29.4 | Very low | 53 Ų | 53 | 136.9 Ų | 136.9 | 37% | 0.371 | 74% | 0.743 | S | S | . | * | | | trans | -77.5 | 155.9 | -169.3 | -25.5 | 0 | 0 | 0 | 0 | 118.5 | F919 | F919-S1168 VanDerWaalsContact CE2-OG 3.27Å; F919-S1168 WeakPolarHBondContact CE2-OG 3.46Å |
| 1169 | N | 30.8 | Very low | 29.4 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | | | | 165.1 | 166.6 | 105.1 | -93.8 | -32.6 | 0 | 0 | 0 | 117 | | |
| 1170 | L | 28.6 | Very low | 29.1 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | -21.9 | 155.2 | 168.6 | -78.5 | 54.8 | 0 | 0 | 0 | 117.9 | | |
| 1171 | A | 30.8 | Very low | 29.4 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | -163.8 | -179.6 | 42.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1172 | A | 30.6 | Very low | 29.5 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | 68.2 | 110.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1173 | Q | 30.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | | 75.9 | 138.6 | 98.1 | -73.2 | -174.3 | 8.6 | 0 | 0 | 114.4 | | |
| 1174 | Q | 31.8 | Very low | 29.8 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | | | cis | -148.7 | 159.6 | 21.1 | -127.9 | 159.2 | 55 | 0 | 0 | 113.2 | | |
| 1175 | S | 28.7 | Very low | 29.9 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | | | trans | -76.7 | 170.7 | 165.9 | 39.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1176 | S | 28.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | cis | -169 | 168.9 | -7.9 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1177 | K | 32.7 | Very low | 29.9 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | -169.8 | 126.3 | 146.6 | -102.6 | 160.2 | -176.9 | 178.5 | 0 | 108.4 | | |
| 1178 | Y | 28.8 | Very low | 29.6 | Very low | 199 Ų | 199 | 146 Ų | 146 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | | 63.1 | 133.1 | 89.8 | -87.2 | -119.8 | 0 | 0 | 0 | 114 | | |
| 1179 | Q | 28 | Very low | 29.7 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | cis | -159.6 | -171.5 | -7.8 | -136.6 | -165.5 | -39 | 0 | 0 | 112.4 | | |
| 1180 | D | 24.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | | | trans | -51.4 | 142.2 | -170.5 | -64.4 | -87.7 | 0 | 0 | 0 | 119.7 | | |
| 1181 | V | 34 | Very low | 29.6 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -140.7 | 89.7 | 137.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | C1183 | V1181-C1183 VanDerWaalsContact C-N 3.33Å; V1181-C1183 HydrophobicContact CG1-CB 4.34Å; V1181-C1183 PolarHBondContact O-N 3.41Å |
| 1182 | K | 30.8 | Very low | 29.6 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -90.4 | 42.8 | -175 | -154.3 | 171.5 | -175.1 | 173.2 | 0 | 114.5 | R1184 | K1182-R1184 VanDerWaalsContact C-N 3.32Å; K1182-R1184 PolarHBondContact O-N 3.37Å |
| 1183 | C | 28.9 | Very low | 29.7 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | trans | -75.4 | 73 | 178.8 | -70.9 | 0 | 0 | 0 | 0 | 113.1 | V1181 R1185 | V1181-C1183 VanDerWaalsContact C-N 3.33Å; V1181-C1183 HydrophobicContact CG1-CB 4.34Å; V1181-C1183 PolarHBondContact O-N 3.41Å; C1183-R1185 PolarHBondContact O-N 3.38Å |
| 1184 | R | 30.9 | Very low | 29.8 | Very low | 248 Ų | 248 | 146.2 Ų | 146.2 | 94% | 0.936 | 77% | 0.772 | S | S | * | * | | | trans | -76.2 | 87.6 | 178.5 | -127.9 | -175.2 | -170.1 | -165 | 3.3 | 112.2 | K1182 | K1182-R1184 VanDerWaalsContact C-N 3.32Å; K1182-R1184 PolarHBondContact O-N 3.37Å |
| 1185 | R | 29.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -129 | 127 | 165.1 | -109.2 | -173.4 | 170.1 | -160.9 | -5.8 | 111.4 | C1183 | C1183-R1185 PolarHBondContact O-N 3.38Š|
| 1186 | L | 27.6 | Very low | 30.2 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | 54.9 | 72.1 | 152.6 | -55.7 | 176 | 0 | 0 | 0 | 117.6 | Y1188 | L1186-Y1188 VanDerWaalsContact C-N 3.33Å; L1186-Y1188 PolarHBondContact O-N 3.35Å |
| 1187 | S | 28.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -89.9 | 64.8 | 155.6 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | S1189 | S1187-S1189 VanDerWaalsContact C-N 3.28Å; S1187-S1189 PolarHBondContact O-N 3.2Å |
| 1188 | Y | 30 | Very low | 30.2 | Very low | 221 Ų | 221 | 141 Ų | 141 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -83.2 | 82.6 | 160.6 | -99.3 | -73.1 | 0 | 0 | 0 | 108 | L1186 C1190 | L1186-Y1188 VanDerWaalsContact C-N 3.33Å; L1186-Y1188 PolarHBondContact O-N 3.35Å; Y1188-C1190 PolarHBondContact O-N 3.5Å |
| 1189 | S | 30 | Very low | 30.6 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | -78.9 | 96.7 | -174.1 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | S1187 | S1187-S1189 VanDerWaalsContact C-N 3.28Å; S1187-S1189 PolarHBondContact O-N 3.2Å |
| 1190 | C | 25.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | | | trans | -75.1 | 126.7 | 158.5 | -71.6 | 0 | 0 | 0 | 0 | 108.8 | Y1188 | Y1188-C1190 PolarHBondContact O-N 3.5Š|
| 1191 | P | 31.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -79.1 | 135.1 | -174.9 | 31.1 | -34.5 | 0 | 0 | 0 | 111.8 | | |
| 1192 | S | 30.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -144.5 | 94 | 167.1 | -74.3 | 0 | 0 | 0 | 0 | 109.1 | P1194 | S1192-P1194 VanDerWaalsContact O-CD 3.24Å; S1192-P1194 WeakPolarHBondContact O-CD 3.47Å |
| 1193 | T | 32.2 | Very low | 31.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | trans | -107.4 | 95.9 | 177.4 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1194 | P | 32 | Very low | 31.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | trans | -86.8 | 110.8 | 168.2 | 32.6 | -30.3 | 0 | 0 | 0 | 110.6 | S1192 | S1192-P1194 VanDerWaalsContact O-CD 3.24Å; S1192-P1194 WeakPolarHBondContact O-CD 3.47Å |
| 1195 | S | 33.4 | Very low | 31.5 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -137.1 | 132.7 | 175.9 | -68 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1196 | I | 36.4 | Very low | 31.8 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | cis | -151.4 | 151.5 | -4.4 | -80.9 | 142.7 | 0 | 0 | 0 | 105.8 | | |
| 1197 | P | 32.6 | Very low | 32.2 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | | | trans | -135.7 | 147.2 | 151 | 37.8 | -25.9 | 0 | 0 | 0 | 114.1 | | |
| 1198 | S | 29.3 | Very low | 32.3 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | | | trans | 161.9 | 116.3 | 139.3 | -79.1 | 0 | 0 | 0 | 0 | 114 | T930 | T930-S1198 VanDerWaalsContact CB-O 3.31Å; T930-S1198 WeakPolarHBondContact CB-O 3.39Å; T930-S1198 PolarHBondContact OG1-O 2.81Å |
| 1199 | T | 36.4 | Very low | 32.5 | Very low | 40 Ų | 40 | 113.2 Ų | 113.2 | 25% | 0.245 | 74% | 0.735 | C | S | . | * | | | | -159.8 | 137.9 | 113.1 | 27.8 | 0 | 0 | 0 | 0 | 105.5 | T929 T930 T931 | T929-T1199 HydrophobicContact CG2-CG2 4.13Å; T930-T1199 WeakPolarHBondContact CB-OG1 3.31Å; T930-T1199 PolarHBondContact O-OG1 2.82Å; T930-T1199 VanDerWaalsContact O-OG1 3.05Å; T930-T1199 WeakPolarHBondContact OG1-CG2 2.9Å; T930-T1199 PolarHBondContact OG1-OG1 2.94Å; T931-T1199 VanDerWaalsContact CG2-N 3.27Å; T931-T1199 PolarHBondContact OG1-N 3.19Å; T931-T1199 PolarHBondContact OG1-O 2.8Å; T931-T1199 PolarHBondContact OG1-OG1 3.09Å |
| 1200 | T | 33.4 | Very low | 32.6 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | | | | 57.4 | 91.7 | 73 | 79.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1201 | V | 32.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 92% | 0.915 | 74% | 0.738 | S | S | * | * | | | | -96.1 | 135.1 | 125.7 | 175.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1202 | T | 29.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | | | trans | -111.4 | 131.4 | -172.6 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1203 | V | 37.2 | Very low | 32.8 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | | | trans | -139.3 | 117.6 | 154.9 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1204 | S | 31.3 | Very low | 32.6 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | trans | 24.4 | 101.1 | 148 | -48 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1205 | T | 31.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | | | | 72.4 | 111.7 | 79.9 | 61.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1206 | T | 36.7 | Very low | 32.5 | Very low | 145 Ų | 145 | 120.4 Ų | 120.4 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | -160.8 | 158.2 | 130.2 | 14 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1207 | S | 35.8 | Very low | 32.4 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | | | trans | -47.7 | 143.8 | 178.1 | 44.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1208 | S | 30.6 | Very low | 32.4 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | cis | 92.6 | 129.2 | 30.4 | 80.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1209 | A | 33.4 | Very low | 33 | Very low | 97 Ų | 97 | 120.3 Ų | 120.3 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | 72.8 | 136.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1210 | S | 32.7 | Very low | 32.9 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | | | cis | -160.5 | 150.6 | -3.9 | -102.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1211 | L | 29.2 | Very low | 32.7 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | 68.5 | 158.6 | 160.9 | -69.8 | 170.2 | 0 | 0 | 0 | 120.4 | | |
| 1212 | Q | 32.3 | Very low | 32.9 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | 72 | 139.3 | -172.5 | -60.8 | -158.1 | 37 | 0 | 0 | 114.9 | | |
| 1213 | T | 29.9 | Very low | 33.3 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | | | cis | -158.3 | 150.7 | -0.8 | -112.2 | 0 | 0 | 0 | 0 | 112 | | |
| 1214 | I | 29 | Very low | 32.9 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | 48.3 | 109.2 | 171.1 | -62.4 | 156.8 | 0 | 0 | 0 | 118.3 | | |
| 1215 | V | 34.3 | Very low | 32.9 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | | -138.4 | 112 | 123.6 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1216 | T | 28.2 | Very low | 33.4 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -98.7 | 105 | 166.8 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1217 | S | 34.3 | Very low | 33.8 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | trans | -137.1 | 111.8 | 170.3 | 49.2 | 0 | 0 | 0 | 0 | 110 | T1219 | S1217-T1219 PolarHBondContact O-N 3.16Š|
| 1218 | S | 33.9 | Very low | 34.7 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.5 | -170.3 | -48 | 0 | 0 | 0 | 0 | 112.4 | N1220 | S1218-N1220 PolarHBondContact O-N 2.85Š|
| 1219 | T | 40.6 | Very low | 36.9 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.7 | 167.4 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | S1217 M1221 | S1217-T1219 PolarHBondContact O-N 3.16Å; T1219-M1221 PolarHBondContact O-N 3.27Å |
| 1220 | N | 34.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.3 | -176.3 | -78.4 | -60.5 | 0 | 0 | 0 | 112.5 | S1218 V1222 | S1218-N1220 PolarHBondContact O-N 2.85Å; N1220-V1222 HydrophobicContact CB-CG2 4.41Å; N1220-V1222 PolarHBondContact O-N 3.11Å |
| 1221 | M | 28.7 | Very low | 42.2 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 86% | 0.862 | 74% | 0.737 | S | S | * | * | | | trans | -67.9 | 82.2 | 166 | -82.2 | -73.6 | -179.3 | 0 | 0 | 110 | T1219 T1223 | T1219-M1221 PolarHBondContact O-N 3.27Å; M1221-T1223 PolarHBondContact O-N 3.3Å |
| 1222 | V | 38.4 | Very low | 45.2 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | | | trans | -75 | 72.9 | 165.2 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | N1220 C1224 | N1220-V1222 HydrophobicContact CB-CG2 4.41Å; N1220-V1222 PolarHBondContact O-N 3.11Å; V1222-C1224 PolarHBondContact O-N 3.37Å |
| 1223 | T | 37.3 | Very low | 48.1 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 64% | 0.644 | 69% | 0.686 | S | S | * | * | | | trans | -70.2 | 78 | 176.3 | -51.5 | 0 | 0 | 0 | 0 | 109.1 | M1221 C1225 | M1221-T1223 PolarHBondContact O-N 3.3Å; T1223-C1225 PolarHBondContact O-N 2.98Å |
| 1224 | C | 28.9 | Very low | 51 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 81% | 0.811 | 68% | 0.682 | S | S | * | * | | | trans | -74.7 | 41.7 | -176.9 | -152.2 | 0 | 0 | 0 | 0 | 112.4 | V1222 | V1222-C1224 PolarHBondContact O-N 3.37Š|
| 1225 | C | 31.9 | Very low | 54.1 | Low | 107 Ų | 107 | 121 Ų | 121 | 72% | 0.723 | 66% | 0.657 | S | S | * | * | | | trans | -148.4 | 87 | -177.8 | -92 | 0 | 0 | 0 | 0 | 110.4 | T1223 | T1223-C1225 PolarHBondContact O-N 2.98Š|
| 1226 | S | 40.9 | Very low | 56.8 | Low | 114 Ų | 114 | 120.7 Ų | 120.7 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | | | trans | -148.5 | 135.1 | 157.2 | -86.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1227 | R | 46.2 | Very low | 59.7 | Low | 217 Ų | 217 | 120.7 Ų | 120.7 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | | | trans | -55.1 | 148.5 | -175.4 | -66.3 | 176 | 172.4 | -176.1 | -5.3 | 110.6 | R1229 | R1227-R1229 PolarHBondContact O-N 3.41Š|
| 1228 | R | 54.6 | Low | 62.4 | Low | 212 Ų | 212 | 119 Ų | 119 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | | | trans | -53.8 | 91.6 | 179.6 | -66.2 | -171.3 | -170.2 | -167.2 | 7 | 111.1 | | |
| 1229 | R | 76.4 | Confident | 64.9 | Low | 128 Ų | 128 | 114.4 Ų | 114.4 | 48% | 0.483 | 60% | 0.601 | S | S | . | * | | | trans | -76.3 | 142.6 | 170.3 | -69.5 | -170.8 | -179.6 | -86 | -15.2 | 109.3 | R1227 Q1231 C1239 E1240 | R1227-R1229 PolarHBondContact O-N 3.41Å; R1229-Q1231 PolarHBondContact O-N 3.25Å; R1229-C1239 CarbonylContact C-O 3.43Å; R1229-E1240 IonicContact CZ-OE2 2.72Å; R1229-E1240 IonicContact NH1-OE2 3Å; R1229-E1240 PolarHBondContact NH1-OE2 3.15Å; R1229-E1240 IonicContact NH2-OE1 3.16Å; R1229-E1240 IonicContact NH2-OE2 2.76Å; R1229-E1240 PolarHBondContact NH2-OE2 2.94Å |
| 1230 | H | 85.3 | Confident | 67.3 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 34% | 0.343 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 96.6 | 178.4 | -69.7 | -79.8 | 0 | 0 | 0 | 109 | S1238 C1239 K1242 L1245 | H1230-S1238 WeakPolarHBondContact O-CA 3.39Å; H1230-C1239 PolarHBondContact N-O 2.89Å; H1230-C1239 PolarHBondContact O-N 3.24Å; H1230-K1242 PolarHBondContact CD2-N 2.68Å; H1230-L1245 HydrophobicContact CB-CB 3.83Å; H1230-L1245 HydrophobicContact CB-CD2 3.68Å; H1230-L1245 HydrophobicContact CB-CG 4.32Å |
| 1231 | Q | 90.6 | Very high | 69.9 | Low | 138 Ų | 138 | 113.3 Ų | 113.3 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 141.7 | -179.8 | -173.1 | 171.1 | -4.4 | 0 | 0 | 112 | R1229 L1245 | R1229-Q1231 PolarHBondContact O-N 3.25Å; Q1231-L1245 WeakPolarHBondContact O-CD2 3.37Å |
| 1232 | C | 93.4 | Very high | 72.9 | Confident | 5 Ų | 5 | 112.1 Ų | 112.1 | 3% | 0.034 | 57% | 0.565 | C | S | . | * | | | trans | -79.4 | 134.2 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | Y1234 C1235 K1237 L1245 H1252 | C1232-Y1234 VanDerWaalsContact C-N 3.25Å; C1232-Y1234 PolarHBondContact O-N 3.27Å; C1232-C1235 WeakPolarHBondContact CB-O 3.27Å; C1232-K1237 WeakPolarHBondContact CB-O 3.31Å; C1232-K1237 PolarHBondContact N-O 3.05Å; C1232-L1245 HydrophobicContact CB-CD1 3.74Å; C1232-H1252 PolarHBondContact SG-NE2 3.49Å |
| 1233 | P | 92.2 | Very high | 75.4 | Confident | 96 Ų | 96 | 109.8 Ų | 109.8 | 62% | 0.623 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -73.5 | -17.5 | 176.3 | 29.5 | -34.3 | 0 | 0 | 0 | 113 | I1249 | P1233-I1249 HydrophobicContact CG-CD1 4.47Š|
| 1234 | Y | 91.9 | Very high | 78 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -101.5 | -12.9 | -174.4 | -55 | -67.5 | 0 | 0 | 0 | 114.3 | C1232 I1249 H1252 T1253 | C1232-Y1234 VanDerWaalsContact C-N 3.25Å; C1232-Y1234 PolarHBondContact O-N 3.27Å; Y1234-I1249 HydrophobicContact CD2-CG1 4.48Å; Y1234-I1249 HydrophobicContact CE2-CG2 4.05Å; Y1234-H1252 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1252 HydrophobicContact CD2-CB 3.71Å; Y1234-H1252 AromaticContact CD2-CG 4Å; Y1234-H1252 HydrophobicContact CE2-CB 4.43Å; Y1234-H1252 HydrophobicContact CG-CB 3.9Å; Y1234-H1252 AromaticContact CG-CG 3.99Å; Y1234-H1252 PolarHBondContact O-CE1 3.36Å; Y1234-T1253 HydrophobicContact CE2-CG2 4.39Å |
| 1235 | C | 94.2 | Very high | 81.1 | Confident | 28 Ų | 28 | 103.8 Ų | 103.8 | 19% | 0.189 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -160.8 | 164.3 | 174.5 | 81 | 0 | 0 | 0 | 0 | 111.5 | C1232 K1237 H1248 H1252 | C1232-C1235 WeakPolarHBondContact CB-O 3.27Å; C1235-K1237 PolarHBondContact O-N 3.47Å; C1235-H1248 PolarHBondContact SG-NE2 2.92Å; C1235-H1252 WeakPolarHBondContact CB-CE1 3.44Å; C1235-H1252 WeakPolarHBondContact CB-NE2 3.48Å; C1235-H1252 VanDerWaalsContact SG-CE1 3.55Å; C1235-H1252 PolarHBondContact SG-NE2 3.29Å |
| 1236 | P | 90.9 | Very high | 84 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 79% | 0.786 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -70.6 | 5.4 | -173.3 | 28.5 | -36.3 | 0 | 0 | 0 | 115.6 | | |
| 1237 | K | 88 | Confident | 86.5 | Confident | 135 Ų | 135 | 99 Ų | 99 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | | | trans | -69.3 | 135.9 | 176.7 | -68 | -178.5 | 178.8 | -179.8 | 0 | 110.4 | C1232 C1235 | C1232-K1237 WeakPolarHBondContact CB-O 3.31Å; C1232-K1237 PolarHBondContact N-O 3.05Å; C1235-K1237 PolarHBondContact O-N 3.47Å |
| 1238 | S | 90.8 | Very high | 88.8 | Confident | 60 Ų | 60 | 90 Ų | 90 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.5 | 168.9 | 67.7 | 0 | 0 | 0 | 0 | 111 | H1230 | H1230-S1238 WeakPolarHBondContact O-CA 3.39Å |
| 1239 | C | 87.9 | Confident | 90.6 | Very high | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 149 | -178.3 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | R1229 H1230 N1244 L1245 | R1229-C1239 CarbonylContact C-O 3.43Å; H1230-C1239 PolarHBondContact N-O 2.89Å; H1230-C1239 PolarHBondContact O-N 3.24Å; C1239-N1244 HydrophobicContact CB-CB 4.05Å; C1239-L1245 HydrophobicContact CB-CB 4.03Å |
| 1240 | E | 89.5 | Confident | 91.5 | Very high | 112 Ų | 112 | 77.4 Ų | 77.4 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -73.3 | -31.8 | 177.7 | -158.5 | 148.2 | 163 | 0 | 0 | 113 | R1229 | R1229-E1240 IonicContact CZ-OE2 2.72Å; R1229-E1240 IonicContact NH1-OE2 3Å; R1229-E1240 PolarHBondContact NH1-OE2 3.15Å; R1229-E1240 IonicContact NH2-OE1 3.16Å; R1229-E1240 IonicContact NH2-OE2 2.76Å; R1229-E1240 PolarHBondContact NH2-OE2 2.94Å |
| 1241 | R | 89.9 | Confident | 91.9 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 57% | 0.566 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -116.4 | 149.4 | -178.1 | -58.8 | 162.3 | 53.4 | 131.8 | -7.4 | 111 | D1243 N1244 L1245 | R1241-D1243 WeakPolarHBondContact CB-OD1 3.03Å; R1241-D1243 IonicContact CZ-OD1 3.86Å; R1241-D1243 IonicContact CZ-OD2 3.4Å; R1241-D1243 IonicContact NE-OD1 3.3Å; R1241-D1243 PolarHBondContact NE-OD1 2.77Å; R1241-D1243 IonicContact NE-OD2 3.89Å; R1241-D1243 PolarHBondContact NE-OD2 3.43Å; R1241-D1243 IonicContact NH2-OD1 3.83Å; R1241-D1243 IonicContact NH2-OD2 2.68Å; R1241-D1243 PolarHBondContact NH2-OD2 3.46Å; R1241-N1244 HydrophobicContact CB-CB 4.41Å; R1241-N1244 PolarHBondContact O-N 2.95Å; R1241-L1245 PolarHBondContact O-N 3.38Å; R1241-L1245 VanDerWaalsContact O-N 3.11Å |
| 1242 | K | 91.5 | Very high | 92.1 | Very high | 150 Ų | 150 | 76.1 Ų | 76.1 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.5 | -37.6 | 179.8 | -174.9 | -174.3 | 174.5 | -171 | 0 | 113.1 | H1230 L1245 Q1246 | H1230-K1242 PolarHBondContact CD2-N 2.68Å; K1242-L1245 PolarHBondContact O-N 2.79Å; K1242-Q1246 PolarHBondContact O-N 3.38Å |
| 1243 | D | 90.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 78.8 Ų | 78.8 | 39% | 0.385 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 177.5 | 61 | -22.3 | 0 | 0 | 0 | 112 | R1241 L1245 Q1246 A1247 | R1241-D1243 WeakPolarHBondContact CB-OD1 3.03Å; R1241-D1243 IonicContact CZ-OD1 3.86Å; R1241-D1243 IonicContact CZ-OD2 3.4Å; R1241-D1243 IonicContact NE-OD1 3.3Å; R1241-D1243 PolarHBondContact NE-OD1 2.77Å; R1241-D1243 IonicContact NE-OD2 3.89Å; R1241-D1243 PolarHBondContact NE-OD2 3.43Å; R1241-D1243 IonicContact NH2-OD1 3.83Å; R1241-D1243 IonicContact NH2-OD2 2.68Å; R1241-D1243 PolarHBondContact NH2-OD2 3.46Å; D1243-L1245 VanDerWaalsContact C-N 3.32Å; D1243-L1245 PolarHBondContact O-N 3.45Å; D1243-Q1246 PolarHBondContact O-N 3.28Å; D1243-Q1246 VanDerWaalsContact O-N 3.16Å; D1243-A1247 WeakPolarHBondContact O-CB 3.08Å; D1243-A1247 PolarHBondContact O-N 3.44Å |
| 1244 | N | 92.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 76 Ų | 76 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 171.9 | -76.5 | -13.6 | 0 | 0 | 0 | 111.7 | C1239 R1241 H1248 | C1239-N1244 HydrophobicContact CB-CB 4.05Å; R1241-N1244 HydrophobicContact CB-CB 4.41Å; R1241-N1244 PolarHBondContact O-N 2.95Å; N1244-H1248 VanDerWaalsContact O-CB 3.32Å; N1244-H1248 WeakPolarHBondContact O-CB 3.01Å; N1244-H1248 PolarHBondContact O-N 3.12Å |
| 1245 | L | 93.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 171 | 175.4 | 61.2 | 0 | 0 | 0 | 111.2 | H1230 Q1231 C1232 C1239 R1241 K1242 D1243 A1247 H1248 I1249 | H1230-L1245 HydrophobicContact CB-CB 3.83Å; H1230-L1245 HydrophobicContact CB-CD2 3.68Å; H1230-L1245 HydrophobicContact CB-CG 4.32Å; Q1231-L1245 WeakPolarHBondContact O-CD2 3.37Å; C1232-L1245 HydrophobicContact CB-CD1 3.74Å; C1239-L1245 HydrophobicContact CB-CB 4.03Å; R1241-L1245 PolarHBondContact O-N 3.38Å; R1241-L1245 VanDerWaalsContact O-N 3.11Å; K1242-L1245 PolarHBondContact O-N 2.79Å; D1243-L1245 VanDerWaalsContact C-N 3.32Å; D1243-L1245 PolarHBondContact O-N 3.45Å; L1245-A1247 PolarHBondContact O-N 3.44Å; L1245-H1248 CarbonylContact O-C 3.16Å; L1245-H1248 WeakPolarHBondContact O-CA 2.75Å; L1245-H1248 WeakPolarHBondContact O-CB 3.23Å; L1245-H1248 PolarHBondContact O-N 2.89Å; L1245-H1248 VanDerWaalsContact O-N 3.13Å; L1245-I1249 HydrophobicContact CD1-CD1 3.93Å; L1245-I1249 HydrophobicContact CD1-CG1 3.95Å; L1245-I1249 HydrophobicContact CD2-CD1 4.13Å; L1245-I1249 HydrophobicContact CG-CD1 3.78Å; L1245-I1249 HydrophobicContact CG-CG1 4.25Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.25Å; L1245-I1249 PolarHBondContact O-N 2.86Å |
| 1246 | Q | 93.5 | Very high | 92.3 | Very high | 106 Ų | 106 | 80.5 Ų | 80.5 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -177.6 | -169.9 | 177.3 | 9.8 | 0 | 0 | 111.7 | K1242 D1243 H1248 I1249 R1250 | K1242-Q1246 PolarHBondContact O-N 3.38Å; D1243-Q1246 PolarHBondContact O-N 3.28Å; D1243-Q1246 VanDerWaalsContact O-N 3.16Å; Q1246-H1248 VanDerWaalsContact C-N 3.29Å; Q1246-H1248 PolarHBondContact O-N 2.9Å; Q1246-I1249 PolarHBondContact O-N 3.19Å; Q1246-R1250 WeakPolarHBondContact O-CG 3.5Å; Q1246-R1250 PolarHBondContact O-N 3.45Å; Q1246-R1250 VanDerWaalsContact O-N 3.16Å |
| 1247 | A | 93.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 77.7 Ų | 77.7 | 12% | 0.116 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.9 | -34 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1243 L1245 Q1269 | D1243-A1247 WeakPolarHBondContact O-CB 3.08Å; D1243-A1247 PolarHBondContact O-N 3.44Å; L1245-A1247 PolarHBondContact O-N 3.44Å; A1247-Q1269 HydrophobicContact CB-CG 3.98Å; A1247-Q1269 VanDerWaalsContact CB-NE2 3.32Å |
| 1248 | H | 93.2 | Very high | 93 | Very high | 27 Ų | 27 | 74.8 Ų | 74.8 | 13% | 0.125 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71 | -38.4 | 171.8 | 176.4 | 31.6 | 0 | 0 | 0 | 112.7 | C1235 N1244 L1245 Q1246 R1250 T1251 H1252 | C1235-H1248 PolarHBondContact SG-NE2 2.92Å; N1244-H1248 VanDerWaalsContact O-CB 3.32Å; N1244-H1248 WeakPolarHBondContact O-CB 3.01Å; N1244-H1248 PolarHBondContact O-N 3.12Å; L1245-H1248 CarbonylContact O-C 3.16Å; L1245-H1248 WeakPolarHBondContact O-CA 2.75Å; L1245-H1248 WeakPolarHBondContact O-CB 3.23Å; L1245-H1248 PolarHBondContact O-N 2.89Å; L1245-H1248 VanDerWaalsContact O-N 3.13Å; Q1246-H1248 VanDerWaalsContact C-N 3.29Å; Q1246-H1248 PolarHBondContact O-N 2.9Å; H1248-R1250 PolarHBondContact O-N 3.34Å; H1248-T1251 PolarHBondContact ND1-OG1 3.44Å; H1248-T1251 VanDerWaalsContact ND1-OG1 3.1Å; H1248-T1251 WeakPolarHBondContact O-CB 3.49Å; H1248-T1251 PolarHBondContact O-N 2.72Å; H1248-T1251 PolarHBondContact O-OG1 3Å; H1248-H1252 AromaticContact CD2-NE2 3.82Å; H1248-H1252 AromaticContact CE1-CD2 3.59Å; H1248-H1252 AromaticContact CE1-NE2 2.66Å; H1248-H1252 PolarHBondContact CE1-NE2 2.82Å; H1248-H1252 AromaticContact ND1-NE2 3.78Å; H1248-H1252 AromaticContact NE2-CD2 3.98Å; H1248-H1252 AromaticContact NE2-NE2 2.65Å; H1248-H1252 PolarHBondContact NE2-NE2 3.22Å |
| 1249 | I | 94 | Very high | 93.2 | Very high | 42 Ų | 42 | 76.1 Ų | 76.1 | 22% | 0.215 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 175.3 | -78 | 170.2 | 0 | 0 | 0 | 110.9 | P1233 Y1234 L1245 Q1246 T1251 H1252 T1253 | P1233-I1249 HydrophobicContact CG-CD1 4.47Å; Y1234-I1249 HydrophobicContact CD2-CG1 4.48Å; Y1234-I1249 HydrophobicContact CE2-CG2 4.05Å; L1245-I1249 HydrophobicContact CD1-CD1 3.93Å; L1245-I1249 HydrophobicContact CD1-CG1 3.95Å; L1245-I1249 HydrophobicContact CD2-CD1 4.13Å; L1245-I1249 HydrophobicContact CG-CD1 3.78Å; L1245-I1249 HydrophobicContact CG-CG1 4.25Å; L1245-I1249 WeakPolarHBondContact O-CG1 3.25Å; L1245-I1249 PolarHBondContact O-N 2.86Å; Q1246-I1249 PolarHBondContact O-N 3.19Å; I1249-T1251 PolarHBondContact O-N 2.76Å; I1249-H1252 WeakPolarHBondContact O-CA 3.4Å; I1249-H1252 WeakPolarHBondContact O-CB 3.47Å; I1249-H1252 PolarHBondContact O-N 3.3Å; I1249-T1253 HydrophobicContact CG2-CG2 4.15Å; I1249-T1253 PolarHBondContact O-N 3.01Å |
| 1250 | R | 95.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 75.7 Ų | 75.7 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.2 | -21.8 | 172 | -65.9 | 177.8 | -177.5 | 152 | 3.4 | 114.2 | Q1246 H1248 H1252 G1254 E1255 P1268 | Q1246-R1250 WeakPolarHBondContact O-CG 3.5Å; Q1246-R1250 PolarHBondContact O-N 3.45Å; Q1246-R1250 VanDerWaalsContact O-N 3.16Å; H1248-R1250 PolarHBondContact O-N 3.34Å; R1250-H1252 PolarHBondContact O-N 3.27Å; R1250-G1254 WeakPolarHBondContact O-CA 3.46Å; R1250-G1254 PolarHBondContact O-N 2.85Å; R1250-E1255 HydrophobicContact CB-CB 4.33Å; R1250-E1255 HydrophobicContact CG-CB 3.97Å; R1250-P1268 HydrophobicContact CB-CB 4.02Å; R1250-P1268 WeakPolarHBondContact CD-O 3.33Å; R1250-P1268 PolarHBondContact NH1-O 2.9Å |
| 1251 | T | 94 | Very high | 94 | Very high | 95 Ų | 95 | 79.7 Ų | 79.7 | 58% | 0.583 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.9 | -13.8 | 171.8 | 77 | 0 | 0 | 0 | 0 | 113 | H1248 I1249 | H1248-T1251 PolarHBondContact ND1-OG1 3.44Å; H1248-T1251 VanDerWaalsContact ND1-OG1 3.1Å; H1248-T1251 WeakPolarHBondContact O-CB 3.49Å; H1248-T1251 PolarHBondContact O-N 2.72Å; H1248-T1251 PolarHBondContact O-OG1 3Å; I1249-T1251 PolarHBondContact O-N 2.76Å |
| 1252 | H | 94.7 | Very high | 94.3 | Very high | 90 Ų | 90 | 77.5 Ų | 77.5 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -99.1 | -42.9 | 173.9 | -68.3 | -76.9 | 0 | 0 | 0 | 112.1 | C1232 Y1234 C1235 H1248 I1249 R1250 G1254 | C1232-H1252 PolarHBondContact SG-NE2 3.49Å; Y1234-H1252 VanDerWaalsContact CB-CG 3.49Å; Y1234-H1252 HydrophobicContact CD2-CB 3.71Å; Y1234-H1252 AromaticContact CD2-CG 4Å; Y1234-H1252 HydrophobicContact CE2-CB 4.43Å; Y1234-H1252 HydrophobicContact CG-CB 3.9Å; Y1234-H1252 AromaticContact CG-CG 3.99Å; Y1234-H1252 PolarHBondContact O-CE1 3.36Å; C1235-H1252 WeakPolarHBondContact CB-CE1 3.44Å; C1235-H1252 WeakPolarHBondContact CB-NE2 3.48Å; C1235-H1252 VanDerWaalsContact SG-CE1 3.55Å; C1235-H1252 PolarHBondContact SG-NE2 3.29Å; H1248-H1252 AromaticContact CD2-NE2 3.82Å; H1248-H1252 AromaticContact CE1-CD2 3.59Å; H1248-H1252 AromaticContact CE1-NE2 2.66Å; H1248-H1252 PolarHBondContact CE1-NE2 2.82Å; H1248-H1252 AromaticContact ND1-NE2 3.78Å; H1248-H1252 AromaticContact NE2-CD2 3.98Å; H1248-H1252 AromaticContact NE2-NE2 2.65Å; H1248-H1252 PolarHBondContact NE2-NE2 3.22Å; I1249-H1252 WeakPolarHBondContact O-CA 3.4Å; I1249-H1252 WeakPolarHBondContact O-CB 3.47Å; I1249-H1252 PolarHBondContact O-N 3.3Å; R1250-H1252 PolarHBondContact O-N 3.27Å; H1252-G1254 VanDerWaalsContact C-N 3.29Å; H1252-G1254 PolarHBondContact O-N 3.38Å |
| 1253 | T | 93.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -77.2 | -15 | 177.3 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | Y1234 I1249 E1255 | Y1234-T1253 HydrophobicContact CE2-CG2 4.39Å; I1249-T1253 HydrophobicContact CG2-CG2 4.15Å; I1249-T1253 PolarHBondContact O-N 3.01Å; T1253-E1255 PolarHBondContact O-N 2.9Å; T1253-E1255 WeakPolarHBondContact OG1-CB 2.92Å; T1253-E1255 WeakPolarHBondContact OG1-CG 3.43Å; T1253-E1255 PolarHBondContact OG1-OE1 3.36Å; T1253-E1255 VanDerWaalsContact OG1-OE1 3.13Å |
| 1254 | G | 92.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 74.9 Ų | 74.9 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | | | trans | 74.9 | -0.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1250 H1252 R1256 | R1250-G1254 WeakPolarHBondContact O-CA 3.46Å; R1250-G1254 PolarHBondContact O-N 2.85Å; H1252-G1254 VanDerWaalsContact C-N 3.29Å; H1252-G1254 PolarHBondContact O-N 3.38Å; G1254-R1256 PolarHBondContact O-N 3.19Å |
| 1255 | E | 94.4 | Very high | 95 | Very high | 104 Ų | 104 | 77.6 Ų | 77.6 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | | | trans | -55.4 | 127.4 | -177.5 | -84.6 | 170.1 | -134.7 | 0 | 0 | 113.1 | R1250 T1253 P1257 | R1250-E1255 HydrophobicContact CB-CB 4.33Å; R1250-E1255 HydrophobicContact CG-CB 3.97Å; T1253-E1255 PolarHBondContact O-N 2.9Å; T1253-E1255 WeakPolarHBondContact OG1-CB 2.92Å; T1253-E1255 WeakPolarHBondContact OG1-CG 3.43Å; T1253-E1255 PolarHBondContact OG1-OE1 3.36Å; T1253-E1255 VanDerWaalsContact OG1-OE1 3.13Å; E1255-P1257 VanDerWaalsContact C-CD 3.5Å; E1255-P1257 WeakPolarHBondContact O-CD 3.29Å |
| 1256 | R | 95.3 | Very high | 95.1 | Very high | 157 Ų | 157 | 77.8 Ų | 77.8 | 59% | 0.592 | 40% | 0.396 | S | S | * | . | | | trans | -125.7 | 70.4 | -179.9 | -76.5 | 168 | 153.2 | 95.1 | -3.9 | 110.7 | G1254 Y1258 A1266 F1267 | G1254-R1256 PolarHBondContact O-N 3.19Å; R1256-Y1258 PolarHBondContact O-N 3.4Å; R1256-Y1258 VanDerWaalsContact O-N 3.12Å; R1256-A1266 HydrophobicContact CB-CB 3.65Å; R1256-A1266 WeakPolarHBondContact CD-O 3.32Å; R1256-A1266 WeakPolarHBondContact CG-O 3.47Å; R1256-A1266 PolarHBondContact NE-O 3.35Å; R1256-A1266 VanDerWaalsContact NE-O 3.12Å; R1256-A1266 WeakPolarHBondContact O-CB 3.06Å; R1256-F1267 CarbonylContact C-O 3.52Å; R1256-F1267 VanDerWaalsContact C-O 3.3Å; R1256-F1267 WeakPolarHBondContact CA-O 3.45Å |
| 1257 | P | 94.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 74.7 Ų | 74.7 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | | | trans | -72.4 | -1.1 | -173 | 29.8 | -36 | 0 | 0 | 0 | 114.8 | E1255 P1259 | E1255-P1257 VanDerWaalsContact C-CD 3.5Å; E1255-P1257 WeakPolarHBondContact O-CD 3.29Å; P1257-P1259 VanDerWaalsContact C-CD 3.5Å; P1257-P1259 WeakPolarHBondContact O-CD 3.39Å |
| 1258 | Y | 97.2 | Very high | 95.3 | Very high | 74 Ų | 74 | 75.4 Ų | 75.4 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 82.9 | 177.8 | -53.2 | -71.6 | 0 | 0 | 0 | 110.7 | R1256 A1266 F1267 P1268 K1270 | R1256-Y1258 PolarHBondContact O-N 3.4Å; R1256-Y1258 VanDerWaalsContact O-N 3.12Å; Y1258-A1266 WeakPolarHBondContact O-CA 3.47Å; Y1258-F1267 WeakPolarHBondContact CD2-O 3.38Å; Y1258-F1267 PolarHBondContact N-O 3.19Å; Y1258-F1267 VanDerWaalsContact N-O 3.14Å; Y1258-F1267 PolarHBondContact O-N 3.31Å; Y1258-P1268 WeakPolarHBondContact CE2-O 3.39Å; Y1258-K1270 HydrophobicContact CD1-CB 4.28Å; Y1258-K1270 HydrophobicContact CE1-CB 4.07Å |
| 1259 | P | 96.7 | Very high | 95.4 | Very high | 88 Ų | 88 | 77.1 Ų | 77.1 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 148.2 | 176 | 30.4 | -35.6 | 0 | 0 | 0 | 112 | P1257 A1266 L1273 | P1257-P1259 VanDerWaalsContact C-CD 3.5Å; P1257-P1259 WeakPolarHBondContact O-CD 3.39Å; P1259-A1266 HydrophobicContact CB-CB 4.24Å; P1259-L1273 WeakPolarHBondContact O-CD2 3.42Å |
| 1260 | C | 97.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 80.2 Ų | 80.2 | 9% | 0.088 | 41% | 0.405 | C | S | . | . | | | trans | -83.3 | 135.1 | 171.1 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | Y1262 C1263 K1265 L1273 H1276 H1280 | C1260-Y1262 PolarHBondContact O-N 3.43Å; C1260-C1263 WeakPolarHBondContact CB-O 3.23Å; C1260-K1265 WeakPolarHBondContact CB-O 3.2Å; C1260-K1265 PolarHBondContact N-O 3.29Å; C1260-L1273 HydrophobicContact CB-CD1 3.85Å; C1260-H1276 VanDerWaalsContact SG-CD2 3.52Å; C1260-H1276 PolarHBondContact SG-NE2 3.12Å; C1260-H1276 VanDerWaalsContact SG-NE2 3.43Å; C1260-H1280 PolarHBondContact SG-NE2 2.21Å |
| 1261 | R | 96.4 | Very high | 95.3 | Very high | 196 Ų | 196 | 82.8 Ų | 82.8 | 74% | 0.74 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -75.8 | -6.2 | 176 | 72.2 | -178.8 | -177.6 | -165.3 | -0.5 | 114.5 | | |
| 1262 | Y | 95.8 | Very high | 95.4 | Very high | 104 Ų | 104 | 82.7 Ų | 82.7 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -113.4 | -13.9 | -175.2 | -60.4 | -75 | 0 | 0 | 0 | 113.8 | C1260 I1277 H1280 | C1260-Y1262 PolarHBondContact O-N 3.43Å; Y1262-I1277 HydrophobicContact CD2-CG1 4.41Å; Y1262-I1277 HydrophobicContact CE2-CG1 4.45Å; Y1262-I1277 HydrophobicContact CE2-CG2 4.02Å; Y1262-H1280 VanDerWaalsContact CB-CG 3.49Å; Y1262-H1280 HydrophobicContact CD2-CB 3.91Å; Y1262-H1280 HydrophobicContact CE2-CB 4.5Å; Y1262-H1280 HydrophobicContact CG-CB 3.93Å; Y1262-H1280 AromaticContact CG-CG 3.94Å; Y1262-H1280 PolarHBondContact O-CE1 2.92Å |
| 1263 | C | 96.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 79.6 Ų | 79.6 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -161.4 | 161.8 | 175.6 | 74 | 0 | 0 | 0 | 0 | 110.4 | C1260 K1265 H1276 H1280 | C1260-C1263 WeakPolarHBondContact CB-O 3.23Å; C1263-K1265 PolarHBondContact O-N 2.53Å; C1263-H1276 PolarHBondContact SG-NE2 2.89Å; C1263-H1280 WeakPolarHBondContact CB-CE1 3.5Å; C1263-H1280 PolarHBondContact SG-CE1 2.65Å; C1263-H1280 PolarHBondContact SG-NE2 3.24Å |
| 1264 | P | 95.5 | Very high | 95.6 | Very high | 140 Ų | 140 | 82.5 Ų | 82.5 | 91% | 0.909 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -70.2 | 10.5 | -175.6 | 29.1 | -37 | 0 | 0 | 0 | 115.3 | | |
| 1265 | K | 96.3 | Very high | 95.8 | Very high | 135 Ų | 135 | 81.6 Ų | 81.6 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | | | trans | -77.1 | 131.8 | 176.1 | -66 | -172.7 | 177.3 | -174.4 | 0 | 110.4 | C1260 C1263 F1267 | C1260-K1265 WeakPolarHBondContact CB-O 3.2Å; C1260-K1265 PolarHBondContact N-O 3.29Å; C1263-K1265 PolarHBondContact O-N 2.53Å; K1265-F1267 HydrophobicContact CB-CE2 3.9Å; K1265-F1267 HydrophobicContact CB-CZ 4.01Å |
| 1266 | A | 96.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 154.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1256 Y1258 P1259 | R1256-A1266 HydrophobicContact CB-CB 3.65Å; R1256-A1266 WeakPolarHBondContact CD-O 3.32Å; R1256-A1266 WeakPolarHBondContact CG-O 3.47Å; R1256-A1266 PolarHBondContact NE-O 3.35Å; R1256-A1266 VanDerWaalsContact NE-O 3.12Å; R1256-A1266 WeakPolarHBondContact O-CB 3.06Å; Y1258-A1266 WeakPolarHBondContact O-CA 3.47Å; P1259-A1266 HydrophobicContact CB-CB 4.24Å |
| 1267 | F | 96.6 | Very high | 96 | Very high | 40 Ų | 40 | 72.2 Ų | 72.2 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 152 | -167.5 | -61.5 | -91.9 | 0 | 0 | 0 | 112.4 | R1256 Y1258 K1265 H1272 L1273 H1276 | R1256-F1267 CarbonylContact C-O 3.52Å; R1256-F1267 VanDerWaalsContact C-O 3.3Å; R1256-F1267 WeakPolarHBondContact CA-O 3.45Å; Y1258-F1267 WeakPolarHBondContact CD2-O 3.38Å; Y1258-F1267 PolarHBondContact N-O 3.19Å; Y1258-F1267 VanDerWaalsContact N-O 3.14Å; Y1258-F1267 PolarHBondContact O-N 3.31Å; K1265-F1267 HydrophobicContact CB-CE2 3.9Å; K1265-F1267 HydrophobicContact CB-CZ 4.01Å; F1267-H1272 HydrophobicContact CB-CB 4.09Å; F1267-H1272 HydrophobicContact CD1-CB 3.87Å; F1267-H1272 HydrophobicContact CG-CB 4.24Å; F1267-L1273 HydrophobicContact CB-CB 4.38Å; F1267-L1273 HydrophobicContact CD2-CB 4.2Å; F1267-L1273 HydrophobicContact CD2-CD1 4.1Å; F1267-L1273 HydrophobicContact CE2-CD1 4.43Å; F1267-L1273 HydrophobicContact CG-CB 4.47Å; F1267-H1276 HydrophobicContact CE1-CB 4.11Å; F1267-H1276 HydrophobicContact CE2-CB 3.95Å; F1267-H1276 AromaticContact CE2-CD2 3.23Å; F1267-H1276 WeakPolarHBondContact CE2-CD2 3.38Å; F1267-H1276 AromaticContact CE2-CG 3.67Å; F1267-H1276 HydrophobicContact CZ-CB 3.6Å; F1267-H1276 AromaticContact CZ-CD2 3.39Å; F1267-H1276 WeakPolarHBondContact CZ-CD2 3.46Å; F1267-H1276 AromaticContact CZ-CG 3.37Å |
| 1268 | P | 94.2 | Very high | 96 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 20% | 0.195 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -81 | -13.7 | 178.7 | 32.6 | -36 | 0 | 0 | 0 | 114.1 | R1250 Y1258 | R1250-P1268 HydrophobicContact CB-CB 4.02Å; R1250-P1268 WeakPolarHBondContact CD-O 3.33Å; R1250-P1268 PolarHBondContact NH1-O 2.9Å; Y1258-P1268 WeakPolarHBondContact CE2-O 3.39Å |
| 1269 | Q | 95 | Very high | 95.9 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -135.2 | 146.1 | 179.8 | -69.3 | -171.4 | -33.6 | 0 | 0 | 112.6 | A1247 D1271 H1272 L1273 | A1247-Q1269 HydrophobicContact CB-CG 3.98Å; A1247-Q1269 VanDerWaalsContact CB-NE2 3.32Å; Q1269-D1271 VanDerWaalsContact C-N 3.31Å; Q1269-D1271 PolarHBondContact O-N 3.3Å; Q1269-H1272 PolarHBondContact O-N 2.78Å; Q1269-H1272 PolarHBondContact OE1-CE1 3.43Å; Q1269-H1272 VanDerWaalsContact OE1-CE1 3.27Å; Q1269-H1272 PolarHBondContact OE1-NE2 2.62Å; Q1269-L1273 PolarHBondContact O-N 3.11Å |
| 1270 | K | 95.5 | Very high | 95.9 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | -179.6 | -172.2 | 175.7 | -179.9 | 179 | 0 | 112.1 | Y1258 L1273 R1274 | Y1258-K1270 HydrophobicContact CD1-CB 4.28Å; Y1258-K1270 HydrophobicContact CE1-CB 4.07Å; K1270-L1273 WeakPolarHBondContact O-CB 3.19Å; K1270-L1273 PolarHBondContact O-N 3.37Å; K1270-R1274 WeakPolarHBondContact O-CG 3.13Å; K1270-R1274 PolarHBondContact O-N 3.49Å |
| 1271 | D | 93 | Very high | 95.8 | Very high | 89 Ų | 89 | 75.2 Ų | 75.2 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -79 | -26.6 | -176.8 | -55.1 | -62.2 | 0 | 0 | 0 | 113.5 | Q1269 R1274 A1275 | Q1269-D1271 VanDerWaalsContact C-N 3.31Å; Q1269-D1271 PolarHBondContact O-N 3.3Å; D1271-R1274 PolarHBondContact O-N 2.75Å; D1271-R1274 VanDerWaalsContact OD1-CD 3.23Å; D1271-R1274 WeakPolarHBondContact OD1-CD 3.44Å; D1271-R1274 IonicContact OD1-CZ 3.74Å; D1271-R1274 IonicContact OD1-NE 3.9Å; D1271-R1274 IonicContact OD1-NH1 2.79Å; D1271-R1274 PolarHBondContact OD1-NH1 3.46Å; D1271-A1275 VanDerWaalsContact O-CB 3.25Å; D1271-A1275 WeakPolarHBondContact O-CB 3.33Å; D1271-A1275 PolarHBondContact O-N 3.43Å |
| 1272 | H | 95.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 68.1 Ų | 68.1 | 43% | 0.431 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 166.1 | -64 | -5.8 | 0 | 0 | 0 | 110.8 | F1267 Q1269 A1275 H1276 | F1267-H1272 HydrophobicContact CB-CB 4.09Å; F1267-H1272 HydrophobicContact CD1-CB 3.87Å; F1267-H1272 HydrophobicContact CG-CB 4.24Å; Q1269-H1272 PolarHBondContact O-N 2.78Å; Q1269-H1272 PolarHBondContact OE1-CE1 3.43Å; Q1269-H1272 VanDerWaalsContact OE1-CE1 3.27Å; Q1269-H1272 PolarHBondContact OE1-NE2 2.62Å; H1272-A1275 PolarHBondContact O-N 3.46Å; H1272-H1276 VanDerWaalsContact O-CB 3.29Å; H1272-H1276 WeakPolarHBondContact O-CB 3.45Å; H1272-H1276 PolarHBondContact O-N 2.86Å |
| 1273 | L | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 172.7 | 172.9 | 62 | 0 | 0 | 0 | 111.6 | P1259 C1260 F1267 Q1269 K1270 A1275 H1276 I1277 | P1259-L1273 WeakPolarHBondContact O-CD2 3.42Å; C1260-L1273 HydrophobicContact CB-CD1 3.85Å; F1267-L1273 HydrophobicContact CB-CB 4.38Å; F1267-L1273 HydrophobicContact CD2-CB 4.2Å; F1267-L1273 HydrophobicContact CD2-CD1 4.1Å; F1267-L1273 HydrophobicContact CE2-CD1 4.43Å; F1267-L1273 HydrophobicContact CG-CB 4.47Å; Q1269-L1273 PolarHBondContact O-N 3.11Å; K1270-L1273 WeakPolarHBondContact O-CB 3.19Å; K1270-L1273 PolarHBondContact O-N 3.37Å; L1273-A1275 PolarHBondContact O-N 2.88Å; L1273-H1276 PolarHBondContact O-N 3.47Å; L1273-I1277 HydrophobicContact CD1-CD1 3.86Å; L1273-I1277 HydrophobicContact CD1-CG1 3.95Å; L1273-I1277 HydrophobicContact CD2-CD1 4.47Å; L1273-I1277 HydrophobicContact CG-CD1 3.87Å; L1273-I1277 HydrophobicContact CG-CG1 4.4Å; L1273-I1277 WeakPolarHBondContact O-CG1 3.48Å; L1273-I1277 PolarHBondContact O-N 2.89Å |
| 1274 | R | 96.5 | Very high | 95.5 | Very high | 121 Ų | 121 | 73 Ų | 73 | 46% | 0.457 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 175.2 | -75.5 | 164 | 152.4 | 178.7 | -11.5 | 111.6 | K1270 D1271 H1276 I1277 R1278 | K1270-R1274 WeakPolarHBondContact O-CG 3.13Å; K1270-R1274 PolarHBondContact O-N 3.49Å; D1271-R1274 PolarHBondContact O-N 2.75Å; D1271-R1274 VanDerWaalsContact OD1-CD 3.23Å; D1271-R1274 WeakPolarHBondContact OD1-CD 3.44Å; D1271-R1274 IonicContact OD1-CZ 3.74Å; D1271-R1274 IonicContact OD1-NE 3.9Å; D1271-R1274 IonicContact OD1-NH1 2.79Å; D1271-R1274 PolarHBondContact OD1-NH1 3.46Å; R1274-H1276 VanDerWaalsContact C-N 3.31Å; R1274-H1276 PolarHBondContact O-N 3.46Å; R1274-I1277 PolarHBondContact O-N 3.3Å; R1274-R1278 PolarHBondContact O-N 3.01Å |
| 1275 | A | 95.9 | Very high | 95.5 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | D1271 H1272 L1273 Q1297 | D1271-A1275 VanDerWaalsContact O-CB 3.25Å; D1271-A1275 WeakPolarHBondContact O-CB 3.33Å; D1271-A1275 PolarHBondContact O-N 3.43Å; H1272-A1275 PolarHBondContact O-N 3.46Å; L1273-A1275 PolarHBondContact O-N 2.88Å; A1275-Q1297 HydrophobicContact CB-CG 4.22Å |
| 1276 | H | 96.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 11% | 0.106 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -75.6 | -37 | 173.2 | 172.4 | 51.1 | 0 | 0 | 0 | 113.2 | C1260 C1263 F1267 H1272 L1273 R1274 R1278 T1279 H1280 | C1260-H1276 VanDerWaalsContact SG-CD2 3.52Å; C1260-H1276 PolarHBondContact SG-NE2 3.12Å; C1260-H1276 VanDerWaalsContact SG-NE2 3.43Å; C1263-H1276 PolarHBondContact SG-NE2 2.89Å; F1267-H1276 HydrophobicContact CE1-CB 4.11Å; F1267-H1276 HydrophobicContact CE2-CB 3.95Å; F1267-H1276 AromaticContact CE2-CD2 3.23Å; F1267-H1276 WeakPolarHBondContact CE2-CD2 3.38Å; F1267-H1276 AromaticContact CE2-CG 3.67Å; F1267-H1276 HydrophobicContact CZ-CB 3.6Å; F1267-H1276 AromaticContact CZ-CD2 3.39Å; F1267-H1276 WeakPolarHBondContact CZ-CD2 3.46Å; F1267-H1276 AromaticContact CZ-CG 3.37Å; H1272-H1276 VanDerWaalsContact O-CB 3.29Å; H1272-H1276 WeakPolarHBondContact O-CB 3.45Å; H1272-H1276 PolarHBondContact O-N 2.86Å; L1273-H1276 PolarHBondContact O-N 3.47Å; R1274-H1276 VanDerWaalsContact C-N 3.31Å; R1274-H1276 PolarHBondContact O-N 3.46Å; H1276-R1278 PolarHBondContact O-N 2.9Å; H1276-T1279 PolarHBondContact ND1-OG1 3.23Å; H1276-T1279 WeakPolarHBondContact O-CB 3.49Å; H1276-T1279 PolarHBondContact O-N 3.2Å; H1276-T1279 PolarHBondContact O-OG1 3.16Å; H1276-H1280 AromaticContact CD2-NE2 3.4Å; H1276-H1280 PolarHBondContact CD2-NE2 2.91Å; H1276-H1280 AromaticContact CE1-CD2 3.63Å; H1276-H1280 AromaticContact CE1-NE2 2.53Å; H1276-H1280 PolarHBondContact CE1-NE2 3.14Å; H1276-H1280 AromaticContact ND1-NE2 3.7Å; H1276-H1280 AromaticContact NE2-CD2 3.59Å; H1276-H1280 AromaticContact NE2-NE2 2.21Å; H1276-H1280 PolarHBondContact NE2-NE2 3.12Å |
| 1277 | I | 96.7 | Very high | 95.5 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.205 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.3 | -34.5 | 176 | -77.4 | 167.5 | 0 | 0 | 0 | 110.9 | Y1262 L1273 R1274 T1279 H1280 T1281 | Y1262-I1277 HydrophobicContact CD2-CG1 4.41Å; Y1262-I1277 HydrophobicContact CE2-CG1 4.45Å; Y1262-I1277 HydrophobicContact CE2-CG2 4.02Å; L1273-I1277 HydrophobicContact CD1-CD1 3.86Å; L1273-I1277 HydrophobicContact CD1-CG1 3.95Å; L1273-I1277 HydrophobicContact CD2-CD1 4.47Å; L1273-I1277 HydrophobicContact CG-CD1 3.87Å; L1273-I1277 HydrophobicContact CG-CG1 4.4Å; L1273-I1277 WeakPolarHBondContact O-CG1 3.48Å; L1273-I1277 PolarHBondContact O-N 2.89Å; R1274-I1277 PolarHBondContact O-N 3.3Å; I1277-T1279 PolarHBondContact O-N 2.9Å; I1277-H1280 WeakPolarHBondContact O-CA 3.34Å; I1277-H1280 WeakPolarHBondContact O-CB 3.38Å; I1277-H1280 PolarHBondContact O-N 2.85Å; I1277-T1281 HydrophobicContact CG2-CG2 4.22Å; I1277-T1281 PolarHBondContact O-N 2.77Å; I1277-T1281 PolarHBondContact O-OG1 2.66Å |
| 1278 | R | 96.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 72.4 Ų | 72.4 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.6 | -18.3 | 173.2 | -65.1 | 179.3 | -177.7 | 153.7 | 1.5 | 114.6 | R1274 H1276 H1280 T1281 G1282 E1283 Y1286 A1296 | R1274-R1278 PolarHBondContact O-N 3.01Å; H1276-R1278 PolarHBondContact O-N 2.9Å; R1278-H1280 VanDerWaalsContact C-N 3.3Å; R1278-T1281 WeakPolarHBondContact CA-OG1 3.45Å; R1278-G1282 WeakPolarHBondContact O-CA 3.43Å; R1278-G1282 PolarHBondContact O-N 3.1Å; R1278-E1283 HydrophobicContact CG-CB 4.24Å; R1278-Y1286 PolarHBondContact NH1-OH 3.2Å; R1278-A1296 HydrophobicContact CB-CB 4.02Å; R1278-A1296 WeakPolarHBondContact CD-O 3.47Å; R1278-A1296 PolarHBondContact NH1-O 2.79Å |
| 1279 | T | 95.5 | Very high | 95.6 | Very high | 97 Ų | 97 | 76 Ų | 76 | 60% | 0.595 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -79 | -14.8 | 170.4 | 75.9 | 0 | 0 | 0 | 0 | 112.8 | H1276 I1277 | H1276-T1279 PolarHBondContact ND1-OG1 3.23Å; H1276-T1279 WeakPolarHBondContact O-CB 3.49Å; H1276-T1279 PolarHBondContact O-N 3.2Å; H1276-T1279 PolarHBondContact O-OG1 3.16Å; I1277-T1279 PolarHBondContact O-N 2.9Å |
| 1280 | H | 96.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.398 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -95.7 | -41.5 | 173.1 | -67.8 | -78.3 | 0 | 0 | 0 | 112.2 | C1260 Y1262 C1263 H1276 I1277 R1278 G1282 | C1260-H1280 PolarHBondContact SG-NE2 2.21Å; Y1262-H1280 VanDerWaalsContact CB-CG 3.49Å; Y1262-H1280 HydrophobicContact CD2-CB 3.91Å; Y1262-H1280 HydrophobicContact CE2-CB 4.5Å; Y1262-H1280 HydrophobicContact CG-CB 3.93Å; Y1262-H1280 AromaticContact CG-CG 3.94Å; Y1262-H1280 PolarHBondContact O-CE1 2.92Å; C1263-H1280 WeakPolarHBondContact CB-CE1 3.5Å; C1263-H1280 PolarHBondContact SG-CE1 2.65Å; C1263-H1280 PolarHBondContact SG-NE2 3.24Å; H1276-H1280 AromaticContact CD2-NE2 3.4Å; H1276-H1280 PolarHBondContact CD2-NE2 2.91Å; H1276-H1280 AromaticContact CE1-CD2 3.63Å; H1276-H1280 AromaticContact CE1-NE2 2.53Å; H1276-H1280 PolarHBondContact CE1-NE2 3.14Å; H1276-H1280 AromaticContact ND1-NE2 3.7Å; H1276-H1280 AromaticContact NE2-CD2 3.59Å; H1276-H1280 AromaticContact NE2-NE2 2.21Å; H1276-H1280 PolarHBondContact NE2-NE2 3.12Å; I1277-H1280 WeakPolarHBondContact O-CA 3.34Å; I1277-H1280 WeakPolarHBondContact O-CB 3.38Å; I1277-H1280 PolarHBondContact O-N 2.85Å; R1278-H1280 VanDerWaalsContact C-N 3.3Å; H1280-G1282 VanDerWaalsContact C-N 3.31Å |
| 1281 | T | 94.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.5 | -17 | 176.4 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | I1277 R1278 E1283 | I1277-T1281 HydrophobicContact CG2-CG2 4.22Å; I1277-T1281 PolarHBondContact O-N 2.77Å; I1277-T1281 PolarHBondContact O-OG1 2.66Å; R1278-T1281 WeakPolarHBondContact CA-OG1 3.45Å; T1281-E1283 PolarHBondContact O-N 3.25Å; T1281-E1283 WeakPolarHBondContact OG1-CB 3.38Å; T1281-E1283 VanDerWaalsContact OG1-CG 3.31Å; T1281-E1283 WeakPolarHBondContact OG1-CG 3.48Å; T1281-E1283 PolarHBondContact OG1-N 2.77Å; T1281-E1283 PolarHBondContact OG1-OE2 3.16Å |
| 1282 | G | 93.5 | Very high | 95.7 | Very high | 47 Ų | 47 | 77.8 Ų | 77.8 | 49% | 0.485 | 40% | 0.395 | S | S | . | . | | | trans | 72.6 | 3.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1278 H1280 K1284 | R1278-G1282 WeakPolarHBondContact O-CA 3.43Å; R1278-G1282 PolarHBondContact O-N 3.1Å; H1280-G1282 VanDerWaalsContact C-N 3.31Å; G1282-K1284 PolarHBondContact O-N 3.45Å |
| 1283 | E | 94.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | | | trans | -61.7 | 126.3 | -175.1 | -76.9 | 163 | -167.2 | 0 | 0 | 112.7 | R1278 T1281 P1285 A1296 | R1278-E1283 HydrophobicContact CG-CB 4.24Å; T1281-E1283 PolarHBondContact O-N 3.25Å; T1281-E1283 WeakPolarHBondContact OG1-CB 3.38Å; T1281-E1283 VanDerWaalsContact OG1-CG 3.31Å; T1281-E1283 WeakPolarHBondContact OG1-CG 3.48Å; T1281-E1283 PolarHBondContact OG1-N 2.77Å; T1281-E1283 PolarHBondContact OG1-OE2 3.16Å; E1283-P1285 WeakPolarHBondContact O-CD 3.36Å; E1283-A1296 WeakPolarHBondContact O-CB 3.48Å |
| 1284 | K | 95.3 | Very high | 95.7 | Very high | 127 Ų | 127 | 80.1 Ų | 80.1 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | | | trans | -126.4 | 70.7 | -179.5 | -71 | 165.6 | -178.3 | 177.2 | 0 | 110 | G1282 Y1286 A1294 F1295 | G1282-K1284 PolarHBondContact O-N 3.45Å; K1284-Y1286 VanDerWaalsContact C-N 3.31Å; K1284-Y1286 PolarHBondContact O-N 3.13Å; K1284-A1294 HydrophobicContact CB-CB 3.62Å; K1284-A1294 HydrophobicContact CD-CB 4.41Å; K1284-F1295 CarbonylContact C-O 3.56Å; K1284-F1295 WeakPolarHBondContact CA-O 3.36Å |
| 1285 | P | 93.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 76.6 Ų | 76.6 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | | | trans | -65.9 | -30.7 | -174 | 25.2 | -33.6 | 0 | 0 | 0 | 113.2 | E1283 R1287 | E1283-P1285 WeakPolarHBondContact O-CD 3.36Å; P1285-R1287 PolarHBondContact O-N 3.28Å |
| 1286 | Y | 96.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 76.9 Ų | 76.9 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 97.3 | -174.1 | -50 | -70.9 | 0 | 0 | 0 | 111.1 | R1278 K1284 A1294 F1295 L1298 | R1278-Y1286 PolarHBondContact NH1-OH 3.2Å; K1284-Y1286 VanDerWaalsContact C-N 3.31Å; K1284-Y1286 PolarHBondContact O-N 3.13Å; Y1286-A1294 CarbonylContact O-C 3.6Å; Y1286-F1295 WeakPolarHBondContact CD2-O 3.45Å; Y1286-F1295 PolarHBondContact N-O 2.81Å; Y1286-F1295 VanDerWaalsContact N-O 3.15Å; Y1286-F1295 PolarHBondContact O-N 2.9Å; Y1286-L1298 HydrophobicContact CD1-CB 4.09Å; Y1286-L1298 HydrophobicContact CD1-CD1 3.82Å; Y1286-L1298 HydrophobicContact CD2-CB 4.35Å; Y1286-L1298 VanDerWaalsContact CD2-N 3.28Å; Y1286-L1298 HydrophobicContact CE1-CB 3.96Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.24Å; Y1286-L1298 HydrophobicContact CE2-CB 4.21Å; Y1286-L1298 VanDerWaalsContact CE2-N 3.32Å; Y1286-L1298 HydrophobicContact CG-CB 4.29Å; Y1286-L1298 HydrophobicContact CG-CD1 4.34Å |
| 1287 | R | 96.5 | Very high | 95.7 | Very high | 184 Ų | 184 | 79.8 Ų | 79.8 | 69% | 0.694 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.6 | 175.5 | -66.4 | -175.5 | -179.6 | -178.8 | 0.2 | 111.9 | P1285 A1294 L1301 | P1285-R1287 PolarHBondContact O-N 3.28Å; R1287-A1294 HydrophobicContact CG-CB 3.97Å; R1287-L1301 WeakPolarHBondContact O-CD2 3.44Å |
| 1288 | C | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | | | trans | -80.9 | 124.6 | 173 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | Q1290 L1292 K1293 F1295 L1301 H1308 | C1288-Q1290 PolarHBondContact O-N 3.41Å; C1288-L1292 WeakPolarHBondContact O-CA 3.44Å; C1288-L1292 PolarHBondContact O-N 3.02Å; C1288-K1293 WeakPolarHBondContact CB-O 3.1Å; C1288-K1293 PolarHBondContact N-O 3.27Å; C1288-F1295 HydrophobicContact CB-CE2 4.43Å; C1288-L1301 HydrophobicContact CB-CD1 3.67Å; C1288-H1308 PolarHBondContact SG-NE2 3.19Å; C1288-H1308 VanDerWaalsContact SG-NE2 3.4Å |
| 1289 | P | 95 | Very high | 95.6 | Very high | 107 Ų | 107 | 80.9 Ų | 80.9 | 70% | 0.695 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.8 | -179.4 | 26.2 | -34.2 | 0 | 0 | 0 | 113.2 | | |
| 1290 | Q | 95.2 | Very high | 95.6 | Very high | 112 Ų | 112 | 78.5 Ų | 78.5 | 52% | 0.523 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -22.9 | -174.4 | -66.8 | 170.3 | -73.3 | 0 | 0 | 114.3 | C1288 H1308 | C1288-Q1290 PolarHBondContact O-N 3.41Å; Q1290-H1308 PolarHBondContact OE1-CD2 3Å |
| 1291 | C | 96.6 | Very high | 95.6 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 32% | 0.324 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.2 | 12.3 | -179 | 75.5 | 0 | 0 | 0 | 0 | 114.6 | K1293 H1304 H1308 | C1291-K1293 PolarHBondContact O-N 3.4Å; C1291-H1304 PolarHBondContact SG-NE2 2.84Å; C1291-H1308 VanDerWaalsContact SG-CE1 3.56Å; C1291-H1308 PolarHBondContact SG-NE2 2.73Å |
| 1292 | L | 94.7 | Very high | 95.7 | Very high | 134 Ų | 134 | 77.8 Ų | 77.8 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | | | trans | 59.4 | -1.6 | 176.3 | -52.4 | -179.9 | 0 | 0 | 0 | 116.9 | C1288 A1294 | C1288-L1292 WeakPolarHBondContact O-CA 3.44Å; C1288-L1292 PolarHBondContact O-N 3.02Å; L1292-A1294 PolarHBondContact O-N 2.98Å |
| 1293 | K | 96.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 81.8 Ų | 81.8 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | | | trans | -56.2 | 133 | 174.6 | -71.3 | -177.8 | -179.8 | 179.4 | 0 | 111 | C1288 C1291 F1295 | C1288-K1293 WeakPolarHBondContact CB-O 3.1Å; C1288-K1293 PolarHBondContact N-O 3.27Å; C1291-K1293 PolarHBondContact O-N 3.4Å; K1293-F1295 HydrophobicContact CB-CE2 3.88Å; K1293-F1295 HydrophobicContact CB-CZ 4.05Å; K1293-F1295 WeakPolarHBondContact O-CD2 3.47Å; K1293-F1295 VanDerWaalsContact O-CE2 3.26Å; K1293-F1295 WeakPolarHBondContact O-CE2 3.11Å |
| 1294 | A | 96.6 | Very high | 96 | Very high | 35 Ų | 35 | 78 Ų | 78 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1284 Y1286 R1287 L1292 | K1284-A1294 HydrophobicContact CB-CB 3.62Å; K1284-A1294 HydrophobicContact CD-CB 4.41Å; Y1286-A1294 CarbonylContact O-C 3.6Å; R1287-A1294 HydrophobicContact CG-CB 3.97Å; L1292-A1294 PolarHBondContact O-N 2.98Å |
| 1295 | F | 96.4 | Very high | 96 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.7 | -174.2 | -58.7 | -90.1 | 0 | 0 | 0 | 111.9 | K1284 Y1286 C1288 K1293 Q1297 N1300 L1301 H1304 | K1284-F1295 CarbonylContact C-O 3.56Å; K1284-F1295 WeakPolarHBondContact CA-O 3.36Å; Y1286-F1295 WeakPolarHBondContact CD2-O 3.45Å; Y1286-F1295 PolarHBondContact N-O 2.81Å; Y1286-F1295 VanDerWaalsContact N-O 3.15Å; Y1286-F1295 PolarHBondContact O-N 2.9Å; C1288-F1295 HydrophobicContact CB-CE2 4.43Å; K1293-F1295 HydrophobicContact CB-CE2 3.88Å; K1293-F1295 HydrophobicContact CB-CZ 4.05Å; K1293-F1295 WeakPolarHBondContact O-CD2 3.47Å; K1293-F1295 VanDerWaalsContact O-CE2 3.26Å; K1293-F1295 WeakPolarHBondContact O-CE2 3.11Å; F1295-Q1297 VanDerWaalsContact C-N 3.31Å; F1295-N1300 HydrophobicContact CB-CB 4.32Å; F1295-N1300 HydrophobicContact CD1-CB 3.99Å; F1295-N1300 HydrophobicContact CG-CB 4.42Å; F1295-L1301 HydrophobicContact CB-CB 4.43Å; F1295-L1301 HydrophobicContact CD2-CB 4.1Å; F1295-L1301 HydrophobicContact CD2-CD1 4.08Å; F1295-L1301 HydrophobicContact CE2-CD1 4.28Å; F1295-L1301 HydrophobicContact CG-CB 4.43Å; F1295-H1304 HydrophobicContact CE1-CB 4.17Å; F1295-H1304 HydrophobicContact CE2-CB 4.09Å; F1295-H1304 AromaticContact CE2-CD2 3.31Å; F1295-H1304 WeakPolarHBondContact CE2-CD2 3.12Å; F1295-H1304 AromaticContact CE2-CG 3.89Å; F1295-H1304 HydrophobicContact CZ-CB 3.66Å; F1295-H1304 AromaticContact CZ-CD2 3.29Å; F1295-H1304 WeakPolarHBondContact CZ-CD2 3.31Å; F1295-H1304 AromaticContact CZ-CG 3.46Å; F1295-H1304 VanDerWaalsContact CZ-CG 3.46Å |
| 1296 | A | 95.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 77.3 Ų | 77.3 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -77.2 | -14.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | R1278 E1283 | R1278-A1296 HydrophobicContact CB-CB 4.02Å; R1278-A1296 WeakPolarHBondContact CD-O 3.47Å; R1278-A1296 PolarHBondContact NH1-O 2.79Å; E1283-A1296 WeakPolarHBondContact O-CB 3.48Å |
| 1297 | Q | 95.5 | Very high | 96 | Very high | 84 Ų | 84 | 77.1 Ų | 77.1 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -138.9 | 137.5 | -176.4 | -61.3 | 177.6 | 5.4 | 0 | 0 | 111.2 | A1275 F1295 G1299 N1300 L1301 | A1275-Q1297 HydrophobicContact CB-CG 4.22Å; F1295-Q1297 VanDerWaalsContact C-N 3.31Å; Q1297-G1299 VanDerWaalsContact C-N 3.33Å; Q1297-G1299 PolarHBondContact O-N 3.44Å; Q1297-N1300 WeakPolarHBondContact O-CB 3.36Å; Q1297-N1300 PolarHBondContact O-N 3.17Å; Q1297-N1300 VanDerWaalsContact O-N 3.12Å; Q1297-N1300 PolarHBondContact OE1-ND2 2.6Å; Q1297-L1301 PolarHBondContact O-N 2.9Å |
| 1298 | L | 95.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 40% | 0.403 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | -178.3 | -176.6 | 62 | 0 | 0 | 0 | 112.6 | Y1286 N1300 L1301 H1302 | Y1286-L1298 HydrophobicContact CD1-CB 4.09Å; Y1286-L1298 HydrophobicContact CD1-CD1 3.82Å; Y1286-L1298 HydrophobicContact CD2-CB 4.35Å; Y1286-L1298 VanDerWaalsContact CD2-N 3.28Å; Y1286-L1298 HydrophobicContact CE1-CB 3.96Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.24Å; Y1286-L1298 HydrophobicContact CE2-CB 4.21Å; Y1286-L1298 VanDerWaalsContact CE2-N 3.32Å; Y1286-L1298 HydrophobicContact CG-CB 4.29Å; Y1286-L1298 HydrophobicContact CG-CD1 4.34Å; L1298-N1300 VanDerWaalsContact C-N 3.25Å; L1298-N1300 PolarHBondContact O-N 2.94Å; L1298-L1301 HydrophobicContact CD1-CD2 4.26Å; L1298-L1301 WeakPolarHBondContact O-CB 3.44Å; L1298-L1301 PolarHBondContact O-N 3.48Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1298-H1302 WeakPolarHBondContact CD1-NE2 3.24Å; L1298-H1302 PolarHBondContact O-N 2.98Å |
| 1299 | G | 95.3 | Very high | 95.3 | Very high | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.4 | -32.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1297 R1303 | Q1297-G1299 VanDerWaalsContact C-N 3.33Å; Q1297-G1299 PolarHBondContact O-N 3.44Å; G1299-R1303 WeakPolarHBondContact O-CB 3.27Å; G1299-R1303 PolarHBondContact O-N 3.45Å |
| 1300 | N | 96.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 89 Ų | 89 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73 | -38.7 | 174.1 | -75.8 | -39.5 | 0 | 0 | 0 | 111.8 | F1295 Q1297 L1298 R1303 H1304 | F1295-N1300 HydrophobicContact CB-CB 4.32Å; F1295-N1300 HydrophobicContact CD1-CB 3.99Å; F1295-N1300 HydrophobicContact CG-CB 4.42Å; Q1297-N1300 WeakPolarHBondContact O-CB 3.36Å; Q1297-N1300 PolarHBondContact O-N 3.17Å; Q1297-N1300 VanDerWaalsContact O-N 3.12Å; Q1297-N1300 PolarHBondContact OE1-ND2 2.6Å; L1298-N1300 VanDerWaalsContact C-N 3.25Å; L1298-N1300 PolarHBondContact O-N 2.94Å; N1300-R1303 PolarHBondContact O-N 3.23Å; N1300-R1303 PolarHBondContact OD1-NH2 3.44Å; N1300-H1304 WeakPolarHBondContact O-CB 3.39Å; N1300-H1304 PolarHBondContact O-N 2.8Å |
| 1301 | L | 97 | Very high | 94.1 | Very high | 18 Ų | 18 | 87.9 Ų | 87.9 | 9% | 0.094 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.5 | -47.6 | 169.9 | 172.2 | 60.1 | 0 | 0 | 0 | 111.2 | R1287 C1288 F1295 Q1297 L1298 R1303 H1304 V1305 | R1287-L1301 WeakPolarHBondContact O-CD2 3.44Å; C1288-L1301 HydrophobicContact CB-CD1 3.67Å; F1295-L1301 HydrophobicContact CB-CB 4.43Å; F1295-L1301 HydrophobicContact CD2-CB 4.1Å; F1295-L1301 HydrophobicContact CD2-CD1 4.08Å; F1295-L1301 HydrophobicContact CE2-CD1 4.28Å; F1295-L1301 HydrophobicContact CG-CB 4.43Å; Q1297-L1301 PolarHBondContact O-N 2.9Å; L1298-L1301 HydrophobicContact CD1-CD2 4.26Å; L1298-L1301 WeakPolarHBondContact O-CB 3.44Å; L1298-L1301 PolarHBondContact O-N 3.48Å; L1298-L1301 VanDerWaalsContact O-N 3.11Å; L1301-R1303 PolarHBondContact O-N 3.38Å; L1301-H1304 CarbonylContact O-C 3.38Å; L1301-H1304 PolarHBondContact O-N 3.19Å; L1301-H1304 VanDerWaalsContact O-N 3.09Å; L1301-V1305 HydrophobicContact CD1-CG2 3.72Å; L1301-V1305 HydrophobicContact CG-CG2 4.28Å; L1301-V1305 WeakPolarHBondContact O-CG2 3.46Å; L1301-V1305 PolarHBondContact O-N 2.84Å |
| 1302 | H | 96.6 | Very high | 94 | Very high | 108 Ų | 108 | 90 Ų | 90 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 178.8 | -71.2 | 178.8 | 0 | 0 | 0 | 112.8 | L1298 H1304 K1306 | L1298-H1302 WeakPolarHBondContact CD1-NE2 3.24Å; L1298-H1302 PolarHBondContact O-N 2.98Å; H1302-H1304 VanDerWaalsContact C-N 3.31Å; H1302-H1304 PolarHBondContact O-N 3.48Å; H1302-K1306 WeakPolarHBondContact O-CG 3.45Å; H1302-K1306 PolarHBondContact O-N 3.13Å |
| 1303 | R | 96.6 | Very high | 94 | Very high | 130 Ų | 130 | 87.6 Ų | 87.6 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 172.4 | 176.2 | 162 | 58 | 169.9 | -3.9 | 111.6 | G1299 N1300 L1301 | G1299-R1303 WeakPolarHBondContact O-CB 3.27Å; G1299-R1303 PolarHBondContact O-N 3.45Å; N1300-R1303 PolarHBondContact O-N 3.23Å; N1300-R1303 PolarHBondContact OD1-NH2 3.44Å; L1301-R1303 PolarHBondContact O-N 3.38Å |
| 1304 | H | 96.9 | Very high | 93.8 | Very high | 25 Ų | 25 | 84.9 Ų | 84.9 | 12% | 0.116 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.1 | -40.2 | 177.6 | 175.3 | 46.3 | 0 | 0 | 0 | 113.9 | C1291 F1295 N1300 L1301 H1302 K1306 T1307 H1308 | C1291-H1304 PolarHBondContact SG-NE2 2.84Å; F1295-H1304 HydrophobicContact CE1-CB 4.17Å; F1295-H1304 HydrophobicContact CE2-CB 4.09Å; F1295-H1304 AromaticContact CE2-CD2 3.31Å; F1295-H1304 WeakPolarHBondContact CE2-CD2 3.12Å; F1295-H1304 AromaticContact CE2-CG 3.89Å; F1295-H1304 HydrophobicContact CZ-CB 3.66Å; F1295-H1304 AromaticContact CZ-CD2 3.29Å; F1295-H1304 WeakPolarHBondContact CZ-CD2 3.31Å; F1295-H1304 AromaticContact CZ-CG 3.46Å; F1295-H1304 VanDerWaalsContact CZ-CG 3.46Å; N1300-H1304 WeakPolarHBondContact O-CB 3.39Å; N1300-H1304 PolarHBondContact O-N 2.8Å; L1301-H1304 CarbonylContact O-C 3.38Å; L1301-H1304 PolarHBondContact O-N 3.19Å; L1301-H1304 VanDerWaalsContact O-N 3.09Å; H1302-H1304 VanDerWaalsContact C-N 3.31Å; H1302-H1304 PolarHBondContact O-N 3.48Å; H1304-K1306 PolarHBondContact O-N 2.64Å; H1304-T1307 PolarHBondContact ND1-OG1 2.62Å; H1304-T1307 VanDerWaalsContact ND1-OG1 3.16Å; H1304-T1307 WeakPolarHBondContact O-CA 3.32Å; H1304-T1307 WeakPolarHBondContact O-CB 3.21Å; H1304-T1307 PolarHBondContact O-N 3.05Å; H1304-T1307 PolarHBondContact O-OG1 3.23Å; H1304-H1308 AromaticContact CD2-NE2 3.92Å; H1304-H1308 AromaticContact CE1-CE1 3.48Å; H1304-H1308 PolarHBondContact CE1-CE1 3.28Å; H1304-H1308 VanDerWaalsContact CE1-CE1 3.48Å; H1304-H1308 AromaticContact CE1-NE2 3.2Å; H1304-H1308 PolarHBondContact CE1-NE2 2.89Å; H1304-H1308 AromaticContact NE2-CE1 3.72Å; H1304-H1308 AromaticContact NE2-NE2 3.07Å; H1304-H1308 PolarHBondContact NE2-NE2 3.01Å |
| 1305 | V | 95.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 88 Ų | 88 | 21% | 0.212 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.1 | -29.1 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L1301 T1307 H1308 | L1301-V1305 HydrophobicContact CD1-CG2 3.72Å; L1301-V1305 HydrophobicContact CG-CG2 4.28Å; L1301-V1305 WeakPolarHBondContact O-CG2 3.46Å; L1301-V1305 PolarHBondContact O-N 2.84Å; V1305-T1307 VanDerWaalsContact C-N 3.27Å; V1305-T1307 PolarHBondContact O-N 3.04Å; V1305-H1308 PolarHBondContact O-N 3.02Å |
| 1306 | K | 95.6 | Very high | 93.5 | Very high | 151 Ų | 151 | 90.7 Ų | 90.7 | 66% | 0.657 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -67.2 | -19.4 | 169.9 | -69.3 | 178.3 | 179.7 | -173 | 0 | 114.2 | H1302 H1304 H1308 R1309 | H1302-K1306 WeakPolarHBondContact O-CG 3.45Å; H1302-K1306 PolarHBondContact O-N 3.13Å; H1304-K1306 PolarHBondContact O-N 2.64Å; K1306-H1308 VanDerWaalsContact C-N 3.31Å; K1306-R1309 PolarHBondContact O-N 2.84Å |
| 1307 | T | 95.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 95.4 Ų | 95.4 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -80.9 | -10.4 | 172.7 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | H1304 V1305 R1309 | H1304-T1307 PolarHBondContact ND1-OG1 2.62Å; H1304-T1307 VanDerWaalsContact ND1-OG1 3.16Å; H1304-T1307 WeakPolarHBondContact O-CA 3.32Å; H1304-T1307 WeakPolarHBondContact O-CB 3.21Å; H1304-T1307 PolarHBondContact O-N 3.05Å; H1304-T1307 PolarHBondContact O-OG1 3.23Å; V1305-T1307 VanDerWaalsContact C-N 3.27Å; V1305-T1307 PolarHBondContact O-N 3.04Å; T1307-R1309 VanDerWaalsContact C-N 3.35Å |
| 1308 | H | 93.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 96.2 Ų | 96.2 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -95.8 | 9.6 | 168.9 | -55.5 | -55.5 | 0 | 0 | 0 | 112.6 | C1288 Q1290 C1291 H1304 V1305 K1306 | C1288-H1308 PolarHBondContact SG-NE2 3.19Å; C1288-H1308 VanDerWaalsContact SG-NE2 3.4Å; Q1290-H1308 PolarHBondContact OE1-CD2 3Å; C1291-H1308 VanDerWaalsContact SG-CE1 3.56Å; C1291-H1308 PolarHBondContact SG-NE2 2.73Å; H1304-H1308 AromaticContact CD2-NE2 3.92Å; H1304-H1308 AromaticContact CE1-CE1 3.48Å; H1304-H1308 PolarHBondContact CE1-CE1 3.28Å; H1304-H1308 VanDerWaalsContact CE1-CE1 3.48Å; H1304-H1308 AromaticContact CE1-NE2 3.2Å; H1304-H1308 PolarHBondContact CE1-NE2 2.89Å; H1304-H1308 AromaticContact NE2-CE1 3.72Å; H1304-H1308 AromaticContact NE2-NE2 3.07Å; H1304-H1308 PolarHBondContact NE2-NE2 3.01Å; V1305-H1308 PolarHBondContact O-N 3.02Å; K1306-H1308 VanDerWaalsContact C-N 3.31Å |
| 1309 | R | 86.4 | Confident | 93 | Very high | 209 Ų | 209 | 97.8 Ų | 97.8 | 79% | 0.789 | 45% | 0.446 | S | S | * | . | | | trans | -115.3 | 25 | 169.5 | -62.2 | -172.8 | 179 | -170.9 | -1.2 | 110.9 | K1306 T1307 | K1306-R1309 PolarHBondContact O-N 2.84Å; T1307-R1309 VanDerWaalsContact C-N 3.35Å |
| 1310 | R | 71.2 | Confident | 92.8 | Very high | 274 Ų | 274 | 102.2 Ų | 102.2 | 100% | 1.034 | 44% | 0.439 | S | S | * | . | | | trans | -133.2 | 0 | 175.3 | -70.7 | -178.2 | 173.2 | -170.2 | -5 | 106.9 | | |