| 1 | A | 39.6 | Very low | 49.6 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 100% | 1.256 | 81% | 0.805 | S | S | * | * | | | | 0 | 147.9 | 0 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 2 | S | 38.8 | Very low | 49.1 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | 32.5 | 123.8 | 166.9 | -50 | 0 | 0 | 0 | 0 | 121.6 | | |
| 3 | Q | 52.7 | Low | 48.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -64.6 | 176.8 | 156 | -108.2 | 178.5 | -2.1 | 0 | 0 | 112.5 | L5 | Q3-L5 VanDerWaalsContact NE2-CD1 3.33Š|
| 4 | P | 68.2 | Low | 47.8 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | cis | -138.7 | 177.5 | 36 | 36.7 | -15.5 | 0 | 0 | 0 | 117.8 | | |
| 5 | L | 49 | Very low | 47 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | cis | -151.8 | -84.8 | -31 | 172.3 | 69.2 | 0 | 0 | 0 | 113.2 | Q3 | Q3-L5 VanDerWaalsContact NE2-CD1 3.33Š|
| 6 | P | 69.8 | Low | 46.4 | Very low | 100 Ų | 100 | 133.9 Ų | 133.9 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | trans | -134.3 | 163 | -159.5 | 43 | -24.5 | 0 | 0 | 0 | 118.5 | | |
| 7 | T | 37 | Very low | 47.3 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | | | | -166 | 156.4 | 106.5 | -63 | 0 | 0 | 0 | 0 | 108.8 | | |
| 8 | E | 41 | Very low | 46.3 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -109.3 | -176.7 | -158 | -85.1 | -175.2 | 149 | 0 | 0 | 114.3 | | |
| 9 | P | 64.1 | Low | 45.4 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | cis | -139 | -170.4 | -38.2 | 38 | -19.3 | 0 | 0 | 0 | 115.1 | | |
| 10 | D | 44.9 | Very low | 46.2 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 176.4 | 173.2 | -46.5 | -91.2 | 0 | 0 | 0 | 115.3 | | |
| 11 | G | 40.5 | Very low | 45.5 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | cis | 143.2 | 172.8 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 12 | I | 43.9 | Very low | 45.1 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 74.9 | 127.8 | 147.2 | -60.9 | 162.8 | 0 | 0 | 0 | 117.6 | | |
| 13 | T | 40.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | cis | 113.1 | 137 | 36.5 | -99.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 14 | E | 39.7 | Very low | 43.9 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | cis | -163.5 | 170.3 | 2.1 | -103 | 152.6 | -126.5 | 0 | 0 | 113 | | |
| 15 | E | 35.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | 56.8 | 120.4 | 157.9 | -69.1 | -159.5 | 147.2 | 0 | 0 | 123.6 | | |
| 16 | L | 37.5 | Very low | 41.6 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | | | | 79.9 | 155 | 79.1 | -69.3 | 178 | 0 | 0 | 0 | 116.8 | | |
| 17 | P | 61 | Low | 40.1 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | cis | -139.1 | -161.3 | -47.7 | 41.9 | -23.8 | 0 | 0 | 0 | 114.4 | | |
| 18 | S | 29.6 | Very low | 40.1 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | | | trans | 110.2 | 172.4 | 160.5 | 78.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 19 | E | 28.9 | Very low | 40.1 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -130.2 | -155.9 | -135 | -148.7 | -156.4 | 154.1 | 0 | 0 | 115.4 | | |
| 20 | P | 61.2 | Low | 39 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | | -114.6 | 169.1 | -119.8 | 42.1 | -26.9 | 0 | 0 | 0 | 117.6 | | |
| 21 | V | 31.8 | Very low | 38.7 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -144.1 | 146.6 | 170.9 | -176.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 22 | H | 32.7 | Very low | 39 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -53 | 159.5 | 178.8 | -58.4 | -103.4 | 0 | 0 | 0 | 118.9 | | |
| 23 | E | 30.3 | Very low | 39.3 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | | -171.8 | -172.5 | 99.9 | -96.9 | -153.3 | 160.1 | 0 | 0 | 114.5 | | |
| 24 | T | 34.7 | Very low | 39.7 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -131.1 | 139.9 | -149.6 | 59.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 25 | A | 34 | Very low | 40.4 | Very low | 87 Ų | 87 | 157.3 Ų | 157.3 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | | | trans | 51.3 | 129 | 138.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 26 | K | 35 | Very low | 40.9 | Very low | 219 Ų | 219 | 155.3 Ų | 155.3 | 95% | 0.952 | 82% | 0.824 | S | S | * | * | | | trans | -162.5 | 156.3 | 132.3 | -102 | 138 | -167.3 | 161 | 0 | 111.7 | | |
| 27 | S | 38.7 | Very low | 41 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -108.4 | 156.1 | -176.1 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 28 | Q | 37.5 | Very low | 40.4 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | trans | -119.4 | 164.7 | 169.8 | -74.7 | -173 | -48.6 | 0 | 0 | 111.8 | | |
| 29 | K | 40.1 | Very low | 41.6 | Very low | 207 Ų | 207 | 154 Ų | 154 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 143.4 | -167.1 | -72.7 | 177.1 | 176.4 | 172.8 | 0 | 113 | G31 | K29-G31 PolarHBondContact O-N 2.64Š|
| 30 | A | 41.3 | Very low | 42.5 | Very low | 103 Ų | 103 | 155 Ų | 155 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 127.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 31 | G | 38.3 | Very low | 41.7 | Very low | 65 Ų | 65 | 159.2 Ų | 159.2 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 150.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112 | K29 | K29-G31 PolarHBondContact O-N 2.64Š|
| 32 | K | 47.2 | Very low | 42.1 | Very low | 207 Ų | 207 | 155.3 Ų | 155.3 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | | | trans | -100.8 | 106.1 | 179.3 | -65.9 | -177.3 | -179.8 | -177.8 | 0 | 110.9 | | |
| 33 | F | 49.3 | Very low | 42.6 | Very low | 205 Ų | 205 | 154.2 Ų | 154.2 | 90% | 0.899 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 135 | 172 | -68.9 | -81.2 | 0 | 0 | 0 | 111.5 | | |
| 34 | K | 48.9 | Very low | 43.5 | Very low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 121.3 | 169.5 | -68.9 | 179 | 179.9 | 175.5 | 0 | 108.4 | T36 | K34-T36 PolarHBondContact O-N 2.72Š|
| 35 | R | 55.3 | Low | 44.4 | Very low | 255 Ų | 255 | 159.5 Ų | 159.5 | 96% | 0.962 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 119.7 | 170.5 | -71.2 | 178.3 | 174.3 | 150.1 | -3.1 | 109.7 | | |
| 36 | T | 45.4 | Very low | 44.8 | Very low | 122 Ų | 122 | 160.8 Ų | 160.8 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | | | trans | -106.7 | 120.5 | 163.9 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | K34 | K34-T36 PolarHBondContact O-N 2.72Š|
| 37 | A | 40.8 | Very low | 45.3 | Very low | 99 Ų | 99 | 157.3 Ų | 157.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -73.5 | 129.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 38 | L | 47 | Very low | 45.5 | Very low | 142 Ų | 142 | 157.2 Ų | 157.2 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | | | trans | -88.9 | 119.9 | 170.7 | -64.7 | 176.5 | 0 | 0 | 0 | 109.3 | F40 | L38-F40 PolarHBondContact O-N 2.87Š|
| 39 | T | 55.7 | Low | 45.8 | Very low | 109 Ų | 109 | 155.3 Ų | 155.3 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -88.3 | 101.4 | 176.7 | 52 | 0 | 0 | 0 | 0 | 110.5 | F41 | T39-F41 PolarHBondContact O-N 2.93Š|
| 40 | F | 48.1 | Very low | 46.4 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -71.9 | 118.9 | 170.3 | -70.8 | -85.4 | 0 | 0 | 0 | 110.1 | L38 | L38-F40 PolarHBondContact O-N 2.87Š|
| 41 | F | 43.5 | Very low | 46.3 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -108.4 | 130 | 176.5 | -84 | -85.6 | 0 | 0 | 0 | 111.2 | T39 | T39-F41 PolarHBondContact O-N 2.93Š|
| 42 | G | 40.1 | Very low | 46.5 | Very low | 60 Ų | 60 | 155.1 Ų | 155.1 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | | | trans | 106.1 | 59.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | R44 | G42-R44 PolarHBondContact O-N 3.06Å; G42-R44 VanDerWaalsContact O-N 3.14Å |
| 43 | V | 42.6 | Very low | 46.6 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | | | trans | -57.4 | 115 | 155.6 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 44 | R | 50.2 | Low | 46.4 | Very low | 237 Ų | 237 | 153.8 Ų | 153.8 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | trans | -90.9 | 104.8 | 176.9 | -60.3 | -173.1 | -167.8 | -164.3 | 5.5 | 109.3 | G42 S46 | G42-R44 PolarHBondContact O-N 3.06Å; G42-R44 VanDerWaalsContact O-N 3.14Å; R44-S46 PolarHBondContact O-N 2.85Å |
| 45 | K | 53.3 | Low | 45.7 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | | | trans | -64.2 | 124 | 167.6 | -67.9 | -175 | 175.2 | -175.4 | 0 | 109.1 | | |
| 46 | S | 42.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -63.9 | 137.5 | 164.2 | 41.4 | 0 | 0 | 0 | 0 | 109.2 | R44 | R44-S46 PolarHBondContact O-N 2.85Š|
| 47 | I | 46.9 | Very low | 44.8 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -116.6 | 110.4 | 178.7 | -56.7 | 177.4 | 0 | 0 | 0 | 107.5 | I49 | I47-I49 PolarHBondContact O-N 3.14Š|
| 48 | C | 40.9 | Very low | 44.9 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -66.2 | 114.4 | 175.4 | -57 | 0 | 0 | 0 | 0 | 109.8 | L50 | C48-L50 PolarHBondContact O-N 2.84Š|
| 49 | I | 45.7 | Very low | 44.9 | Very low | 159 Ų | 159 | 149 Ų | 149 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | -87.4 | 96.6 | 177.5 | -57.1 | 178.7 | 0 | 0 | 0 | 108.7 | I47 | I47-I49 PolarHBondContact O-N 3.14Š|
| 50 | L | 51 | Low | 44.1 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -76.6 | 137.3 | 167.3 | -67 | 175.7 | 0 | 0 | 0 | 110.2 | C48 S52 | C48-L50 PolarHBondContact O-N 2.84Å; L50-S52 PolarHBondContact O-N 3.3Å |
| 51 | P | 39.4 | Very low | 43.7 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 108.9 | 177.7 | 28.1 | -31.7 | 0 | 0 | 0 | 110.8 | F53 | P51-F53 HydrophobicContact CB-CE2 4.1Å; P51-F53 HydrophobicContact CG-CE2 4.4Å; P51-F53 WeakPolarHBondContact O-CD2 3.33Å; P51-F53 PolarHBondContact O-N 3.43Å |
| 52 | S | 43.1 | Very low | 43.4 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -74.5 | 113.9 | 177 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | L50 | L50-S52 PolarHBondContact O-N 3.3Š|
| 53 | F | 50.1 | Low | 43.8 | Very low | 169 Ų | 169 | 153 Ų | 153 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -98.4 | 150.3 | 168.4 | -75 | -92.3 | 0 | 0 | 0 | 111.1 | P51 | P51-F53 HydrophobicContact CB-CE2 4.1Å; P51-F53 HydrophobicContact CG-CE2 4.4Å; P51-F53 WeakPolarHBondContact O-CD2 3.33Å; P51-F53 PolarHBondContact O-N 3.43Å |
| 54 | F | 44 | Very low | 43.4 | Very low | 214 Ų | 214 | 157.5 Ų | 157.5 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 75.5 | 111.8 | 176.9 | -74.6 | -90.5 | 0 | 0 | 0 | 120.5 | | |
| 55 | G | 33.7 | Very low | 43.2 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | | | trans | 117.8 | 142.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 56 | G | 35.2 | Very low | 42.4 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | 160.3 | -39.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 57 | R | 46.6 | Very low | 42.8 | Very low | 240 Ų | 240 | 152.6 Ų | 152.6 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | 36.8 | 95.4 | 169 | -169.2 | -170.3 | 81.3 | 163.1 | 1.8 | 119.3 | | |
| 58 | N | 44.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | 174 | 164.6 | 136 | 64.6 | 109.6 | 0 | 0 | 0 | 110.1 | | |
| 59 | K | 47.3 | Very low | 43 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | | | cis | -154.7 | 128.5 | 11.5 | -150.1 | 169.9 | -173.5 | 170.9 | 0 | 111 | | |
| 60 | N | 38.8 | Very low | 43 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | trans | 3.5 | 134.6 | 167.2 | -46.7 | -10.7 | 0 | 0 | 0 | 121.2 | | |
| 61 | Q | 39.1 | Very low | 42.6 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | -178.4 | 161.8 | 103.4 | -94.8 | -57.2 | -3.7 | 0 | 0 | 115 | | |
| 62 | N | 37.2 | Very low | 43 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | | | trans | 75.9 | 166.9 | 164.3 | -61.1 | -30.4 | 0 | 0 | 0 | 119.5 | | |
| 63 | K | 47.9 | Very low | 43 | Very low | 195 Ų | 195 | 153.3 Ų | 153.3 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -142.5 | 135.4 | -145.6 | -51.8 | 166.3 | -174.7 | 169.6 | 0 | 114.8 | | |
| 64 | W | 33.5 | Very low | 42.8 | Very low | 238 Ų | 238 | 155.4 Ų | 155.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -158.4 | 144.7 | 138.8 | -158.6 | -100.7 | 0 | 0 | 0 | 110.4 | | |
| 65 | P | 46.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 69% | 0.688 | 81% | 0.808 | S | S | * | * | | | trans | -78.6 | 140.6 | 177.8 | 30.6 | -35.7 | 0 | 0 | 0 | 113.1 | | |
| 66 | S | 37.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -132 | 156.3 | 162.5 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 67 | K | 50.8 | Low | 44.5 | Very low | 204 Ų | 204 | 159.6 Ų | 159.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -120.6 | 83.5 | -158.9 | -175.1 | -168.9 | 173 | -172.6 | 0 | 112.3 | | |
| 68 | K | 49.3 | Very low | 44.6 | Very low | 209 Ų | 209 | 151.8 Ų | 151.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -142 | 150.2 | 157.5 | -83.3 | -178.4 | 176.6 | 178.9 | 0 | 106.9 | | |
| 69 | G | 41.2 | Very low | 44.6 | Very low | 71 Ų | 71 | 153 Ų | 153 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | cis | 128.5 | 61.9 | 14.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 70 | I | 46.4 | Very low | 43.9 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | -92.2 | 105.4 | -171.8 | -65.8 | 172.5 | 0 | 0 | 0 | 108.8 | K72 | I70-K72 HydrophobicContact CG2-CG 3.99Š|
| 71 | G | 42.1 | Very low | 43.8 | Very low | 75 Ų | 75 | 151.6 Ų | 151.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | trans | -67.9 | 138.8 | 158 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 72 | K | 49.5 | Very low | 43.5 | Very low | 183 Ų | 183 | 150 Ų | 150 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | | | trans | -121.2 | 121.6 | 169.1 | -69.1 | -169.8 | 175.7 | -173.8 | 0 | 108.4 | I70 | I70-K72 HydrophobicContact CG2-CG 3.99Š|
| 73 | S | 43 | Very low | 43.2 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -57.4 | 139.4 | 161.1 | 39.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 74 | R | 44.4 | Very low | 42.6 | Very low | 213 Ų | 213 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -146 | 75.9 | 175.2 | -164.7 | -178.3 | 90.9 | 150.6 | 4.1 | 111 | | |
| 75 | T | 52.2 | Low | 42.9 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | -72.1 | 131.5 | 160.2 | 40.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 76 | H | 50.1 | Low | 42.4 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | | | trans | -153.7 | 92.7 | 168.7 | -87.7 | -54.5 | 0 | 0 | 0 | 108.8 | | |
| 77 | D | 47.3 | Very low | 42.3 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -69.8 | 150.8 | 155.1 | -81.9 | -62.7 | 0 | 0 | 0 | 110.3 | | |
| 78 | G | 49.2 | Very low | 41.7 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -176.3 | 92.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 79 | L | 43.3 | Very low | 41 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -83.9 | 161 | -168.7 | -67.9 | 169.4 | 0 | 0 | 0 | 115 | | |
| 80 | C | 32.3 | Very low | 40.5 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 68% | 0.682 | 81% | 0.811 | S | S | * | * | | | trans | 82.1 | 111.2 | 144 | -159.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 81 | K | 37.1 | Very low | 39.8 | Very low | 192 Ų | 192 | 142 Ų | 142 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | | 179.5 | 117 | 112.3 | -92.6 | 167.6 | -175.7 | -176.2 | 0 | 108.8 | | |
| 82 | V | 32.2 | Very low | 39.5 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | | | | 66 | 101.3 | 72.1 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 83 | S | 31.9 | Very low | 38.8 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -158.3 | 133.3 | 133.5 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 84 | D | 35.5 | Very low | 38.4 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | trans | -81.6 | 160.6 | 175.6 | -56.7 | -80.7 | 0 | 0 | 0 | 112.1 | | |
| 85 | D | 39.2 | Very low | 37.9 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -152.4 | 133.6 | 141.6 | -114.4 | -33.5 | 0 | 0 | 0 | 109.4 | | |
| 86 | N | 36.4 | Very low | 36.9 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -117 | 128.1 | -166.9 | -109.5 | -48.8 | 0 | 0 | 0 | 112.2 | | |
| 87 | A | 34.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | -149.2 | 134 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 88 | L | 38 | Very low | 35.2 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -94.7 | 177.7 | -177 | -67 | 101.1 | 0 | 0 | 0 | 113.5 | | |
| 89 | R | 35.5 | Very low | 34.4 | Very low | 234 Ų | 234 | 140.1 Ų | 140.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 94.2 | 104.7 | 155.3 | -167.3 | 179.9 | -82.1 | -149.2 | -5.7 | 113.9 | | |
| 90 | S | 30.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | 70.7 | 115.8 | 64.5 | -175.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 91 | G | 31.6 | Very low | 33.8 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | 177.2 | 116.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 92 | Y | 35.6 | Very low | 33.4 | Very low | 225 Ų | 225 | 137.8 Ų | 137.8 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | -56.4 | 145.4 | -179.8 | -101.5 | -127.9 | 0 | 0 | 0 | 119 | | |
| 93 | V | 34.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | | 55.8 | 109.9 | 124.3 | -178.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 94 | S | 34.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | | 61 | 145.7 | 124.2 | -149.7 | 0 | 0 | 0 | 0 | 125.5 | | |
| 95 | S | 35 | Very low | 33.7 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | 77.2 | 136.6 | 149.6 | -55.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 96 | G | 30 | Very low | 33.5 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | | | trans | 154.9 | 75.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 97 | D | 30.7 | Very low | 33.3 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 55.3 | 131.8 | 131.8 | -70.6 | 6.2 | 0 | 0 | 0 | 126.4 | | |
| 98 | F | 31.9 | Very low | 33.1 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | 63.9 | 152.7 | 130.7 | -78.7 | -116.6 | 0 | 0 | 0 | 120.9 | | |
| 99 | E | 32.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | cis | -162.5 | 178.4 | -20 | -140.2 | -164.2 | 152.7 | 0 | 0 | 110.6 | | |
| 100 | Y | 29.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | trans | 70.7 | 105.1 | 149.5 | -105.8 | -128.6 | 0 | 0 | 0 | 123.4 | | |
| 101 | H | 33.5 | Very low | 32.8 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | | | | 91.1 | 127.5 | 112.5 | -94.2 | 43.7 | 0 | 0 | 0 | 123.4 | | |
| 102 | S | 28.6 | Very low | 32.8 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | | | trans | 80.6 | 148.2 | 137.4 | -71.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 103 | H | 32.5 | Very low | 32.4 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 68% | 0.676 | 73% | 0.725 | S | S | * | * | | | cis | -178.8 | 141.4 | -16.4 | 168.8 | -129.7 | 0 | 0 | 0 | 108.7 | | |
| 104 | R | 38.3 | Very low | 32.5 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 70% | 0.698 | 73% | 0.734 | S | S | * | * | | | trans | 66 | 161.9 | 169.7 | -74.3 | 179.5 | 174 | -101.9 | -0.9 | 116.4 | | |
| 105 | D | 33.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | cis | -165.4 | 169 | -12.2 | -104.4 | -18.8 | 0 | 0 | 0 | 105.9 | | |
| 106 | A | 35.5 | Very low | 32 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | | | cis | -162.2 | 129.3 | -19.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 107 | A | 32.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 74% | 0.743 | S | S | * | * | | | | 72.4 | 130.3 | 97.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 108 | G | 31.1 | Very low | 32 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | trans | 102.1 | 151 | 168 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 109 | D | 31 | Very low | 31.7 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | | | cis | -159.6 | 157.3 | -22.7 | -144.5 | 13.5 | 0 | 0 | 0 | 113.2 | | |
| 110 | L | 33.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 63% | 0.628 | 75% | 0.748 | S | S | * | * | | | trans | 26.4 | 144.1 | 152.3 | -71.2 | 174.4 | 0 | 0 | 0 | 125.1 | | |
| 111 | H | 33.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | 73.4 | 110.8 | 139 | -69.3 | -35.3 | 0 | 0 | 0 | 123.3 | | |
| 112 | S | 31 | Very low | 32.8 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | | 63.9 | 154 | 119 | 83.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 113 | G | 26.9 | Very low | 33.6 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | 118.7 | 127.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 114 | C | 37.2 | Very low | 33.6 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 91% | 0.905 | 76% | 0.763 | S | S | * | * | | | trans | -103.3 | 126.9 | 176.5 | -53.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 115 | Q | 31.4 | Very low | 33.5 | Very low | 198 Ų | 198 | 125.5 Ų | 125.5 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -152.7 | 156.1 | 151.9 | -74.6 | -162.7 | -18.2 | 0 | 0 | 107.6 | | |
| 116 | G | 28.4 | Very low | 33.5 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | cis | 161.2 | 164.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 117 | E | 30.4 | Very low | 33.6 | Very low | 195 Ų | 195 | 130.4 Ų | 130.4 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | | | trans | 68.6 | 148.1 | 164.5 | -69.8 | -177.1 | -158.4 | 0 | 0 | 117.7 | | |
| 118 | C | 28.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | | | cis | -156.2 | 122 | -7.5 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 119 | N | 27.6 | Very low | 34 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | 50.3 | 159.2 | 144.9 | -66.7 | -53.6 | 0 | 0 | 0 | 125.8 | | |
| 120 | H | 36.7 | Very low | 34.2 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | -84.9 | -179 | 176.9 | -57.2 | -86.6 | 0 | 0 | 0 | 113.8 | | |
| 121 | P | 44.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | | -136.8 | 163.5 | 102 | 39.3 | -30.7 | 0 | 0 | 0 | 115.9 | | |
| 122 | T | 35.8 | Very low | 34.6 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -102.1 | 168.7 | 165.6 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 123 | P | 47 | Very low | 35 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | | -156.2 | 170.7 | 83.4 | 41.9 | -21.7 | 0 | 0 | 0 | 118.2 | | |
| 124 | D | 32.9 | Very low | 35.8 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | | | trans | 62.6 | 113.7 | 141 | -81.4 | 24.4 | 0 | 0 | 0 | 126.4 | | |
| 125 | Q | 35.4 | Very low | 36.7 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 65% | 0.654 | 79% | 0.792 | S | S | * | * | | | | 86.8 | 147.5 | 125 | -71.3 | -172.9 | 35.2 | 0 | 0 | 123.5 | | |
| 126 | K | 34.3 | Very low | 37.2 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | | | trans | 80 | 103.4 | 163.8 | -67.6 | 140.3 | -171.5 | 164.1 | 0 | 117.7 | | |
| 127 | S | 36.4 | Very low | 38.1 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -77.3 | 141.5 | 159.3 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 128 | L | 34.6 | Very low | 39 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | 179.9 | 106.6 | 151.4 | -105.4 | 168.1 | 0 | 0 | 0 | 111.1 | | |
| 129 | T | 38.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 148 Ų | 148 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | -136.4 | 126.3 | 152.9 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 130 | L | 35.1 | Very low | 40.7 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | -141.4 | 111.7 | -172 | -162.9 | 174.6 | 0 | 0 | 0 | 107.8 | | |
| 131 | G | 34.9 | Very low | 41.2 | Very low | 79 Ų | 79 | 150.7 Ų | 150.7 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -157.1 | 103.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 132 | R | 39.8 | Very low | 40.8 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | | | trans | -98.8 | 159.7 | -178.6 | -74.2 | -179.3 | 165.3 | -110.8 | 7.7 | 112.4 | | |
| 133 | Q | 39.1 | Very low | 40.7 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 75.7 | 132.7 | 158.7 | -49 | -153.9 | 14.4 | 0 | 0 | 119 | | |
| 134 | R | 43.1 | Very low | 40.7 | Very low | 244 Ų | 244 | 155.4 Ų | 155.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -131.1 | 129.5 | 144.4 | -61.7 | -173.1 | 77.5 | 178.4 | 4.1 | 108.3 | | |
| 135 | K | 57.6 | Low | 41.5 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -135.7 | 124.9 | 171.3 | -89 | -175.3 | 172 | -178.1 | 0 | 108.3 | | |
| 136 | G | 40.9 | Very low | 41.7 | Very low | 70 Ų | 70 | 161.5 Ų | 161.5 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 70.1 | 159.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 137 | L | 47.7 | Very low | 42.1 | Very low | 135 Ų | 135 | 161.6 Ų | 161.6 | 71% | 0.707 | 81% | 0.807 | S | S | * | * | | | cis | -164.7 | 157.4 | 34.1 | -82.4 | 170.7 | 0 | 0 | 0 | 109.9 | | |
| 138 | R | 48.9 | Very low | 42.1 | Very low | 207 Ų | 207 | 165 Ų | 165 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | 57.5 | 107.2 | 149.8 | -63.3 | 169 | -142.2 | -69.4 | 0.5 | 116.8 | | |
| 139 | S | 41.9 | Very low | 41.9 | Very low | 104 Ų | 104 | 162.8 Ų | 162.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | 78.6 | 98.6 | 81.6 | 173.6 | 0 | 0 | 0 | 0 | 115 | | |
| 140 | L | 49.2 | Very low | 41.6 | Very low | 170 Ų | 170 | 160 Ų | 160 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -141.7 | 86.6 | 154.9 | -76.3 | -179.2 | 0 | 0 | 0 | 110.2 | | |
| 141 | F | 46.9 | Very low | 41.8 | Very low | 211 Ų | 211 | 163 Ų | 163 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | | | trans | -107 | 88.5 | 166.1 | -89.1 | -69.5 | 0 | 0 | 0 | 110 | | |
| 142 | Q | 36.7 | Very low | 41.8 | Very low | 173 Ų | 173 | 164.3 Ų | 164.3 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | trans | -149.1 | 144.7 | 163.3 | -59.9 | -170.8 | 28.7 | 0 | 0 | 105.6 | | |
| 143 | S | 34.5 | Very low | 41.6 | Very low | 76 Ų | 76 | 160 Ų | 160 | 53% | 0.531 | 76% | 0.759 | S | S | . | * | | | cis | -157.3 | 135.8 | 12.2 | 151.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 144 | F | 46.2 | Very low | 41.2 | Very low | 215 Ų | 215 | 158.6 Ų | 158.6 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | | | trans | -140.2 | 139.4 | 137.1 | -80.6 | -68.1 | 0 | 0 | 0 | 108.2 | | |
| 145 | R | 49.7 | Very low | 40.9 | Very low | 213 Ų | 213 | 154.2 Ų | 154.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -109 | 135.1 | -173.2 | -64.3 | -173.4 | -169.9 | -122.1 | 1.7 | 111.4 | | |
| 146 | H | 39.7 | Very low | 39.6 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | -44 | 148.7 | 173.1 | -48.8 | 81.9 | 0 | 0 | 0 | 115.2 | | |
| 147 | H | 42.9 | Very low | 39.2 | Very low | 188 Ų | 188 | 156.4 Ų | 156.4 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | | | trans | -92.5 | 150.7 | 141.4 | -168 | -97.7 | 0 | 0 | 0 | 109.2 | | |
| 148 | R | 36.5 | Very low | 38.4 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | | | trans | -145.6 | 128.4 | -170.5 | 174.8 | -173.5 | 175.4 | -168.6 | -1.6 | 113.3 | Q150 | R148-Q150 HydrophobicContact CG-CG 4.26Å; R148-Q150 VanDerWaalsContact NH2-NE2 3.18Å |
| 149 | S | 31 | Very low | 37.3 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -151.2 | 128.1 | 144 | -162.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 150 | Q | 31.9 | Very low | 36.5 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 44% | 0.435 | 76% | 0.762 | S | S | . | * | | | | 67.3 | 124.3 | 50.5 | -70.4 | -95.8 | -70 | 0 | 0 | 111.5 | R148 | R148-Q150 HydrophobicContact CG-CG 4.26Å; R148-Q150 VanDerWaalsContact NH2-NE2 3.18Å |
| 151 | R | 39.5 | Very low | 35.5 | Very low | 215 Ų | 215 | 149.1 Ų | 149.1 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | cis | -150.8 | 172 | 8.1 | -57.7 | -168.5 | -175.7 | 119.7 | 3.8 | 109 | | |
| 152 | N | 33.7 | Very low | 34.6 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | | | cis | -160.2 | -156.1 | -19.4 | -112.8 | 55.5 | 0 | 0 | 0 | 104.7 | D154 | N152-D154 PolarHBondContact ND2-OD2 3.02Š|
| 153 | N | 35.4 | Very low | 34.3 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | cis | -155.4 | 112.9 | 5 | -154.4 | 82.7 | 0 | 0 | 0 | 112.3 | | |
| 154 | D | 31.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | | | trans | 24.6 | 122.6 | 131.2 | -46.8 | -44.4 | 0 | 0 | 0 | 121.4 | N152 | N152-D154 PolarHBondContact ND2-OD2 3.02Š|
| 155 | T | 35.9 | Very low | 33.8 | Very low | 152 Ų | 152 | 141.7 Ų | 141.7 | 93% | 0.933 | 76% | 0.757 | S | S | * | * | | | | -158.6 | 163.5 | 126 | 4.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 156 | S | 32.2 | Very low | 32.6 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -152.9 | 144.7 | -164.6 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 157 | E | 31.8 | Very low | 32.2 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | | | trans | 175.9 | 176.7 | 149.7 | -103 | 174 | 177.2 | 0 | 0 | 110.2 | | |
| 158 | A | 30.3 | Very low | 31.9 | Very low | 72 Ų | 72 | 136.9 Ų | 136.9 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | | | | -169.9 | 114.5 | -66 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 159 | N | 25.7 | Very low | 31.5 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | 62.6 | 171.9 | 154.9 | -62.5 | -52.4 | 0 | 0 | 0 | 120.9 | | |
| 160 | A | 25.7 | Very low | 31.4 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | 65.3 | 105 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 161 | V | 27.8 | Very low | 32 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | | 70.6 | 99.6 | 63.4 | -179.5 | 0 | 0 | 0 | 0 | 114 | | |
| 162 | S | 27.4 | Very low | 31.5 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | | 175.9 | 157.7 | 116 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 163 | S | 30.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -124.9 | 147.7 | 159 | -174.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 164 | P | 42.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | | -149.4 | 155.8 | 104.5 | 38.2 | -22 | 0 | 0 | 0 | 116.5 | | |
| 165 | Q | 27.2 | Very low | 31 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | 23 | 130.4 | 133.6 | -52.2 | 172.1 | -12.8 | 0 | 0 | 120.3 | | |
| 166 | C | 25.1 | Very low | 30.7 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | | | | -163.3 | -177.3 | 100.3 | -151.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 167 | K | 32.3 | Very low | 30.5 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | -140.6 | 159.1 | -179.3 | -61.4 | 178.2 | -179.7 | 176.8 | 0 | 110.8 | | |
| 168 | K | 34.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | 67.1 | 160.9 | 168.7 | -67.6 | 159.3 | 156.4 | -98.5 | 0 | 114.2 | | |
| 169 | E | 28.1 | Very low | 30.4 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | | | cis | -147.9 | 138.3 | 1.2 | -136.7 | 117.4 | -142.5 | 0 | 0 | 106.8 | | |
| 170 | V | 30.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | | 67.2 | 140.8 | 102.2 | 158.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 171 | P | 44.8 | Very low | 30.9 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -145.3 | -157.8 | -22.2 | 42 | -20.8 | 0 | 0 | 0 | 114.5 | | |
| 172 | V | 27.9 | Very low | 31 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 114.6 | 151.9 | 169.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 173 | V | 32.8 | Very low | 31 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | | -159.5 | 134.9 | 104.7 | 151.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 174 | Q | 29.4 | Very low | 31 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | -74.5 | 133.5 | 172.9 | 163.2 | -158.4 | 62.3 | 0 | 0 | 111.9 | | |
| 175 | R | 28.6 | Very low | 30.6 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | trans | -172.1 | 160.4 | 139.6 | -103.5 | 149.9 | -163.3 | 80.6 | -3.1 | 112.6 | | |
| 176 | N | 28.1 | Very low | 30.5 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -103.1 | -171 | -170.4 | -48.7 | -12.2 | 0 | 0 | 0 | 110.9 | | |
| 177 | T | 29.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | 103.7 | 85.3 | 149.3 | -46.6 | 0 | 0 | 0 | 0 | 118 | | |
| 178 | N | 29.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | | 62.8 | 123.6 | 123.1 | -51.3 | -5 | 0 | 0 | 0 | 122.8 | | |
| 179 | R | 30.8 | Very low | 30.2 | Very low | 243 Ų | 243 | 142 Ų | 142 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | | | trans | 46.5 | 124 | 132.2 | -68.4 | -176.6 | 170.4 | -172.5 | -3.8 | 121.1 | | |
| 180 | S | 31 | Very low | 30.1 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | | | | -153.2 | 161 | 119.4 | -0.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 181 | A | 31 | Very low | 30.3 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -132.4 | -151.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 182 | T | 29.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 77.8 | 108 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 183 | E | 27.3 | Very low | 30.1 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | | 73.2 | 144 | 73.9 | -67.2 | 165.6 | 129.5 | 0 | 0 | 112.7 | | |
| 184 | F | 31.5 | Very low | 30 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | cis | -164.2 | 175.3 | 1.7 | -122.7 | -42.1 | 0 | 0 | 0 | 111.7 | | |
| 185 | L | 34 | Very low | 30.2 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | 71.4 | 153.9 | 165.6 | -63.4 | 161.4 | 0 | 0 | 0 | 116.9 | | |
| 186 | E | 24.3 | Very low | 30.6 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | cis | -159.7 | 143.8 | 37.1 | -178.6 | 175.4 | -157.2 | 0 | 0 | 113.1 | | |
| 187 | C | 26.2 | Very low | 30.8 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | 45.7 | 155.9 | 154.8 | -71.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 188 | D | 27.7 | Very low | 31.1 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | | | cis | -172 | 166.6 | -26.8 | -127 | -45.8 | 0 | 0 | 0 | 112 | | |
| 189 | H | 32.3 | Very low | 31.4 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 55.3 | 148.2 | 164.9 | -73.8 | -79.6 | 0 | 0 | 0 | 119.3 | | |
| 190 | D | 25.7 | Very low | 31.5 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | -155.5 | 169.6 | 12.6 | -122.7 | -13.7 | 0 | 0 | 0 | 111.6 | | |
| 191 | V | 34.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | trans | -115.8 | 164.8 | -179.8 | -147.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 192 | P | 40.5 | Very low | 31.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | | -139.2 | 153.7 | 103.5 | 39.2 | -28.3 | 0 | 0 | 0 | 115.4 | | |
| 193 | E | 28 | Very low | 31.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -90.9 | 154.3 | -175.8 | -178.3 | 173.8 | -162.4 | 0 | 0 | 111.7 | | |
| 194 | F | 30.8 | Very low | 32 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -128.7 | 134.5 | 169.7 | -76.6 | -80.2 | 0 | 0 | 0 | 109.7 | | |
| 195 | V | 34.5 | Very low | 32.1 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | | | trans | -95.5 | 170.4 | -163.7 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 196 | E | 37.8 | Very low | 31.9 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -51.7 | 153.8 | -170.1 | -61.6 | 82 | -148.2 | 0 | 0 | 116.3 | | |
| 197 | D | 30.5 | Very low | 32.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | -139.2 | 110.8 | 143.4 | -168 | 7.4 | 0 | 0 | 0 | 108.9 | | |
| 198 | L | 36.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -131.4 | 99.3 | 178.8 | -165.1 | 80.5 | 0 | 0 | 0 | 108.5 | D200 | L198-D200 PolarHBondContact O-N 3.25Å; L198-D200 VanDerWaalsContact O-N 3.11Å |
| 199 | C | 35.4 | Very low | 32.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | trans | -78.7 | 93.1 | -171.3 | -71 | 0 | 0 | 0 | 0 | 113.2 | I201 | C199-I201 PolarHBondContact O-N 2.95Š|
| 200 | D | 32.3 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | | | trans | -68 | 117.5 | 161.8 | -93.8 | -36.2 | 0 | 0 | 0 | 110.8 | L198 S202 | L198-D200 PolarHBondContact O-N 3.25Å; L198-D200 VanDerWaalsContact O-N 3.11Å; D200-S202 PolarHBondContact O-N 3.36Å |
| 201 | I | 33.7 | Very low | 33 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | trans | -94.1 | 81.6 | 178.2 | -56.9 | -179.7 | 0 | 0 | 0 | 109.6 | C199 I203 | C199-I201 PolarHBondContact O-N 2.95Å; I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.84Å |
| 202 | S | 31.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -89.3 | 105.2 | 163.9 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | D200 | D200-S202 PolarHBondContact O-N 3.36Š|
| 203 | I | 33.9 | Very low | 32.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | trans | -105.6 | 94.1 | 171.9 | -60.6 | 174.4 | 0 | 0 | 0 | 108.9 | I201 | I201-I203 HydrophobicContact CG2-CD1 3.82Å; I201-I203 HydrophobicContact CG2-CG1 3.84Å |
| 204 | G | 29.6 | Very low | 32.5 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 129 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 205 | L | 34.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -106.4 | 78.7 | 179.5 | -163.9 | 77.8 | 0 | 0 | 0 | 111.3 | C207 | L205-C207 PolarHBondContact O-N 2.74Š|
| 206 | E | 30.1 | Very low | 32.2 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -87.1 | 100.7 | 173.4 | -171.3 | 173.9 | -147.8 | 0 | 0 | 110.3 | | |
| 207 | C | 30.2 | Very low | 31.8 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | | | trans | -96.9 | 114.9 | 179 | -82.9 | 0 | 0 | 0 | 0 | 111.7 | L205 | L205-C207 PolarHBondContact O-N 2.74Š|
| 208 | S | 31.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 136.6 | -175.7 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 209 | R | 29.3 | Very low | 31.2 | Very low | 244 Ų | 244 | 138.1 Ų | 138.1 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89 | 134.8 | 173.3 | -174.9 | 177.8 | -174.6 | 166 | 2.6 | 111.1 | | |
| 210 | A | 36.7 | Very low | 30.8 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 155.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 211 | D | 31.1 | Very low | 30.7 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143.3 | -166.9 | -77.6 | -68.3 | 0 | 0 | 0 | 116.8 | | |
| 212 | A | 32.5 | Very low | 30.3 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -138.4 | 134.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 213 | K | 31.4 | Very low | 30.2 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | -101.7 | 163.7 | -162.2 | -70.5 | -170.2 | 176.6 | -173.1 | 0 | 115.3 | | |
| 214 | A | 27.9 | Very low | 30.1 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | trans | 88.8 | 141.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 215 | K | 28.1 | Very low | 30 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | cis | -148.5 | 159.9 | 3.5 | -149.6 | -178.7 | 174.8 | -172.6 | 0 | 113.2 | | |
| 216 | E | 30.1 | Very low | 29.7 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -53.1 | 163.8 | 167 | -63.3 | 150.9 | 135.5 | 0 | 0 | 112.8 | | |
| 217 | S | 30 | Very low | 29.5 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | cis | -153.9 | 154.9 | 35.7 | 56.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 218 | S | 26.9 | Very low | 29.8 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -80.4 | 159.4 | 169 | 53 | 0 | 0 | 0 | 0 | 114.3 | | |
| 219 | M | 27.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 80% | 0.803 | 80% | 0.8 | S | S | * | * | | | | 164.1 | 111.8 | 128.8 | -88.3 | -176.6 | 85.1 | 0 | 0 | 107.6 | | |
| 220 | E | 26.8 | Very low | 29.3 | Very low | 130 Ų | 130 | 144 Ų | 144 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | | | | 81.9 | 121.1 | 76 | -85.5 | -140.4 | 124.7 | 0 | 0 | 115.5 | | |
| 221 | K | 30.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | | | trans | 88.2 | 147.2 | 140.3 | -73.8 | 168.8 | 176.2 | 140.6 | 0 | 122.6 | | |
| 222 | E | 24.7 | Very low | 28.6 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | 67.3 | 133.6 | 160.1 | -78.7 | -178.2 | 103.8 | 0 | 0 | 122 | | |
| 223 | C | 29.8 | Very low | 28.4 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -136.7 | 114 | 168.3 | 174.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 224 | P | 32.4 | Very low | 28.4 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -94.9 | 154.4 | 172.2 | 35.2 | -31.5 | 0 | 0 | 0 | 112.2 | | |
| 225 | K | 26.5 | Very low | 28.7 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | | | trans | -116.4 | 122.1 | -169.4 | -179 | -178 | -175 | 176.4 | 0 | 111 | | |
| 226 | S | 28.5 | Very low | 28.9 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -164.3 | 123 | 170.7 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 227 | E | 26.7 | Very low | 29.1 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -81.1 | 157.6 | 143.8 | -57.6 | -179.2 | 101.1 | 0 | 0 | 108.4 | | |
| 228 | P | 36.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | | -155.8 | 150.4 | 89.1 | 39.4 | -20.1 | 0 | 0 | 0 | 118.3 | | |
| 229 | Q | 25.3 | Very low | 29.5 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | 53.1 | 144.3 | 135.5 | -70.2 | -167.6 | -23.2 | 0 | 0 | 125.9 | | |
| 230 | L | 24.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | 76.9 | 95.5 | 144.6 | -97.5 | 79 | 0 | 0 | 0 | 123 | | |
| 231 | S | 27.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 151.3 Ų | 151.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | | 50.7 | 150.5 | 111.6 | 70.8 | 0 | 0 | 0 | 0 | 125.6 | | |
| 232 | E | 25.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | 76.5 | 137 | 171.9 | -51.1 | -158.5 | 111.6 | 0 | 0 | 113.9 | | |
| 233 | D | 28.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | cis | -145.3 | 178.6 | 48 | -168.9 | 27.4 | 0 | 0 | 0 | 113.8 | | |
| 234 | K | 31.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 145 Ų | 145 | 54% | 0.543 | 78% | 0.776 | S | S | . | * | | | trans | -124.7 | 172.8 | -141.5 | -69.5 | -160.8 | 176.2 | -174.6 | 0 | 116.1 | | |
| 235 | H | 33.5 | Very low | 30.8 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | 73.5 | 127 | 148.9 | -73.5 | -56.8 | 0 | 0 | 0 | 120.3 | | |
| 236 | K | 32.3 | Very low | 30.9 | Very low | 186 Ų | 186 | 138.7 Ų | 138.7 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | | | | 147.5 | 146 | 129.7 | -80.1 | -172.1 | 179.7 | 173.6 | 0 | 110.3 | | |
| 237 | D | 34.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 136 Ų | 136 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | | | cis | -167.5 | 159.9 | -18.3 | -110.3 | -21.6 | 0 | 0 | 0 | 109.6 | | |
| 238 | S | 35.8 | Very low | 31.4 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | 96.2 | 135.5 | 148.5 | 83.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 239 | N | 29.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | 72.4 | 81.6 | 149.9 | -84.3 | -55.4 | 0 | 0 | 0 | 124.5 | | |
| 240 | L | 32.1 | Very low | 31.3 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | | 35.6 | 132.6 | 110.5 | -54.8 | 175.2 | 0 | 0 | 0 | 121 | | |
| 241 | K | 30.3 | Very low | 31.4 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | | 175.3 | 140.6 | 96.5 | -169.2 | 171.7 | -175.3 | -178.9 | 0 | 114.8 | | |
| 242 | A | 30.1 | Very low | 31.5 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 125.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 243 | V | 34.2 | Very low | 31.8 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | cis | 66.9 | 133.5 | 27.9 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 244 | P | 41.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | cis | -118.2 | -170.4 | 10.3 | 14.6 | 11.9 | 0 | 0 | 0 | 112.7 | | |
| 245 | S | 31.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | cis | 160.3 | 135.4 | -19.5 | -178.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 246 | G | 29.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | | | trans | 150.1 | 131.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 247 | G | 30.6 | Very low | 31.8 | Very low | 55 Ų | 55 | 133.2 Ų | 133.2 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | | | trans | -125.6 | -146.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 248 | Y | 34.2 | Very low | 32.1 | Very low | 218 Ų | 218 | 133.4 Ų | 133.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | 64.8 | 98.5 | 176.4 | 48.5 | -99.6 | 0 | 0 | 0 | 118.8 | | |
| 249 | D | 29.9 | Very low | 31.9 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | 65.1 | 122.3 | 112.4 | -84.9 | 30.5 | 0 | 0 | 0 | 123.3 | | |
| 250 | N | 29.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | 77 | 116.1 | 125.3 | -78.6 | -43.8 | 0 | 0 | 0 | 122.4 | | |
| 251 | S | 27.2 | Very low | 32.1 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | 85.3 | 100.7 | 116.5 | -158.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 252 | S | 30.5 | Very low | 32.5 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | | 86 | 145.8 | 114.3 | -161.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 253 | R | 31 | Very low | 32.3 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | 79 | 133.3 | 150.4 | -89.1 | 164.8 | -175.3 | -158.5 | 0.6 | 121.2 | | |
| 254 | R | 29 | Very low | 32 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | | | trans | 76 | 149.1 | 144.2 | -71.3 | 174.5 | 177.4 | 160.9 | -5.3 | 117.5 | | |
| 255 | S | 29.3 | Very low | 31.6 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | cis | -169 | 172.3 | -17.4 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 256 | S | 31.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | 65.5 | 118.5 | 142.1 | 53.7 | 0 | 0 | 0 | 0 | 119 | | |
| 257 | E | 37.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -59 | 168 | 160.2 | -51 | 139.1 | 139.6 | 0 | 0 | 111.8 | | |
| 258 | P | 41.6 | Very low | 32.1 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | | -123.4 | 162.1 | 128.3 | 36.3 | -31.4 | 0 | 0 | 0 | 112.6 | | |
| 259 | C | 30.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 142 Ų | 142 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | | | trans | -115.5 | 172.8 | -167.4 | -172.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 260 | L | 36 | Very low | 32.7 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 77.5 | 151.3 | 176.2 | -43.1 | 175.7 | 0 | 0 | 0 | 113.9 | | |
| 261 | K | 30.3 | Very low | 32.7 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | cis | -152.8 | 164.4 | 14.6 | -153.6 | 164.4 | -178.8 | 174.9 | 0 | 112.8 | | |
| 262 | L | 37.7 | Very low | 33.4 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -52.6 | 144.2 | 176.1 | -61.8 | 156.3 | 0 | 0 | 0 | 115 | | |
| 263 | Q | 25.9 | Very low | 34 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -166.9 | 170.8 | 124 | -112.3 | 172.1 | -1.6 | 0 | 0 | 114 | | |
| 264 | T | 29.1 | Very low | 35 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -111.9 | 149.2 | -165.7 | 46.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 265 | A | 33.8 | Very low | 36.2 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 66 | 125.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 266 | S | 30.4 | Very low | 37.3 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -161.3 | 149.5 | 155.6 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 267 | E | 32.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -90 | 170.5 | -168.1 | -67.8 | 166.7 | 103.8 | 0 | 0 | 115.8 | | |
| 268 | T | 37.7 | Very low | 39.3 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -37.6 | 160.2 | 168.1 | 27 | 0 | 0 | 0 | 0 | 117.2 | | |
| 269 | P | 42.2 | Very low | 40.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | cis | -153.3 | 168.7 | 49.6 | 42.6 | -21.5 | 0 | 0 | 0 | 121.7 | | |
| 270 | A | 34.3 | Very low | 41.3 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 68.9 | 116.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 271 | G | 30.3 | Very low | 42.2 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | 167.3 | 94.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 272 | S | 40.4 | Very low | 43.3 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -53 | 139.7 | -171.6 | 54 | 0 | 0 | 0 | 0 | 115.6 | D274 | S272-D274 WeakPolarHBondContact CA-OD2 3.05Å; S272-D274 WeakPolarHBondContact CB-OD2 3.3Å |
| 273 | S | 43.3 | Very low | 43.8 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -143.9 | 30.6 | 172.5 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | Q275 | S273-Q275 PolarHBondContact O-N 2.84Š|
| 274 | D | 52.7 | Low | 45.2 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 11 | -154.5 | -46.6 | -64.9 | 0 | 0 | 0 | 115.1 | S272 | S272-D274 WeakPolarHBondContact CA-OD2 3.05Å; S272-D274 WeakPolarHBondContact CB-OD2 3.3Å |
| 275 | Q | 53.8 | Low | 46.3 | Very low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 6 | -170.4 | -147 | 170.1 | 41.8 | 0 | 0 | 115.3 | S273 | S273-Q275 PolarHBondContact O-N 2.84Š|
| 276 | L | 52.1 | Low | 47.2 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -126.2 | -8.5 | 177.3 | -68.9 | 176 | 0 | 0 | 0 | 115.1 | | |
| 277 | N | 54.2 | Low | 48 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -90.8 | -8.4 | 178.4 | -73.4 | -21.9 | 0 | 0 | 0 | 114 | I279 G281 | N277-I279 VanDerWaalsContact C-N 3.31Å; N277-I279 PolarHBondContact O-N 3.11Å; N277-G281 PolarHBondContact O-N 3.39Å |
| 278 | L | 57.1 | Low | 49.1 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -3.2 | -170.4 | -163.4 | 58.5 | 0 | 0 | 0 | 114.8 | | |
| 279 | I | 57.8 | Low | 49.7 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -12.1 | -177.6 | -63.3 | 177.4 | 0 | 0 | 0 | 112.6 | N277 | N277-I279 VanDerWaalsContact C-N 3.31Å; N277-I279 PolarHBondContact O-N 3.11Å |
| 280 | F | 55.6 | Low | 50.1 | Low | 189 Ų | 189 | 135.3 Ų | 135.3 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 13.7 | 176.9 | -67.1 | -74.2 | 0 | 0 | 0 | 113.6 | | |
| 281 | G | 55.5 | Low | 51 | Low | 42 Ų | 42 | 134.5 Ų | 134.5 | 43% | 0.433 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -86.1 | -24.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N277 V283 | N277-G281 PolarHBondContact O-N 3.39Å; G281-V283 PolarHBondContact O-N 3.13Å |
| 282 | E | 52.8 | Low | 52.2 | Low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 60.2 | -167.7 | -63.3 | -165.6 | 139.3 | 0 | 0 | 113.9 | | |
| 283 | V | 49 | Very low | 53 | Low | 137 Ų | 137 | 139 Ų | 139 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | -1.4 | 166.9 | -131.2 | 0 | 0 | 0 | 0 | 114.7 | G281 | G281-V283 PolarHBondContact O-N 3.13Š|
| 284 | S | 53.7 | Low | 53.7 | Low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -95.8 | 1.8 | -174 | 54 | 0 | 0 | 0 | 0 | 115 | | |
| 285 | S | 52.8 | Low | 53.8 | Low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -135.4 | 37.7 | -169.8 | -168.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 286 | L | 52.3 | Low | 53.6 | Low | 164 Ų | 164 | 133.1 Ų | 133.1 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -130 | 71.1 | 163.7 | -76.7 | 179.3 | 0 | 0 | 0 | 111.7 | | |
| 287 | K | 49.1 | Very low | 53.4 | Low | 214 Ų | 214 | 132.2 Ų | 132.2 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | | | trans | -132.4 | 45.3 | 157.6 | -158.2 | 165.4 | -176.5 | 172.4 | 0 | 111.8 | | |
| 288 | S | 53.5 | Low | 53.6 | Low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | -110.7 | 61.2 | 170.9 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 289 | F | 50.6 | Low | 53.4 | Low | 190 Ų | 190 | 133 Ų | 133 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | | | trans | -131.9 | 94 | 160 | -104.7 | -79.3 | 0 | 0 | 0 | 108.3 | S291 | F289-S291 PolarHBondContact O-N 3.13Š|
| 290 | D | 51.6 | Low | 53.1 | Low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -72.4 | 82.4 | 161.4 | 179.8 | 16.1 | 0 | 0 | 0 | 107.5 | L292 | D290-L292 PolarHBondContact O-N 3.22Š|
| 291 | S | 52.1 | Low | 52.8 | Low | 88 Ų | 88 | 127.7 Ų | 127.7 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | trans | -77.7 | 73.8 | 175.9 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | F289 T293 | F289-S291 PolarHBondContact O-N 3.13Å; S291-T293 PolarHBondContact O-N 2.89Å |
| 292 | L | 56.3 | Low | 52.7 | Low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | -58.5 | 79.3 | 165.7 | 179.3 | 69.4 | 0 | 0 | 0 | 109.7 | D290 | D290-L292 PolarHBondContact O-N 3.22Š|
| 293 | T | 57.9 | Low | 52.7 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -155.8 | 104.9 | -179.8 | -34.2 | 0 | 0 | 0 | 0 | 112.8 | S291 | S291-T293 PolarHBondContact O-N 2.89Š|
| 294 | G | 58.1 | Low | 52.9 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 82 | 38.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 295 | C | 53.6 | Low | 52.6 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | trans | -118.8 | 94.9 | 147.1 | -77.3 | 0 | 0 | 0 | 0 | 107.7 | D297 | C295-D297 PolarHBondContact O-N 3.42Š|
| 296 | G | 49.5 | Very low | 52.4 | Low | 72 Ų | 72 | 137.4 Ų | 137.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -73.1 | 106.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | I298 | G296-I298 PolarHBondContact O-N 3.31Å; G296-I298 VanDerWaalsContact O-N 3.16Å |
| 297 | D | 48.3 | Very low | 52.1 | Low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -70.2 | 105.2 | 171.2 | -155.7 | 6.9 | 0 | 0 | 0 | 107.2 | C295 I299 | C295-D297 PolarHBondContact O-N 3.42Å; D297-I299 HydrophobicContact CB-CG1 4.44Å; D297-I299 PolarHBondContact O-N 3.31Å |
| 298 | I | 57.6 | Low | 51.7 | Low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | | | trans | -80.3 | 68.4 | -178.8 | -50.1 | -179.1 | 0 | 0 | 0 | 108.2 | G296 A300 | G296-I298 PolarHBondContact O-N 3.31Å; G296-I298 VanDerWaalsContact O-N 3.16Å; I298-A300 PolarHBondContact O-N 3.41Å; I298-A300 VanDerWaalsContact O-N 3.15Å |
| 299 | I | 53.1 | Low | 51.2 | Low | 124 Ų | 124 | 138.1 Ų | 138.1 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -66.6 | 105.2 | 159 | -50.1 | 175.8 | 0 | 0 | 0 | 104.9 | D297 D301 | D297-I299 HydrophobicContact CB-CG1 4.44Å; D297-I299 PolarHBondContact O-N 3.31Å; I299-D301 PolarHBondContact O-N 3.39Å |
| 300 | A | 51.3 | Low | 50.8 | Low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | | | trans | -68.9 | 117.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | I298 Q302 | I298-A300 PolarHBondContact O-N 3.41Å; I298-A300 VanDerWaalsContact O-N 3.15Å; A300-Q302 PolarHBondContact O-N 3.03Å |
| 301 | D | 51 | Low | 50.3 | Low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -57.6 | 119.6 | -177.2 | -69.2 | -56.3 | 0 | 0 | 0 | 111.1 | I299 E303 | I299-D301 PolarHBondContact O-N 3.39Å; D301-E303 VanDerWaalsContact C-N 3.26Å; D301-E303 HydrophobicContact CB-CG 4.17Å; D301-E303 PolarHBondContact O-N 2.92Å |
| 302 | Q | 52.9 | Low | 49.5 | Very low | 204 Ų | 204 | 135.8 Ų | 135.8 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | trans | -90.5 | 60.5 | 176 | -170.1 | 176.7 | 93.3 | 0 | 0 | 109.9 | A300 | A300-Q302 PolarHBondContact O-N 3.03Š|
| 303 | E | 52.6 | Low | 48.6 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -141.8 | 80.1 | 176 | 52.5 | 167.3 | -136.7 | 0 | 0 | 113.6 | D301 | D301-E303 VanDerWaalsContact C-N 3.26Å; D301-E303 HydrophobicContact CB-CG 4.17Å; D301-E303 PolarHBondContact O-N 2.92Å |
| 304 | D | 52.7 | Low | 47.6 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -161.8 | 74.6 | 142.7 | -129.5 | -14.9 | 0 | 0 | 0 | 113.6 | | |
| 305 | D | 47.9 | Very low | 46.3 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | -136.6 | 59.2 | 174.9 | -118.2 | -31.8 | 0 | 0 | 0 | 111 | | |
| 306 | S | 49.2 | Very low | 45.6 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -143.8 | 22.7 | -177.8 | 70.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 307 | I | 45.1 | Very low | 44.9 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -120.9 | 57 | 173.4 | 59.3 | 158.4 | 0 | 0 | 0 | 115 | E309 | I307-E309 VanDerWaalsContact C-N 3.27Å; I307-E309 PolarHBondContact O-N 3.47Å |
| 308 | T | 40.9 | Very low | 45.2 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | | | trans | -77.8 | 70.4 | 165.1 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 309 | E | 43.3 | Very low | 44.2 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -112.4 | 124 | 170.3 | -177.7 | 161.6 | -161 | 0 | 0 | 113.9 | I307 | I307-E309 VanDerWaalsContact C-N 3.27Å; I307-E309 PolarHBondContact O-N 3.47Å |
| 310 | S | 42.5 | Very low | 44 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | 64.5 | 111.6 | 154.3 | -157.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 311 | T | 40.5 | Very low | 43.1 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -73.2 | 128.7 | 164.6 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 312 | V | 35.4 | Very low | 43.6 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | trans | -155.7 | 127.5 | 145.7 | 118.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 313 | S | 37.3 | Very low | 43.6 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | 6.4 | 128.3 | 153.8 | -154.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 314 | G | 36.1 | Very low | 43.1 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -168.5 | 39.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 315 | E | 30.7 | Very low | 42.7 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | 19.1 | 110.3 | 160.6 | -177.1 | 163 | -173.6 | 0 | 0 | 121.2 | | |
| 316 | R | 39.4 | Very low | 42.3 | Very low | 216 Ų | 216 | 138.1 Ų | 138.1 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | trans | 60.5 | 115.7 | 132.9 | 179.5 | -161.8 | -172.6 | 166.9 | 0.7 | 121 | | |
| 317 | S | 35.3 | Very low | 42 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | | -154.4 | 171.1 | 122.7 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 318 | R | 53.8 | Low | 42.3 | Very low | 232 Ų | 232 | 144.2 Ų | 144.2 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -138 | 124 | 179.5 | -77.3 | 176.9 | 167.9 | 175.4 | -4.5 | 111.4 | | |
| 319 | N | 37.2 | Very low | 42.6 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | 176.7 | 173 | 135.2 | 47.6 | 23.6 | 0 | 0 | 0 | 110.5 | | |
| 320 | G | 47.9 | Very low | 43 | Very low | 80 Ų | 80 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -152.9 | 149.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 321 | G | 34.2 | Very low | 43.8 | Very low | 49 Ų | 49 | 148.4 Ų | 148.4 | 51% | 0.505 | 81% | 0.808 | S | S | . | * | | | trans | -129 | 26.9 | -149.3 | 0 | 0 | 0 | 0 | 0 | 120 | R323 Y423 | G321-R323 PolarHBondContact O-N 2.92Å; G321-Y423 WeakPolarHBondContact O-CD2 3.4Å; G321-Y423 WeakPolarHBondContact O-CE2 3.45Å |
| 322 | K | 61.6 | Low | 44.6 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | 82.1 | -97.7 | 149.5 | -53.5 | -153.6 | 176.7 | -176.6 | 0 | 119.4 | | |
| 323 | R | 52.3 | Low | 45.6 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | | | trans | -148.9 | 123.1 | -141 | -49.4 | 177.2 | -66.7 | -163.2 | 2.9 | 119.9 | G321 Y423 | G321-R323 PolarHBondContact O-N 2.92Å; R323-Y423 VanDerWaalsContact CB-OH 3.29Å; R323-Y423 WeakPolarHBondContact CB-OH 3.09Å; R323-Y423 WeakPolarHBondContact CG-OH 3.49Å; R323-Y423 PolarHBondContact N-OH 2.86Å; R323-Y423 PolarHBondContact NE-OH 2.87Å |
| 324 | A | 42.8 | Very low | 46.5 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | | 67.7 | 135.2 | 115.3 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 325 | S | 42.7 | Very low | 47.6 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | 62.1 | 105.4 | 151.3 | 62.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 326 | C | 41 | Very low | 49.3 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -97.1 | 140.8 | 154 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 327 | Y | 41.3 | Very low | 50 | Low | 235 Ų | 235 | 144 Ų | 144 | 92% | 0.922 | 80% | 0.798 | S | S | * | * | | | trans | -87.9 | 117.4 | 170.3 | -116.7 | -90.6 | 0 | 0 | 0 | 108.6 | T329 | Y327-T329 PolarHBondContact O-N 3.35Š|
| 328 | L | 53.1 | Low | 50.7 | Low | 151 Ų | 151 | 142.9 Ų | 142.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -81.5 | 113.6 | -177.7 | -174.8 | 65.1 | 0 | 0 | 0 | 111.3 | Y330 | L328-Y330 PolarHBondContact O-N 2.67Å; L328-Y330 VanDerWaalsContact O-N 3.17Å |
| 329 | T | 46.4 | Very low | 50.3 | Low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -82.6 | 85.4 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | Y327 Q331 | Y327-T329 PolarHBondContact O-N 3.35Å; T329-Q331 PolarHBondContact O-N 2.57Å |
| 330 | Y | 51.1 | Low | 51.2 | Low | 196 Ų | 196 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 113.6 | 173.6 | 178.3 | -106.8 | 0 | 0 | 0 | 110.9 | L328 G332 | L328-Y330 PolarHBondContact O-N 2.67Å; L328-Y330 VanDerWaalsContact O-N 3.17Å; Y330-G332 VanDerWaalsContact CE1-CA 3.45Å |
| 331 | Q | 59.3 | Low | 51.4 | Low | 192 Ų | 192 | 138.4 Ų | 138.4 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | | | trans | -105.4 | 70.9 | 167.8 | -172.3 | 176.9 | -19 | 0 | 0 | 108.9 | T329 G333 | T329-Q331 PolarHBondContact O-N 2.57Å; Q331-G333 PolarHBondContact O-N 2.76Å |
| 332 | G | 57.3 | Low | 52.2 | Low | 38 Ų | 38 | 143.5 Ų | 143.5 | 39% | 0.392 | 80% | 0.796 | S | S | . | * | | | trans | -61.7 | 124.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y330 | Y330-G332 VanDerWaalsContact CE1-CA 3.45Š|
| 333 | G | 57.1 | Low | 51.7 | Low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -73.9 | 134.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q331 E335 | Q331-G333 PolarHBondContact O-N 2.76Å; G333-E335 PolarHBondContact O-N 3.44Å |
| 334 | G | 56.1 | Low | 51.9 | Low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -81 | 102.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 335 | E | 59.9 | Low | 52.5 | Low | 185 Ų | 185 | 136.4 Ų | 136.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 141 | 157.8 | 61.1 | -163.1 | 166.6 | 0 | 0 | 108.9 | G333 | G333-E335 PolarHBondContact O-N 3.44Š|
| 336 | E | 66.3 | Low | 53.1 | Low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85 | 132.1 | -172.5 | 58.4 | -147.7 | 149.2 | 0 | 0 | 110.9 | A338 | E336-A338 PolarHBondContact O-N 3.48Š|
| 337 | M | 53.4 | Low | 53.6 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.5 | -179.8 | -64 | -64.5 | -67.7 | 0 | 0 | 109.3 | S339 | M337-S339 PolarHBondContact O-N 3.45Š|
| 338 | A | 50.3 | Low | 54.2 | Low | 96 Ų | 96 | 129.1 Ų | 129.1 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E336 | E336-A338 PolarHBondContact O-N 3.48Š|
| 339 | S | 46.1 | Very low | 54.3 | Low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 138.8 | 171 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | M337 E341 | M337-S339 PolarHBondContact O-N 3.45Å; S339-E341 PolarHBondContact O-N 3.39Å; S339-E341 VanDerWaalsContact O-N 3.08Å |
| 340 | P | 55.8 | Low | 54.5 | Low | 133 Ų | 133 | 128.8 Ų | 128.8 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | | | trans | -70.6 | 101.8 | 169.7 | -15.9 | 30.9 | 0 | 0 | 0 | 109.4 | | |
| 341 | E | 50.6 | Low | 54.3 | Low | 159 Ų | 159 | 127.6 Ų | 127.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -72.9 | 131.5 | 177.5 | -141.7 | 83.8 | 155.6 | 0 | 0 | 110.6 | S339 L343 | S339-E341 PolarHBondContact O-N 3.39Å; S339-E341 VanDerWaalsContact O-N 3.08Å; E341-L343 PolarHBondContact O-N 2.9Å |
| 342 | D | 52.5 | Low | 53.9 | Low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | | | trans | 27.5 | 83.9 | 161.8 | -62.4 | -14.6 | 0 | 0 | 0 | 118.5 | | |
| 343 | L | 50.2 | Low | 53.5 | Low | 156 Ų | 156 | 129.7 Ų | 129.7 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | | | trans | -81.4 | 113.2 | 157.8 | -173.9 | 68.5 | 0 | 0 | 0 | 109.7 | E341 | E341-L343 PolarHBondContact O-N 2.9Š|
| 344 | D | 56.3 | Low | 52.6 | Low | 110 Ų | 110 | 131.1 Ų | 131.1 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | | | trans | -59.5 | 136.1 | -179.1 | -179.4 | 33.2 | 0 | 0 | 0 | 112.6 | T346 | D344-T346 PolarHBondContact O-N 3.46Å; D344-T346 WeakPolarHBondContact OD2-CB 3.26Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.39Å; D344-T346 PolarHBondContact OD2-OG1 3.17Å |
| 345 | G | 55.7 | Low | 51.8 | Low | 61 Ų | 61 | 134.9 Ų | 134.9 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 0.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 346 | T | 55.9 | Low | 50.7 | Low | 89 Ų | 89 | 133 Ų | 133 | 55% | 0.546 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -32.7 | -176.8 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | D344 L348 Q349 | D344-T346 PolarHBondContact O-N 3.46Å; D344-T346 WeakPolarHBondContact OD2-CB 3.26Å; D344-T346 WeakPolarHBondContact OD2-CG2 3.39Å; D344-T346 PolarHBondContact OD2-OG1 3.17Å; T346-L348 VanDerWaalsContact C-N 3.34Å; T346-L348 PolarHBondContact O-N 2.87Å; T346-Q349 PolarHBondContact O-N 3.48Å |
| 347 | C | 51.8 | Low | 49.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -24.8 | -171.9 | -174.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 348 | L | 53.1 | Low | 48.8 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -7.6 | -179.6 | -80.3 | 169.7 | 0 | 0 | 0 | 114.5 | T346 | T346-L348 VanDerWaalsContact C-N 3.34Å; T346-L348 PolarHBondContact O-N 2.87Å |
| 349 | Q | 55 | Low | 48.1 | Very low | 135 Ų | 135 | 131 Ų | 131 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -38 | -177.8 | -163.8 | 71.1 | 38.2 | 0 | 0 | 112.1 | T346 G353 | T346-Q349 PolarHBondContact O-N 3.48Å; Q349-G353 WeakPolarHBondContact O-CA 3.38Å; Q349-G353 PolarHBondContact O-N 2.67Å; Q349-G353 VanDerWaalsContact O-N 3.11Å |
| 350 | D | 51 | Low | 47.3 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -24.3 | -170.5 | -68.7 | -20.6 | 0 | 0 | 0 | 114 | W352 | D350-W352 VanDerWaalsContact C-N 3.34Å; D350-W352 PolarHBondContact O-N 2.76Å |
| 351 | F | 46.8 | Very low | 46.1 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -19.9 | -177.6 | -161.4 | -95.1 | 0 | 0 | 0 | 113.7 | | |
| 352 | W | 51.3 | Low | 45.1 | Very low | 218 Ų | 218 | 134.3 Ų | 134.3 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | -2.4 | 178.6 | -69.4 | 95.9 | 0 | 0 | 0 | 113.8 | D350 S354 | D350-W352 VanDerWaalsContact C-N 3.34Å; D350-W352 PolarHBondContact O-N 2.76Å; W352-S354 PolarHBondContact O-N 3.29Å |
| 353 | G | 47.4 | Very low | 43.9 | Very low | 55 Ų | 55 | 131.7 Ų | 131.7 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | | | trans | -73.8 | 10.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q349 | Q349-G353 WeakPolarHBondContact O-CA 3.38Å; Q349-G353 PolarHBondContact O-N 2.67Å; Q349-G353 VanDerWaalsContact O-N 3.11Å |
| 354 | S | 40 | Very low | 42.7 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | trans | -139.3 | 86.1 | -174 | -73.7 | 0 | 0 | 0 | 0 | 113.1 | W352 | W352-S354 PolarHBondContact O-N 3.29Š|
| 355 | N | 38.3 | Very low | 41.2 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | | | trans | -174.9 | 59.7 | 153.2 | -100.1 | -28.4 | 0 | 0 | 0 | 115 | | |
| 356 | T | 37.1 | Very low | 40.8 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | trans | -141 | 112.2 | 160.2 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 357 | S | 37.6 | Very low | 39.6 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -25.8 | 144.3 | 176.2 | -159.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 358 | E | 42.9 | Very low | 38.8 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -60.1 | 134.3 | 149.9 | -54.4 | 176.7 | 114.9 | 0 | 0 | 110.5 | | |
| 359 | V | 34.7 | Very low | 37.9 | Very low | 124 Ų | 124 | 137 Ų | 137 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -150.1 | 105.8 | 150.9 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 360 | V | 30.2 | Very low | 36.8 | Very low | 120 Ų | 120 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | 35.3 | 106.8 | 142.4 | -168.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 361 | C | 30.7 | Very low | 36 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | | | trans | 17.3 | 141.5 | 134.6 | -49.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 362 | Y | 28.6 | Very low | 35.3 | Very low | 225 Ų | 225 | 138.3 Ų | 138.3 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | | -166.4 | 124.5 | 111.8 | -110.4 | -71.9 | 0 | 0 | 0 | 115.1 | | |
| 363 | S | 26.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | 6.6 | 124.9 | 156.2 | -172.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 364 | C | 25 | Very low | 33.5 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | | -174.6 | 137 | 93.8 | -129.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 365 | D | 25.5 | Very low | 33.2 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -107.5 | 179.3 | 168.9 | -129.5 | -17.3 | 0 | 0 | 0 | 108.5 | | |
| 366 | P | 48.4 | Very low | 32.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | | | cis | -135.4 | -173.5 | -15.1 | 42.3 | -26.4 | 0 | 0 | 0 | 113.7 | | |
| 367 | D | 29.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | | -167.9 | 126.1 | 125.3 | -117 | -17.9 | 0 | 0 | 0 | 114.6 | | |
| 368 | Q | 36.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | | | trans | 52.5 | 140.3 | 151 | -46.2 | -51.1 | -41.7 | 0 | 0 | 121.2 | | |
| 369 | T | 32.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | cis | 178.2 | 155.6 | -11.2 | -103.5 | 0 | 0 | 0 | 0 | 105.5 | | |
| 370 | E | 31.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | cis | -129.5 | -121.9 | 19.9 | -159.4 | 163.7 | -119.9 | 0 | 0 | 112.7 | | |
| 371 | M | 35.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 133 Ų | 133 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | | | trans | -154.4 | 147.6 | -166.1 | -53.4 | 176.5 | -172.4 | 0 | 0 | 114.5 | | |
| 372 | T | 31 | Very low | 31 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 168.8 | 129.9 | 135.4 | 31.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 373 | A | 33.4 | Very low | 31.3 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | cis | 70.4 | 131.5 | 49.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 374 | E | 29.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | cis | -167.6 | 160.5 | -0 | -125.3 | -178.8 | -161.1 | 0 | 0 | 111.8 | | |
| 375 | L | 32.1 | Very low | 31.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | 68.9 | 158.1 | 147.1 | -68.3 | 171.7 | 0 | 0 | 0 | 124.5 | | |
| 376 | T | 30.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 66.9 | 129.3 | 161.4 | 40.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 377 | S | 28.7 | Very low | 31 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | cis | 87.2 | 144.4 | 17.1 | -158.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 378 | L | 30.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | 67.8 | 149.7 | -170.8 | -87.1 | 60.9 | 0 | 0 | 0 | 114.6 | | |
| 379 | H | 30.6 | Very low | 30.9 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | | | cis | -137.3 | 170.1 | 32.9 | -171 | -92.6 | 0 | 0 | 0 | 115.8 | | |
| 380 | N | 28 | Very low | 30.8 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 55% | 0.545 | 76% | 0.757 | S | S | . | * | | | trans | -82.8 | 148 | -173.2 | -38.4 | -87.4 | 0 | 0 | 0 | 115.6 | | |
| 381 | A | 30.2 | Very low | 31 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | | | | 65.2 | 159.3 | 118 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 382 | D | 27.7 | Very low | 30.8 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | | | trans | 78 | 127.5 | 155.3 | -64.2 | -28 | 0 | 0 | 0 | 121.8 | | |
| 383 | A | 34.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | | | trans | -83.1 | 162.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 384 | L | 31 | Very low | 30.3 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 94% | 0.942 | 76% | 0.756 | S | S | * | * | | | trans | -153.5 | 168 | 136.5 | -136.4 | 72.4 | 0 | 0 | 0 | 112.8 | | |
| 385 | N | 29.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | -100.7 | -177.5 | -174.7 | -165.1 | 1.2 | 0 | 0 | 0 | 111.2 | | |
| 386 | N | 26.9 | Very low | 30.5 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | | | trans | 91.1 | 99.9 | 157.7 | -66.1 | -5.5 | 0 | 0 | 0 | 121.2 | | |
| 387 | S | 32.5 | Very low | 30.4 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | | 77.3 | 109.9 | 104.8 | -59.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 388 | S | 32.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | | 97.3 | 174.5 | 108.4 | 80.3 | 0 | 0 | 0 | 0 | 122.6 | | |
| 389 | S | 30.4 | Very low | 30.5 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | 78.4 | 137.5 | -174.3 | 80.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 390 | T | 30.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | cis | -156.4 | -179.1 | -14.1 | 13.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 391 | Q | 36.3 | Very low | 30.8 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -162.2 | 177.5 | 19.1 | -150 | -174.8 | 82.1 | 0 | 0 | 110.8 | | |
| 392 | Q | 30.7 | Very low | 31.1 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | 67 | 104.9 | 166.4 | -57.5 | -178.3 | 21.1 | 0 | 0 | 115.8 | | |
| 393 | A | 27.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 88% | 0.884 | 77% | 0.769 | S | S | * | * | | | | 78.2 | 118.7 | 60.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 394 | G | 26.6 | Very low | 31.8 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | cis | -148.4 | -156.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 395 | S | 25.9 | Very low | 32.3 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | cis | -158 | -170.3 | 5.9 | -159.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 396 | M | 39.9 | Very low | 32.7 | Very low | 155 Ų | 155 | 125 Ų | 125 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -87.6 | 164.3 | 175.7 | -55.5 | 156.8 | 58.1 | 0 | 0 | 110.6 | | |
| 397 | D | 27.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | cis | -157.4 | 136.2 | 44.3 | -87.4 | -58.2 | 0 | 0 | 0 | 116.1 | | |
| 398 | T | 29.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | 37.8 | 116.8 | 135.3 | 71.3 | 0 | 0 | 0 | 0 | 125 | | |
| 399 | S | 32.3 | Very low | 33.8 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | | 64.9 | 133.1 | 125.7 | 70.6 | 0 | 0 | 0 | 0 | 124.6 | | |
| 400 | S | 30.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | | 111.4 | 125.4 | 128.2 | -150.8 | 0 | 0 | 0 | 0 | 121 | | |
| 401 | I | 33.6 | Very low | 34.7 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | 81.5 | 152.3 | 144.9 | -133.4 | 165.6 | 0 | 0 | 0 | 122.6 | | |
| 402 | A | 36.9 | Very low | 34.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | 67.5 | 97 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 403 | D | 35.5 | Very low | 35.2 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 78 | 110 | 54.3 | -170.4 | 20.9 | 0 | 0 | 0 | 113.9 | | |
| 404 | V | 40.4 | Very low | 35.8 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -177.2 | 109 | 144.3 | 142.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 405 | L | 43.4 | Very low | 36.6 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | 63 | 126.6 | 151.2 | -54.3 | 177.9 | 0 | 0 | 0 | 122.5 | | |
| 406 | T | 37 | Very low | 37.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -68.8 | -179.5 | 162 | 30.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 407 | P | 46 | Very low | 37.7 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -132.1 | -178.7 | 10.1 | 38 | -18.1 | 0 | 0 | 0 | 117.3 | | |
| 408 | E | 31.6 | Very low | 39 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -92.5 | 178.7 | 167 | -59.7 | 168.5 | 104.9 | 0 | 0 | 111.8 | | |
| 409 | S | 36.8 | Very low | 40.3 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 60 | 171.5 | 148.3 | 61.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 410 | E | 41.7 | Very low | 41.8 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | | -158.4 | 152.4 | -56.8 | -157.5 | 168.5 | -146 | 0 | 0 | 107.7 | | |
| 411 | H | 37.7 | Very low | 43.1 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | | | trans | 51.9 | 124.9 | 174.1 | -66 | -69.8 | 0 | 0 | 0 | 120.5 | | |
| 412 | Q | 34.6 | Very low | 43.9 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | | | trans | -156.1 | 160.6 | 135 | -121.1 | 175.5 | 2.5 | 0 | 0 | 111.9 | | |
| 413 | E | 43.2 | Very low | 44.9 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -119.8 | 145.7 | -168.8 | 171.7 | 179.2 | -175.9 | 0 | 0 | 110.8 | | |
| 414 | S | 39.7 | Very low | 45.5 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | 169.4 | 158.3 | 150 | -84.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 415 | G | 43.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -83.5 | -157.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 416 | P | 45.7 | Very low | 46.2 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | | | cis | -119.8 | 176.4 | 12.4 | 41.8 | -30.7 | 0 | 0 | 0 | 114.9 | | |
| 417 | N | 43.8 | Very low | 46.7 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | | | trans | -92.7 | 121.7 | 171.3 | 53.5 | -25.8 | 0 | 0 | 0 | 111.9 | D419 | N417-D419 PolarHBondContact O-N 3.31Š|
| 418 | S | 55 | Low | 46.8 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -77.9 | 111.3 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | E420 | S418-E420 PolarHBondContact O-N 2.94Š|
| 419 | D | 57.4 | Low | 47.3 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | -73.7 | 109.7 | 167 | 175.2 | 22.9 | 0 | 0 | 0 | 110.4 | N417 G421 | N417-D419 PolarHBondContact O-N 3.31Å; D419-G421 PolarHBondContact OD1-N 3.35Å |
| 420 | E | 64.1 | Low | 47.7 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | -124.6 | 66.1 | 173.8 | -164.5 | 156.8 | -152.6 | 0 | 0 | 111 | S418 Y422 | S418-E420 PolarHBondContact O-N 2.94Å; E420-Y422 PolarHBondContact O-N 3.13Å; E420-Y422 VanDerWaalsContact O-N 3.1Å |
| 421 | G | 56.9 | Low | 47.7 | Very low | 51 Ų | 51 | 132.4 Ų | 132.4 | 53% | 0.526 | 76% | 0.758 | S | S | . | * | | | trans | -65.7 | 100.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | D419 Y423 | D419-G421 PolarHBondContact OD1-N 3.35Å; G421-Y423 PolarHBondContact O-N 3.05Å; G421-Y423 VanDerWaalsContact O-N 3.1Å |
| 422 | Y | 49.8 | Very low | 47.8 | Very low | 221 Ų | 221 | 133 Ų | 133 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -68.7 | 102.6 | 173 | -169.5 | -94 | 0 | 0 | 0 | 112.3 | E420 D424 | E420-Y422 PolarHBondContact O-N 3.13Å; E420-Y422 VanDerWaalsContact O-N 3.1Å; Y422-D424 PolarHBondContact O-N 3.18Å |
| 423 | Y | 59 | Low | 48 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 39% | 0.392 | 76% | 0.757 | S | S | . | * | | | trans | -85 | 93.8 | -178 | -115.3 | -106.1 | 0 | 0 | 0 | 112.9 | G321 R323 G421 S425 | G321-Y423 WeakPolarHBondContact O-CD2 3.4Å; G321-Y423 WeakPolarHBondContact O-CE2 3.45Å; R323-Y423 VanDerWaalsContact CB-OH 3.29Å; R323-Y423 WeakPolarHBondContact CB-OH 3.09Å; R323-Y423 WeakPolarHBondContact CG-OH 3.49Å; R323-Y423 PolarHBondContact N-OH 2.86Å; R323-Y423 PolarHBondContact NE-OH 2.87Å; G421-Y423 PolarHBondContact O-N 3.05Å; G421-Y423 VanDerWaalsContact O-N 3.1Å; Y423-S425 PolarHBondContact O-N 3.35Å; Y423-S425 VanDerWaalsContact O-N 3.14Å; Y423-S425 PolarHBondContact O-OG 3.29Å |
| 424 | D | 47.8 | Very low | 47.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | -64.8 | 113.4 | 165.6 | -174 | 5.9 | 0 | 0 | 0 | 109.9 | Y422 T426 | Y422-D424 PolarHBondContact O-N 3.18Å; D424-T426 PolarHBondContact O-N 3.13Å |
| 425 | S | 48.4 | Very low | 47.5 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 57% | 0.566 | 75% | 0.746 | S | S | * | * | | | trans | -97.5 | 86.7 | -170.6 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | Y423 T427 | Y423-S425 PolarHBondContact O-N 3.35Å; Y423-S425 VanDerWaalsContact O-N 3.14Å; Y423-S425 PolarHBondContact O-OG 3.29Å; S425-T427 PolarHBondContact O-N 3.1Å; S425-T427 PolarHBondContact O-OG1 3.35Å |
| 426 | T | 49.9 | Very low | 47.1 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -69.1 | 65.5 | 169 | 40.8 | 0 | 0 | 0 | 0 | 111.7 | D424 P428 | D424-T426 PolarHBondContact O-N 3.13Å; T426-P428 VanDerWaalsContact O-CD 3.29Å; T426-P428 WeakPolarHBondContact O-CD 3.47Å |
| 427 | T | 47 | Very low | 46.5 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | trans | -62.4 | 118.2 | 170.2 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | S425 G429 | S425-T427 PolarHBondContact O-N 3.1Å; S425-T427 PolarHBondContact O-OG1 3.35Å; T427-G429 PolarHBondContact O-N 3.16Å; T427-G429 VanDerWaalsContact O-N 3.08Å |
| 428 | P | 48.7 | Very low | 46.2 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | | | trans | -67 | 110.9 | 169.7 | -16 | 31.5 | 0 | 0 | 0 | 108 | T426 | T426-P428 VanDerWaalsContact O-CD 3.29Å; T426-P428 WeakPolarHBondContact O-CD 3.47Å |
| 429 | G | 42.8 | Very low | 45.3 | Very low | 55 Ų | 55 | 135.8 Ų | 135.8 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | | | trans | -62.3 | 160.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T427 D431 | T427-G429 PolarHBondContact O-N 3.16Å; T427-G429 VanDerWaalsContact O-N 3.08Å; G429-D431 PolarHBondContact O-N 3.14Å |
| 430 | P | 45.8 | Very low | 44.5 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 75% | 0.751 | S | S | * | * | | | trans | -71.3 | 101.7 | -178.9 | 29.5 | -34 | 0 | 0 | 0 | 110.8 | E432 | P430-E432 PolarHBondContact O-N 3.37Š|
| 431 | D | 41 | Very low | 43.7 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | | | trans | -63.2 | 125.6 | 166.9 | -102.3 | -26.1 | 0 | 0 | 0 | 109.6 | G429 | G429-D431 PolarHBondContact O-N 3.14Š|
| 432 | E | 39.2 | Very low | 43.2 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -72.7 | 157.5 | -169.1 | -68.9 | -167.4 | 175.3 | 0 | 0 | 114.3 | P430 Q434 | P430-E432 PolarHBondContact O-N 3.37Å; E432-Q434 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact O-N 3.14Å |
| 433 | V | 39.4 | Very low | 43.3 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | | | trans | -58.5 | 112.3 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 434 | Q | 33.2 | Very low | 42.6 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | | | trans | -125.1 | 118.8 | 154.8 | -71.3 | -135.7 | 5.6 | 0 | 0 | 113.4 | E432 | E432-Q434 PolarHBondContact O-N 2.92Å; E432-Q434 VanDerWaalsContact O-N 3.14Å |
| 435 | E | 38.5 | Very low | 42.7 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 57% | 0.565 | 77% | 0.771 | S | S | * | * | | | trans | -79.5 | 120.9 | 178.9 | 179.2 | -155.3 | -176.9 | 0 | 0 | 112 | R437 | E435-R437 IonicContact OE1-CZ 3.09Å; E435-R437 IonicContact OE1-NH1 2.67Å; E435-R437 PolarHBondContact OE1-NH1 3.29Å; E435-R437 IonicContact OE1-NH2 2.76Å; E435-R437 PolarHBondContact OE1-NH2 3.3Å |
| 436 | K | 35.8 | Very low | 42.9 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -164.1 | 95.2 | 145.6 | -102.8 | 135.5 | -159.2 | 160 | 0 | 116 | | |
| 437 | R | 33.3 | Very low | 43.1 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | | | trans | 16.1 | 139 | 143.9 | -62.7 | -175.8 | 176.3 | 70.2 | 19 | 121.7 | E435 | E435-R437 IonicContact OE1-CZ 3.09Å; E435-R437 IonicContact OE1-NH1 2.67Å; E435-R437 PolarHBondContact OE1-NH1 3.29Å; E435-R437 IonicContact OE1-NH2 2.76Å; E435-R437 PolarHBondContact OE1-NH2 3.3Å |
| 438 | S | 36.7 | Very low | 43.6 | Very low | 125 Ų | 125 | 143 Ų | 143 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | 75.3 | 110.9 | 135.6 | 60.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 439 | G | 35.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -168.8 | 90.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L441 | G439-L441 PolarHBondContact O-N 3.18Š|
| 440 | R | 40.8 | Very low | 45 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 76% | 0.757 | S | S | * | * | | | trans | -77.7 | 118.9 | 175.2 | -130.2 | -173.1 | -166.9 | -99.7 | 6.9 | 107.9 | | |
| 441 | L | 47.8 | Very low | 45.5 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -106.9 | 146.8 | 153 | -64.1 | 177.9 | 0 | 0 | 0 | 107.4 | G439 | G439-L441 PolarHBondContact O-N 3.18Š|
| 442 | P | 46.7 | Very low | 46 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | trans | -53.4 | 138.2 | 156.2 | -18 | 32.3 | 0 | 0 | 0 | 108.2 | | |
| 443 | R | 51 | Low | 47 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | -105.2 | 96.8 | 175.5 | -165.5 | 175.8 | -173.4 | 137.8 | 0.8 | 106.8 | S445 | R443-S445 PolarHBondContact O-N 3.43Š|
| 444 | D | 45.3 | Very low | 47.8 | Very low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | -68.8 | 97.6 | -175.6 | -50.4 | -33.8 | 0 | 0 | 0 | 107.6 | | |
| 445 | S | 49.9 | Very low | 48.7 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | | | trans | -146.1 | 58.4 | -171.3 | -64.1 | 0 | 0 | 0 | 0 | 108.6 | R443 S447 | R443-S445 PolarHBondContact O-N 3.43Å; S445-S447 PolarHBondContact O-N 3.01Å |
| 446 | Y | 51.3 | Low | 49.4 | Very low | 206 Ų | 206 | 143.1 Ų | 143.1 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | | | trans | -74.6 | 105 | 164.3 | -162.4 | -102.2 | 0 | 0 | 0 | 106.9 | | |
| 447 | S | 55.5 | Low | 50.3 | Low | 75 Ų | 75 | 139 Ų | 139 | 52% | 0.524 | 74% | 0.735 | S | S | . | * | | | trans | -68.3 | 142.2 | 172.5 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | S445 D449 | S445-S447 PolarHBondContact O-N 3.01Å; S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 2.86Å; S447-D449 PolarHBondContact OG-OD2 3.03Å |
| 448 | G | 56.2 | Low | 51 | Low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -77.5 | 39.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 449 | D | 61.8 | Low | 51.8 | Low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | | | trans | -90.3 | -5.3 | -165.9 | -47.3 | -38.9 | 0 | 0 | 0 | 112.6 | S447 L451 | S447-D449 WeakPolarHBondContact CB-OD2 3.27Å; S447-D449 PolarHBondContact O-N 2.86Å; S447-D449 PolarHBondContact OG-OD2 3.03Å; D449-L451 PolarHBondContact O-N 3.13Å |
| 450 | A | 60.5 | Low | 52.6 | Low | 52 Ų | 52 | 139.5 Ų | 139.5 | 43% | 0.43 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | 27.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 451 | L | 55.8 | Low | 52.9 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 71% | 0.707 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 4.3 | -177.1 | -68.4 | 179.1 | 0 | 0 | 0 | 115.1 | D449 | D449-L451 PolarHBondContact O-N 3.13Š|
| 452 | Y | 52.1 | Low | 53 | Low | 217 Ų | 217 | 134.1 Ų | 134.1 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -107 | 5.6 | 178.5 | -76.9 | -77.1 | 0 | 0 | 0 | 114.7 | | |
| 453 | E | 59.8 | Low | 52.7 | Low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -105.2 | -6.6 | -176.5 | -156.6 | 166.3 | -147.3 | 0 | 0 | 113.6 | | |
| 454 | L | 55.2 | Low | 52.2 | Low | 145 Ų | 145 | 128.8 Ų | 128.8 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -98.9 | -1.4 | 178.8 | -66.8 | 175.9 | 0 | 0 | 0 | 114.3 | | |
| 455 | F | 53.2 | Low | 51.7 | Low | 189 Ų | 189 | 129.8 Ų | 129.8 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | | | trans | -132.7 | 33.8 | -179.8 | -70.5 | -71.8 | 0 | 0 | 0 | 112.6 | P457 | F455-P457 WeakPolarHBondContact O-CD 3.21Š|
| 456 | A | 53.1 | Low | 50.9 | Low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | | | trans | -81 | 115.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 457 | P | 53.6 | Low | 50.1 | Low | 104 Ų | 104 | 131.6 Ų | 131.6 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | | | trans | -67.3 | 141 | 171 | -15.2 | 30.9 | 0 | 0 | 0 | 109.5 | F455 E459 | F455-P457 WeakPolarHBondContact O-CD 3.21Å; P457-E459 VanDerWaalsContact C-N 3.29Å; P457-E459 PolarHBondContact O-N 3.34Å |
| 458 | D | 49.2 | Very low | 49 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | | | trans | -70.2 | 84.3 | 173 | -85.5 | -45.1 | 0 | 0 | 0 | 110.7 | S460 L461 | D458-S460 PolarHBondContact O-N 3.15Å; D458-L461 HydrophobicContact CB-CD1 4.27Å; D458-L461 HydrophobicContact CB-CG 4.26Å; D458-L461 PolarHBondContact O-N 3.19Å |
| 459 | E | 53 | Low | 48.5 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -59.1 | -12.6 | 176.6 | -63.5 | -169.7 | 168.5 | 0 | 0 | 113 | P457 L461 | P457-E459 VanDerWaalsContact C-N 3.29Å; P457-E459 PolarHBondContact O-N 3.34Å; E459-L461 PolarHBondContact O-N 3.14Å |
| 460 | S | 53 | Low | 47.3 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -65.9 | -11.7 | 171 | -65.5 | 0 | 0 | 0 | 0 | 114.7 | D458 | D458-S460 PolarHBondContact O-N 3.15Š|
| 461 | L | 47.6 | Very low | 46 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -96 | -2.4 | -178.1 | -62.2 | -177.9 | 0 | 0 | 0 | 115.1 | D458 E459 | D458-L461 HydrophobicContact CB-CD1 4.27Å; D458-L461 HydrophobicContact CB-CG 4.26Å; D458-L461 PolarHBondContact O-N 3.19Å; E459-L461 PolarHBondContact O-N 3.14Å |
| 462 | I | 49.5 | Very low | 45 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | trans | -93.1 | -10.4 | -175.3 | -96.2 | 59.1 | 0 | 0 | 0 | 114.1 | P464 | I462-P464 VanDerWaalsContact O-CD 3.3Å; I462-P464 WeakPolarHBondContact O-CD 3.35Å |
| 463 | S | 40.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -78.3 | 118.1 | 178.5 | -75.5 | 0 | 0 | 0 | 0 | 112.9 | H465 | S463-H465 PolarHBondContact O-N 3.44Š|
| 464 | P | 41.2 | Very low | 43.3 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | trans | -70.7 | 119.9 | 171.8 | -13 | 29.5 | 0 | 0 | 0 | 109.7 | I462 Y466 | I462-P464 VanDerWaalsContact O-CD 3.3Å; I462-P464 WeakPolarHBondContact O-CD 3.35Å; P464-Y466 VanDerWaalsContact C-N 3.34Å; P464-Y466 PolarHBondContact O-N 3.13Å |
| 465 | H | 33.3 | Very low | 42.4 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | trans | -71.7 | 84.5 | -178.3 | -176.9 | -74.3 | 0 | 0 | 0 | 111.7 | S463 E467 | S463-H465 PolarHBondContact O-N 3.44Å; H465-E467 PolarHBondContact O-N 3.37Å; H465-E467 VanDerWaalsContact O-N 3.14Å |
| 466 | Y | 34.4 | Very low | 41.6 | Very low | 213 Ų | 213 | 135 Ų | 135 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | | | trans | -74.8 | 101.8 | -179.9 | -142.3 | -83.1 | 0 | 0 | 0 | 110.8 | P464 N468 | P464-Y466 VanDerWaalsContact C-N 3.34Å; P464-Y466 PolarHBondContact O-N 3.13Å; Y466-N468 VanDerWaalsContact C-N 3.3Å; Y466-N468 PolarHBondContact O-N 2.98Å |
| 467 | E | 34.2 | Very low | 40.6 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 56% | 0.556 | 74% | 0.743 | S | S | * | * | | | trans | -75.8 | 74.8 | -174.6 | -160.7 | -162.1 | -156.2 | 0 | 0 | 112 | H465 K469 | H465-E467 PolarHBondContact O-N 3.37Å; H465-E467 VanDerWaalsContact O-N 3.14Å; E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 HydrophobicContact CG-CG 4.32Å; E467-K469 PolarHBondContact O-N 3.03Å; E467-K469 WeakPolarHBondContact OE1-CE 3.32Å; E467-K469 IonicContact OE1-NZ 2.72Å; E467-K469 PolarHBondContact OE1-NZ 3.1Å; E467-K469 WeakPolarHBondContact OE2-CE 3.15Å; E467-K469 IonicContact OE2-NZ 2.64Å; E467-K469 PolarHBondContact OE2-NZ 3.1Å |
| 468 | N | 31.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | trans | -74.4 | 82.1 | 179.6 | -166.5 | -26.3 | 0 | 0 | 0 | 111.6 | Y466 S470 | Y466-N468 VanDerWaalsContact C-N 3.3Å; Y466-N468 PolarHBondContact O-N 2.98Å; N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.23Å; N468-S470 PolarHBondContact OD1-OG 3.23Å; N468-S470 VanDerWaalsContact OD1-OG 3.06Å |
| 469 | K | 45.5 | Very low | 38.6 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | trans | -69.8 | 80.7 | 173.3 | -79.6 | 171.1 | 169.2 | 142.2 | 0 | 111.6 | E467 | E467-K469 VanDerWaalsContact C-N 3.32Å; E467-K469 HydrophobicContact CG-CG 4.32Å; E467-K469 PolarHBondContact O-N 3.03Å; E467-K469 WeakPolarHBondContact OE1-CE 3.32Å; E467-K469 IonicContact OE1-NZ 2.72Å; E467-K469 PolarHBondContact OE1-NZ 3.1Å; E467-K469 WeakPolarHBondContact OE2-CE 3.15Å; E467-K469 IonicContact OE2-NZ 2.64Å; E467-K469 PolarHBondContact OE2-NZ 3.1Å |
| 470 | S | 37 | Very low | 37.6 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 54% | 0.538 | 75% | 0.747 | S | S | . | * | | | trans | -144.4 | 146.1 | 166.3 | 64.7 | 0 | 0 | 0 | 0 | 114.9 | N468 | N468-S470 VanDerWaalsContact C-N 3.32Å; N468-S470 PolarHBondContact O-N 3.23Å; N468-S470 PolarHBondContact OD1-OG 3.23Å; N468-S470 VanDerWaalsContact OD1-OG 3.06Å |
| 471 | Q | 32.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | 84.6 | 131.3 | 167.6 | -47.1 | -164.6 | 21.7 | 0 | 0 | 118.8 | | |
| 472 | L | 34.3 | Very low | 36 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -104.6 | 176 | -177 | -92.2 | 168 | 0 | 0 | 0 | 109.8 | | |
| 473 | P | 47.2 | Very low | 35.1 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | -98.7 | 164.9 | -139.6 | 38.1 | -39.5 | 0 | 0 | 0 | 116.2 | | |
| 474 | S | 30.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -141.2 | 149.9 | 146 | 79.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 475 | S | 35.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | 144.7 | 108.2 | -6.8 | 171.3 | 0 | 0 | 0 | 0 | 105.4 | | |
| 476 | K | 36.8 | Very low | 34.1 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | trans | 179 | 145.6 | 139.9 | -95.9 | 151.2 | -172.5 | 177.5 | 0 | 112.2 | | |
| 477 | H | 31.2 | Very low | 34 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | | | trans | -11.8 | 148.8 | 162.9 | -57 | -99 | 0 | 0 | 0 | 117.7 | | |
| 478 | G | 30 | Very low | 33.9 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | cis | 149.6 | 166 | 23.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 479 | D | 31.3 | Very low | 33.9 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -160.8 | 147.4 | 12.4 | -97.5 | -37.9 | 0 | 0 | 0 | 111.3 | | |
| 480 | Y | 31.6 | Very low | 34 | Very low | 203 Ų | 203 | 135.6 Ų | 135.6 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 35.8 | 126.1 | 159 | -64.1 | -84.8 | 0 | 0 | 0 | 125.3 | | |
| 481 | L | 35.4 | Very low | 33.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | | 160.1 | 114.9 | 122.4 | -83.2 | 166.5 | 0 | 0 | 0 | 109.8 | | |
| 482 | T | 32.2 | Very low | 33.8 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 76% | 0.762 | S | S | * | * | | | | 78.9 | 119.3 | 74 | -68.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 483 | E | 31.6 | Very low | 33.7 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | cis | -168.2 | -174 | -4.9 | -137.9 | 134.5 | 104 | 0 | 0 | 113.7 | | |
| 484 | S | 30.8 | Very low | 33 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 72.9 | 131.1 | 177.1 | 72.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 485 | V | 30.6 | Very low | 33 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | cis | 103.1 | 106.4 | 22.7 | 174.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 486 | N | 31.3 | Very low | 32.9 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | 158.5 | 91.3 | 149.5 | -81.9 | -22.2 | 0 | 0 | 0 | 108.6 | | |
| 487 | S | 32 | Very low | 32.9 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 69.6 | 101.1 | 84.2 | 72 | 0 | 0 | 0 | 0 | 115.9 | | |
| 488 | T | 33.5 | Very low | 32.9 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | | | | 176.7 | 115.5 | 125.2 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 489 | D | 30.1 | Very low | 33 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -99.5 | 163.3 | 161.9 | -167.9 | 47.3 | 0 | 0 | 0 | 106.3 | | |
| 490 | P | 48.2 | Very low | 33 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | | | cis | -133.7 | -152 | 15.6 | 33.3 | -5.8 | 0 | 0 | 0 | 112 | | |
| 491 | A | 30.9 | Very low | 33.1 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 52% | 0.521 | 77% | 0.774 | S | S | . | * | | | cis | -169 | 163.8 | 13.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 492 | F | 34.2 | Very low | 33 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | 58.2 | 133.2 | 158.4 | -51.1 | -60.8 | 0 | 0 | 0 | 119.3 | | |
| 493 | V | 33.8 | Very low | 33 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | 88.7 | 105.8 | 23.5 | -174.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 494 | L | 32 | Very low | 33.1 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -169.5 | 128.8 | 153.9 | -138.9 | 70.1 | 0 | 0 | 0 | 105 | | |
| 495 | E | 30.5 | Very low | 33.3 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | cis | 83.9 | 124 | 23.2 | -138.7 | -158 | 146.5 | 0 | 0 | 116.1 | | |
| 496 | M | 33.8 | Very low | 33.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | 64.6 | 150.3 | 170.3 | -59.6 | -49.6 | -155.1 | 0 | 0 | 118.6 | | |
| 497 | S | 35.8 | Very low | 33.7 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | cis | -163.4 | 170.9 | -19.4 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 498 | H | 31 | Very low | 33.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -59.3 | 149.9 | 179.7 | -65.9 | -105.5 | 0 | 0 | 0 | 114 | | |
| 499 | L | 33.2 | Very low | 33.8 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -125.7 | 138.1 | 155.8 | -75.4 | 176.6 | 0 | 0 | 0 | 110.3 | | |
| 500 | Q | 30.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -116.6 | 135.4 | -179.9 | -179.5 | 177.5 | -0.6 | 0 | 0 | 107.9 | | |
| 501 | I | 33 | Very low | 33 | Very low | 166 Ų | 166 | 152 Ų | 152 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -115 | 126 | -178.2 | -58.9 | 176.6 | 0 | 0 | 0 | 108.8 | | |
| 502 | S | 33 | Very low | 32.9 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -115.6 | 141.2 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 503 | A | 33.9 | Very low | 32.6 | Very low | 95 Ų | 95 | 153.3 Ų | 153.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -78.5 | 147.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 504 | D | 33.4 | Very low | 32.5 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -176.5 | 113.2 | 150.1 | -108.7 | -22 | 0 | 0 | 0 | 111.4 | | |
| 505 | L | 34.4 | Very low | 32.4 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | | | | 178.7 | 138.2 | 124 | -122 | 71.2 | 0 | 0 | 0 | 112.6 | | |
| 506 | Y | 33.8 | Very low | 32.3 | Very low | 205 Ų | 205 | 148.3 Ų | 148.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -81.1 | 152.7 | 166.9 | -86 | -113 | 0 | 0 | 0 | 111.8 | | |
| 507 | K | 36.1 | Very low | 32 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | | -176.8 | 154.2 | 107.5 | -98.7 | -169.1 | 178.4 | -151.1 | 0 | 114.5 | | |
| 508 | D | 35.1 | Very low | 31.6 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 66% | 0.658 | 82% | 0.817 | S | S | * | * | | | trans | -77.7 | 154.4 | -176 | -37.5 | -98.8 | 0 | 0 | 0 | 113.3 | | |
| 509 | D | 32.7 | Very low | 31.7 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | | -164.8 | 172.3 | 108.1 | -123.4 | -39.4 | 0 | 0 | 0 | 113.3 | | |
| 510 | F | 29.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | | | trans | -87.6 | 148 | -154.5 | -86 | -115.8 | 0 | 0 | 0 | 118.9 | | |
| 511 | L | 33 | Very low | 31.4 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | | | trans | 55 | 114.6 | 146 | -65.6 | 167.1 | 0 | 0 | 0 | 120.3 | | |
| 512 | A | 28.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | | 171 | 131.1 | 89.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 513 | M | 28.6 | Very low | 31.2 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | | | trans | -150 | 119.2 | 159.5 | -171.6 | 149.5 | -72.3 | 0 | 0 | 110.9 | | |
| 514 | S | 30.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -124.8 | 125.1 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 515 | S | 29.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | 43.1 | 115.1 | 148.1 | 61.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 516 | S | 29.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | 76.2 | 122.6 | 129.5 | -53.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 517 | F | 26.1 | Very low | 30.7 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | | | trans | -65 | 144.4 | 157.8 | -81.5 | -95.3 | 0 | 0 | 0 | 111.6 | | |
| 518 | S | 28.9 | Very low | 30.6 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -144.5 | 146.9 | 152.8 | -81.3 | 0 | 0 | 0 | 0 | 109 | | |
| 519 | K | 31.4 | Very low | 30.4 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | -78.6 | 143.5 | -168.3 | -73.8 | 178.3 | 177 | 173.3 | 0 | 112.3 | | |
| 520 | N | 29.8 | Very low | 30.3 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -76.8 | 132.8 | 177.5 | -71.4 | -31.8 | 0 | 0 | 0 | 113.2 | | |
| 521 | Q | 29.5 | Very low | 30.5 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -153.8 | 141.1 | 144.1 | -102.3 | -165.3 | -46.2 | 0 | 0 | 106.4 | | |
| 522 | D | 29.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | | | cis | -159.1 | 173.7 | -4.6 | -151 | -31.1 | 0 | 0 | 0 | 108.7 | | |
| 523 | I | 32 | Very low | 30.4 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | 66.2 | 121.8 | 162 | -55.3 | 155.6 | 0 | 0 | 0 | 118 | | |
| 524 | G | 28.2 | Very low | 30.5 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 160.8 | 121.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 525 | A | 31.2 | Very low | 31.9 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -82.5 | 171.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 526 | N | 30.3 | Very low | 32 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | | | cis | -154.6 | 172.6 | 19.4 | 66.9 | -27.5 | 0 | 0 | 0 | 114.9 | | |
| 527 | E | 36.1 | Very low | 32 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | trans | 51.9 | 122.6 | 140.3 | -76.3 | 174.5 | -103.7 | 0 | 0 | 124.2 | | |
| 528 | N | 32.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | | | | 82.1 | 112.6 | 123.8 | -65.5 | -19.9 | 0 | 0 | 0 | 122.4 | | |
| 529 | C | 31.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 69% | 0.689 | 74% | 0.735 | S | S | * | * | | | | 75.6 | 154.9 | 123 | -64.2 | 0 | 0 | 0 | 0 | 119 | | |
| 530 | N | 30.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | | | cis | -169.6 | 138.1 | -18.9 | -110.3 | -21.3 | 0 | 0 | 0 | 109.8 | | |
| 531 | L | 33.7 | Very low | 32 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | | | trans | 62.6 | 167.6 | 139.7 | -55.7 | 174.8 | 0 | 0 | 0 | 117.7 | | |
| 532 | N | 30.8 | Very low | 32.3 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | | | cis | -161.1 | 167.2 | -8.7 | -127.2 | -21.4 | 0 | 0 | 0 | 112.1 | | |
| 533 | L | 28.9 | Very low | 32.6 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | | | trans | 53.3 | 126.8 | 146 | -63 | 165.1 | 0 | 0 | 0 | 119.8 | | |
| 534 | K | 30.5 | Very low | 32.7 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | | | cis | 64.9 | 152.8 | 40 | -131.1 | -162.6 | 177.2 | 178.5 | 0 | 113.5 | | |
| 535 | P | 59.6 | Low | 33 | Very low | 92 Ų | 92 | 133 Ų | 133 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | | | cis | -129.5 | -171.8 | -45.1 | 22.5 | 0.5 | 0 | 0 | 0 | 114 | | |
| 536 | Q | 31.6 | Very low | 33.3 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | | | | 146.9 | 152.3 | 116.6 | -78.3 | -162.6 | 89.9 | 0 | 0 | 118.7 | | |
| 537 | I | 29.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | | | trans | 73 | 147.7 | 142.2 | -81.1 | 167 | 0 | 0 | 0 | 118.6 | | |
| 538 | L | 28.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | cis | -177.8 | 174.2 | -15 | -173.9 | 68.4 | 0 | 0 | 0 | 110 | | |
| 539 | V | 28.6 | Very low | 33.3 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | | | trans | 81.4 | 146.6 | 159.1 | -172 | 0 | 0 | 0 | 0 | 117.5 | | |
| 540 | N | 28 | Very low | 33.5 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | | | cis | -177.6 | 172.2 | -33.2 | -164.9 | 2.8 | 0 | 0 | 0 | 110.1 | | |
| 541 | T | 32.5 | Very low | 33.9 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 60% | 0.595 | 73% | 0.728 | S | S | * | * | | | trans | 73.7 | 112.4 | 151.8 | 44.4 | 0 | 0 | 0 | 0 | 125.6 | | |
| 542 | N | 35.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | | 83.4 | 100.6 | 118.2 | -61.1 | -10.4 | 0 | 0 | 0 | 126.4 | | |
| 543 | N | 34.7 | Very low | 34.3 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | | | | 34.5 | 136.4 | 114.2 | -67.6 | -57 | 0 | 0 | 0 | 124.5 | | |
| 544 | L | 34.7 | Very low | 34.4 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | | | | -178.1 | 130.4 | 129.9 | -104.9 | 166 | 0 | 0 | 0 | 118.1 | | |
| 545 | K | 35.8 | Very low | 34.5 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 81% | 0.809 | 73% | 0.729 | S | S | * | * | | | trans | 44.5 | 136.4 | 152.8 | -76.4 | 175.4 | -177.1 | 170.6 | 0 | 122.4 | | |
| 546 | A | 36.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | | 83.9 | 141.9 | 51.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 547 | K | 31.4 | Very low | 33.4 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 81% | 0.809 | 75% | 0.746 | S | S | * | * | | | cis | -145.8 | 156.7 | 31.4 | -74.2 | -179.9 | 171.4 | -175 | 0 | 113.3 | | |
| 548 | I | 35.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | | 38.3 | 134.3 | 90.6 | -4.4 | 171.7 | 0 | 0 | 0 | 115.9 | | |
| 549 | F | 33.6 | Very low | 33.7 | Very low | 188 Ų | 188 | 139 Ų | 139 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | cis | -165.1 | -165.1 | 45.8 | -124.7 | -81.1 | 0 | 0 | 0 | 111.8 | | |
| 550 | D | 35.8 | Very low | 33.9 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | -147.7 | 179.3 | -105.5 | -160.6 | -1.2 | 0 | 0 | 0 | 112.7 | | |
| 551 | E | 37.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 62% | 0.617 | 76% | 0.755 | S | S | * | * | | | trans | 77.7 | 122.1 | 156.4 | -68.6 | -156.3 | 122.8 | 0 | 0 | 125.7 | | |
| 552 | K | 37.5 | Very low | 34.4 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | | 69.6 | 161.6 | 125.4 | -70.1 | -174.2 | 170 | 149.8 | 0 | 124 | | |
| 553 | E | 34.6 | Very low | 34.2 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | | | cis | -174.2 | 159.6 | -23.8 | 178.7 | 170.2 | 176.3 | 0 | 0 | 112 | | |
| 554 | T | 30.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | 65.2 | 110.2 | 160 | 40 | 0 | 0 | 0 | 0 | 124.8 | | |
| 555 | M | 33.6 | Very low | 34.8 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | | | | 63.2 | 148.1 | 111.1 | -91.6 | -165.4 | -179.7 | 0 | 0 | 127.3 | | |
| 556 | L | 33.6 | Very low | 34.7 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | 93.4 | 158.6 | 149.9 | -76.7 | 167.6 | 0 | 0 | 0 | 122.1 | | |
| 557 | A | 33.8 | Very low | 34.4 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -114.7 | 173.6 | -147.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 558 | S | 29.5 | Very low | 34.7 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -157.3 | 172.2 | 166.3 | -165.4 | 0 | 0 | 0 | 0 | 112 | | |
| 559 | A | 34.2 | Very low | 34.6 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -151.5 | 167.9 | -160.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 560 | D | 33 | Very low | 34.6 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | 83.5 | 153.4 | 148 | -166.1 | 35.7 | 0 | 0 | 0 | 121.5 | | |
| 561 | K | 36.2 | Very low | 34.4 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 128.5 | 76.3 | 150.5 | -67 | 162.4 | -172.3 | 165.6 | 0 | 119.9 | | |
| 562 | R | 34.6 | Very low | 34.8 | Very low | 239 Ų | 239 | 147.3 Ų | 147.3 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | | 38.9 | 123.4 | 116.1 | -172.7 | -168.3 | -165.4 | 179.7 | 7.3 | 121.8 | | |
| 563 | T | 32.7 | Very low | 34.7 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -149.1 | 153.6 | 149.4 | -19.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 564 | K | 36.9 | Very low | 34.6 | Very low | 200 Ų | 200 | 148 Ų | 148 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | | | trans | -148.3 | 156.1 | 166.1 | -76.5 | -165.3 | 176.1 | -171 | 0 | 108.3 | | |
| 565 | P | 45.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | | | | -157.2 | 160.7 | 101.4 | 40.2 | -21.5 | 0 | 0 | 0 | 118.5 | | |
| 566 | I | 31.9 | Very low | 34.5 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | 57.9 | 113.8 | 139.2 | -69.2 | 168.7 | 0 | 0 | 0 | 118.8 | | |
| 567 | N | 31.1 | Very low | 34.5 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | 68.8 | 141 | 71.1 | -66.6 | -5.4 | 0 | 0 | 0 | 114.2 | | |
| 568 | A | 37.6 | Very low | 34.5 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | cis | -148.5 | 175 | -4.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 569 | E | 32.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | | | cis | -155.4 | -153.3 | 38.8 | -139.8 | -156.3 | 175.4 | 0 | 0 | 108.7 | | |
| 570 | R | 33.1 | Very low | 34.4 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | | | cis | -144.6 | 167.2 | 1.2 | -171.8 | 159.3 | -168.8 | 91.5 | 15.4 | 111.3 | | |
| 571 | E | 33.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 147 Ų | 147 | 49% | 0.491 | 78% | 0.784 | S | S | . | * | | | trans | -43.4 | 139 | 172.3 | -52.8 | 173.4 | 85.9 | 0 | 0 | 118.6 | R573 | E571-R573 IonicContact OE1-NH2 3.43Å; E571-R573 PolarHBondContact OE1-NH2 3Å |
| 572 | K | 45.1 | Very low | 34.5 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | | -155 | 160.4 | 105.4 | -107.3 | 170.7 | -175.9 | 177.1 | 0 | 111.9 | | |
| 573 | R | 36.8 | Very low | 34.5 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | | | trans | -97.2 | 164.4 | -171.3 | -77.9 | 170 | -100.6 | 156.7 | -6.9 | 110.8 | E571 | E571-R573 IonicContact OE1-NH2 3.43Å; E571-R573 PolarHBondContact OE1-NH2 3Å |
| 574 | C | 32.2 | Very low | 34.8 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 72% | 0.716 | 78% | 0.782 | S | S | * | * | | | cis | -160.4 | 168.1 | 5.7 | -130.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 575 | S | 31 | Very low | 35.3 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 53.3 | 135.9 | 154.5 | 54.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 576 | G | 30.8 | Very low | 34.9 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | cis | 164.2 | 176.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 577 | L | 34.3 | Very low | 35.1 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 99% | 0.99 | 79% | 0.788 | S | S | * | * | | | trans | 70.5 | 168.5 | 169.2 | -59.8 | 179.2 | 0 | 0 | 0 | 118.6 | | |
| 578 | S | 31.9 | Very low | 35.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -167.7 | 164.2 | -151.8 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 579 | F | 33.9 | Very low | 35.5 | Very low | 213 Ų | 213 | 140.9 Ų | 140.9 | 93% | 0.934 | 78% | 0.781 | S | S | * | * | | | trans | 65.8 | 142.7 | 174.7 | -66.7 | -77.6 | 0 | 0 | 0 | 118.5 | | |
| 580 | G | 28.5 | Very low | 35.5 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | 154.3 | 117.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 581 | S | 36.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -137.2 | 155.4 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 582 | A | 34.8 | Very low | 35.5 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 68 | 111.2 | 171 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 583 | S | 35.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | | -171.8 | 135.3 | 123.3 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 584 | D | 39.1 | Very low | 34.9 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -67.9 | 165.6 | 164 | -52.2 | -77.1 | 0 | 0 | 0 | 111.2 | | |
| 585 | P | 46.2 | Very low | 35.2 | Very low | 109 Ų | 109 | 143 Ų | 143 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | trans | -136.1 | 156.8 | 136.4 | 38 | -27.9 | 0 | 0 | 0 | 113.9 | | |
| 586 | D | 38.5 | Very low | 35.4 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -63.7 | 163.1 | 174 | -49.4 | -86.1 | 0 | 0 | 0 | 113.6 | | |
| 587 | F | 34.8 | Very low | 35.6 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | -132.8 | 112.4 | 157.5 | -92.1 | -86.3 | 0 | 0 | 0 | 110.4 | | |
| 588 | E | 40.7 | Very low | 35.9 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | -122.8 | 138.5 | 172.2 | -175.1 | 178.4 | -135.5 | 0 | 0 | 108.6 | | |
| 589 | T | 37.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 66% | 0.663 | 82% | 0.822 | S | S | * | * | | | trans | 67.5 | 133.1 | 179.4 | -3.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 590 | F | 32.5 | Very low | 36.4 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | | | | -175.1 | 134.1 | 105.5 | -100.9 | -66.1 | 0 | 0 | 0 | 113.2 | | |
| 591 | C | 33.4 | Very low | 37 | Very low | 110 Ų | 110 | 155 Ų | 155 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | 43.6 | 126.4 | 159 | -63.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 592 | E | 32 | Very low | 37.2 | Very low | 183 Ų | 183 | 156 Ų | 156 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143 | 147.6 | -58.3 | 160 | 129.2 | 0 | 0 | 110.9 | | |
| 593 | P | 37.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.7 | 153.6 | -0.3 | 19.1 | 0 | 0 | 0 | 109.7 | | |
| 594 | K | 31 | Very low | 37.3 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 156 | 173.4 | -73.3 | -173.3 | 176.4 | -174.6 | 0 | 112.2 | | |
| 595 | E | 38.5 | Very low | 37.3 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.2 | 173.9 | -173.7 | 168.7 | -127.1 | 0 | 0 | 113.2 | | |
| 596 | E | 35.4 | Very low | 36.9 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -129.2 | 129.7 | 160.1 | -74.7 | -170.8 | 167.6 | 0 | 0 | 107.9 | I598 | E596-I598 PolarHBondContact O-N 2.89Š|
| 597 | H | 36.3 | Very low | 36.7 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | trans | -60.8 | 124 | 175 | -92.2 | -115.1 | 0 | 0 | 0 | 110.2 | | |
| 598 | I | 40.2 | Very low | 36.4 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -121.9 | 134.7 | 162.7 | -62.9 | -175.8 | 0 | 0 | 0 | 109.3 | E596 | E596-I598 PolarHBondContact O-N 2.89Š|
| 599 | E | 37.6 | Very low | 36 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -88.5 | 158.8 | -165 | -179 | 171.5 | -137.9 | 0 | 0 | 112.8 | | |
| 600 | E | 39.6 | Very low | 35.5 | Very low | 143 Ų | 143 | 158.8 Ų | 158.8 | 67% | 0.668 | 81% | 0.808 | S | S | * | * | | | trans | 63.4 | 119.7 | 169.6 | -82.5 | -177.6 | -177.5 | 0 | 0 | 120.7 | K602 | E600-K602 PolarHBondContact O-N 3.19Å; E600-K602 IonicContact OE2-NZ 2.52Å; E600-K602 PolarHBondContact OE2-NZ 3.42Å |
| 601 | N | 40.7 | Very low | 35.5 | Very low | 171 Ų | 171 | 156.7 Ų | 156.7 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | -59.5 | 111.5 | 160.7 | -75.4 | -66.1 | 0 | 0 | 0 | 112 | | |
| 602 | K | 39.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 63% | 0.63 | 81% | 0.806 | S | S | * | * | | | trans | -137.8 | 128.1 | 160.5 | -69 | -167.1 | 174.7 | 89.6 | 0 | 110.8 | E600 V604 | E600-K602 PolarHBondContact O-N 3.19Å; E600-K602 IonicContact OE2-NZ 2.52Å; E600-K602 PolarHBondContact OE2-NZ 3.42Å; K602-V604 PolarHBondContact O-N 2.98Å |
| 603 | P | 38.6 | Very low | 35.4 | Very low | 136 Ų | 136 | 154 Ų | 154 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -72 | 99.1 | 178.4 | 28.5 | -33.7 | 0 | 0 | 0 | 110.9 | A605 | P603-A605 PolarHBondContact O-N 3.35Å; P603-A605 VanDerWaalsContact O-N 3.14Å |
| 604 | V | 34.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 157.7 Ų | 157.7 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | trans | -74 | 103.2 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 109.9 | K602 L606 | K602-V604 PolarHBondContact O-N 2.98Å; V604-L606 PolarHBondContact O-N 2.79Å |
| 605 | A | 38.3 | Very low | 35.3 | Very low | 94 Ų | 94 | 153.3 Ų | 153.3 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | -65.1 | 116.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P603 | P603-A605 PolarHBondContact O-N 3.35Å; P603-A605 VanDerWaalsContact O-N 3.14Å |
| 606 | L | 37 | Very low | 35.1 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -69.9 | 130.3 | 175.2 | -64.5 | 178.4 | 0 | 0 | 0 | 110.7 | V604 Y608 | V604-L606 PolarHBondContact O-N 2.79Å; L606-Y608 PolarHBondContact O-N 3.37Å; L606-Y608 VanDerWaalsContact O-N 3.13Å |
| 607 | P | 34.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 107.8 | -178 | 28.3 | -33.9 | 0 | 0 | 0 | 111.4 | K609 | P607-K609 PolarHBondContact O-N 3.29Å; P607-K609 VanDerWaalsContact O-N 3.16Å |
| 608 | Y | 28.6 | Very low | 35.1 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -57.5 | 115.9 | 171.2 | -95.3 | -97.2 | 0 | 0 | 0 | 111.1 | L606 N610 | L606-Y608 PolarHBondContact O-N 3.37Å; L606-Y608 VanDerWaalsContact O-N 3.13Å; Y608-N610 PolarHBondContact O-N 3.02Å; Y608-N610 VanDerWaalsContact O-N 3.1Å |
| 609 | K | 32.4 | Very low | 35 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -75.4 | 97.1 | 170.7 | -74.3 | -178 | 178.1 | 174.7 | 0 | 109.7 | P607 I611 | P607-K609 PolarHBondContact O-N 3.29Å; P607-K609 VanDerWaalsContact O-N 3.16Å; K609-I611 PolarHBondContact O-N 3.02Å; K609-I611 VanDerWaalsContact O-N 3.13Å |
| 610 | N | 27.2 | Very low | 34.9 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | -67.7 | 104.7 | 171.5 | -175.9 | -13.6 | 0 | 0 | 0 | 110.3 | Y608 N612 | Y608-N610 PolarHBondContact O-N 3.02Å; Y608-N610 VanDerWaalsContact O-N 3.1Å; N610-N612 PolarHBondContact O-N 3.46Å; N610-N612 WeakPolarHBondContact OD1-CB 3.29Å; N610-N612 PolarHBondContact OD1-N 3.22Å |
| 611 | I | 33.5 | Very low | 35.3 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | -89.9 | 80 | 173 | -52 | 178.2 | 0 | 0 | 0 | 108.1 | K609 S613 | K609-I611 PolarHBondContact O-N 3.02Å; K609-I611 VanDerWaalsContact O-N 3.13Å; I611-S613 VanDerWaalsContact C-N 3.26Å; I611-S613 PolarHBondContact O-N 3.29Å |
| 612 | N | 29.5 | Very low | 35.3 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -79.2 | 72.5 | -177.2 | -151.9 | 32 | 0 | 0 | 0 | 111 | N610 | N610-N612 PolarHBondContact O-N 3.46Å; N610-N612 WeakPolarHBondContact OD1-CB 3.29Å; N610-N612 PolarHBondContact OD1-N 3.22Å |
| 613 | S | 32.4 | Very low | 35.8 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -86.8 | 115.3 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | I611 S615 | I611-S613 VanDerWaalsContact C-N 3.26Å; I611-S613 PolarHBondContact O-N 3.29Å; S613-S615 PolarHBondContact O-N 2.85Å |
| 614 | Q | 35.2 | Very low | 36.3 | Very low | 203 Ų | 203 | 148 Ų | 148 | 95% | 0.949 | 78% | 0.78 | S | S | * | * | | | trans | -65.9 | 123.1 | 165.9 | -67.3 | 176.3 | -27.9 | 0 | 0 | 109.3 | | |
| 615 | S | 31.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -116.1 | 136.1 | 167.5 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | S613 | S613-S615 PolarHBondContact O-N 2.85Š|
| 616 | E | 33.7 | Very low | 37.9 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -73.4 | 161.4 | -172.9 | -65.2 | 169.8 | 121.3 | 0 | 0 | 113.4 | C618 | E616-C618 PolarHBondContact O-N 3.33Š|
| 617 | E | 40.8 | Very low | 39 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -73.5 | 79 | -168.1 | -169.3 | 173.4 | -138.6 | 0 | 0 | 113.4 | N619 | E617-N619 PolarHBondContact O-N 2.83Š|
| 618 | C | 30.9 | Very low | 40.8 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | -82.8 | 93.1 | 178 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | E616 S620 | E616-C618 PolarHBondContact O-N 3.33Å; C618-S620 PolarHBondContact O-N 3.18Å; C618-S620 VanDerWaalsContact O-N 3.13Å |
| 619 | N | 39.4 | Very low | 43 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | trans | -69.4 | 101 | 168.2 | -83 | -87.6 | 0 | 0 | 0 | 111.1 | E617 | E617-N619 PolarHBondContact O-N 2.83Š|
| 620 | S | 35.5 | Very low | 45.2 | Very low | 88 Ų | 88 | 138.8 Ų | 138.8 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | -125.3 | 110.4 | 166.8 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | C618 I622 | C618-S620 PolarHBondContact O-N 3.18Å; C618-S620 VanDerWaalsContact O-N 3.13Å; S620-I622 PolarHBondContact O-N 3.31Å; S620-I622 VanDerWaalsContact O-N 3.13Å |
| 621 | Y | 46.7 | Very low | 48 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -64.5 | 106.4 | 176.2 | -175.2 | -89.2 | 0 | 0 | 0 | 110.1 | E623 | Y621-E623 HydrophobicContact CE1-CB 4.15Å; Y621-E623 PolarHBondContact OH-OE2 3.22Å |
| 622 | I | 41.6 | Very low | 50.3 | Low | 143 Ų | 143 | 133.8 Ų | 133.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | trans | -128 | 103.8 | 169.4 | -60.6 | -179.1 | 0 | 0 | 0 | 107.2 | S620 D624 | S620-I622 PolarHBondContact O-N 3.31Å; S620-I622 VanDerWaalsContact O-N 3.13Å; I622-D624 PolarHBondContact O-N 3.25Å |
| 623 | E | 48.8 | Very low | 52.8 | Low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | trans | -89 | 86.3 | 174.1 | -178.2 | 173.7 | -175.4 | 0 | 0 | 108.6 | Y621 | Y621-E623 HydrophobicContact CE1-CB 4.15Å; Y621-E623 PolarHBondContact OH-OE2 3.22Å |
| 624 | D | 49 | Very low | 55.4 | Low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -173.1 | 142 | 153.1 | -110.3 | -31.7 | 0 | 0 | 0 | 111.6 | I622 Q626 | I622-D624 PolarHBondContact O-N 3.25Å; D624-Q626 PolarHBondContact O-N 3.23Å |
| 625 | G | 54.6 | Low | 57.9 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | | | trans | 63.9 | 38.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | T627 | G625-T627 PolarHBondContact O-N 3.26Š|
| 626 | Q | 52.9 | Low | 60.2 | Low | 185 Ų | 185 | 119.6 Ų | 119.6 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | | | trans | -72.8 | 84.8 | -175.3 | -161.8 | 166.9 | 37.5 | 0 | 0 | 113.8 | D624 V628 | D624-Q626 PolarHBondContact O-N 3.23Å; Q626-V628 PolarHBondContact O-N 3.37Å |
| 627 | T | 60.6 | Low | 62.5 | Low | 139 Ų | 139 | 118.5 Ų | 118.5 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | | | trans | -70.2 | 95.2 | 175.9 | 56 | 0 | 0 | 0 | 0 | 111.7 | G625 C629 | G625-T627 PolarHBondContact O-N 3.26Å; T627-C629 PolarHBondContact O-N 3.08Å |
| 628 | V | 71.8 | Confident | 64.3 | Low | 90 Ų | 90 | 113 Ų | 113 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | | | trans | -70.6 | 123.4 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | Q626 Q632 A633 | Q626-V628 PolarHBondContact O-N 3.37Å; V628-Q632 HydrophobicContact CG1-CB 4Å; V628-Q632 HydrophobicContact CG1-CG 4.15Å; V628-A633 HydrophobicContact CG1-CB 3.94Å |
| 629 | C | 75.3 | Confident | 66.5 | Low | 81 Ų | 81 | 112.2 Ų | 112.2 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | | | trans | -62.5 | 138.1 | 172.8 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | T627 S631 Q632 A633 | T627-C629 PolarHBondContact O-N 3.08Å; C629-S631 PolarHBondContact O-N 3.14Å; C629-S631 VanDerWaalsContact O-N 3.13Å; C629-Q632 WeakPolarHBondContact O-CA 3.49Å; C629-Q632 WeakPolarHBondContact O-CB 3.44Å; C629-Q632 PolarHBondContact O-N 3Å; C629-A633 PolarHBondContact O-N 3.42Å |
| 630 | F | 77.8 | Confident | 68.1 | Low | 160 Ų | 160 | 110.8 Ų | 110.8 | 70% | 0.702 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.9 | -41.3 | -177.9 | -177.4 | -95.2 | 0 | 0 | 0 | 112.9 | Q632 A633 L634 | F630-Q632 VanDerWaalsContact C-N 3.3Å; F630-Q632 PolarHBondContact O-N 3.17Å; F630-A633 PolarHBondContact O-N 3.31Å; F630-L634 HydrophobicContact CE1-CD2 4.24Å; F630-L634 WeakPolarHBondContact O-CB 3.36Å; F630-L634 PolarHBondContact O-N 3Å |
| 631 | S | 86.3 | Confident | 69.8 | Low | 81 Ų | 81 | 109 Ų | 109 | 57% | 0.566 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.4 | -37.9 | 176.3 | -45.4 | 0 | 0 | 0 | 0 | 113 | C629 V635 | C629-S631 PolarHBondContact O-N 3.14Å; C629-S631 VanDerWaalsContact O-N 3.13Å; S631-V635 WeakPolarHBondContact O-CB 3.4Å; S631-V635 WeakPolarHBondContact O-CG2 3.29Å; S631-V635 PolarHBondContact O-N 3.46Å; S631-V635 VanDerWaalsContact O-N 3.13Å |
| 632 | Q | 81.8 | Confident | 70.8 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 43% | 0.425 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.4 | -45.9 | 177.9 | -173.9 | 64 | 41.6 | 0 | 0 | 110.7 | V628 C629 F630 L634 V635 D636 | V628-Q632 HydrophobicContact CG1-CB 4Å; V628-Q632 HydrophobicContact CG1-CG 4.15Å; C629-Q632 WeakPolarHBondContact O-CA 3.49Å; C629-Q632 WeakPolarHBondContact O-CB 3.44Å; C629-Q632 PolarHBondContact O-N 3Å; F630-Q632 VanDerWaalsContact C-N 3.3Å; F630-Q632 PolarHBondContact O-N 3.17Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 3.01Å; Q632-V635 PolarHBondContact O-N 2.93Å; Q632-D636 VanDerWaalsContact NE2-CG 3.35Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact NE2-OD2 3.17Å; Q632-D636 PolarHBondContact O-N 2.97Å |
| 633 | A | 83 | Confident | 72 | Confident | 47 Ų | 47 | 104.1 Ų | 104.1 | 39% | 0.388 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.7 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V628 C629 F630 D636 Y637 | V628-A633 HydrophobicContact CG1-CB 3.94Å; C629-A633 PolarHBondContact O-N 3.42Å; F630-A633 PolarHBondContact O-N 3.31Å; A633-D636 PolarHBondContact O-N 2.97Å; A633-Y637 VanDerWaalsContact O-CB 3.26Å; A633-Y637 WeakPolarHBondContact O-CB 3.48Å; A633-Y637 PolarHBondContact O-N 3.27Å |
| 634 | L | 87.1 | Confident | 72.7 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.5 | -40.1 | 176.2 | -176.4 | 62.4 | 0 | 0 | 0 | 112.6 | F630 Q632 T638 | F630-L634 HydrophobicContact CE1-CD2 4.24Å; F630-L634 WeakPolarHBondContact O-CB 3.36Å; F630-L634 PolarHBondContact O-N 3Å; Q632-L634 VanDerWaalsContact C-N 3.3Å; Q632-L634 PolarHBondContact O-N 3.01Å; L634-T638 WeakPolarHBondContact O-CB 3.19Å; L634-T638 WeakPolarHBondContact O-CG2 3.45Å; L634-T638 PolarHBondContact O-N 3.28Å; L634-T638 PolarHBondContact O-OG1 2.92Å |
| 635 | V | 86.9 | Confident | 73.2 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 41% | 0.406 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 175.3 | 161.7 | 0 | 0 | 0 | 0 | 111.6 | S631 Q632 T638 K639 | S631-V635 WeakPolarHBondContact O-CB 3.4Å; S631-V635 WeakPolarHBondContact O-CG2 3.29Å; S631-V635 PolarHBondContact O-N 3.46Å; S631-V635 VanDerWaalsContact O-N 3.13Å; Q632-V635 PolarHBondContact O-N 2.93Å; V635-T638 WeakPolarHBondContact CA-OG1 3.48Å; V635-T638 PolarHBondContact O-OG1 3.23Å; V635-K639 VanDerWaalsContact CG1-CE 3.47Å; V635-K639 VanDerWaalsContact O-CG 3.27Å; V635-K639 WeakPolarHBondContact O-CG 3.5Å; V635-K639 PolarHBondContact O-N 3.49Å |
| 636 | D | 80.1 | Confident | 73.4 | Confident | 50 Ų | 50 | 103.7 Ų | 103.7 | 27% | 0.267 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.2 | -37 | 178.2 | -65.6 | -30.4 | 0 | 0 | 0 | 112.1 | Q632 A633 T638 K639 H640 | Q632-D636 VanDerWaalsContact NE2-CG 3.35Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact NE2-OD2 3.17Å; Q632-D636 PolarHBondContact O-N 2.97Å; A633-D636 PolarHBondContact O-N 2.97Å; D636-T638 VanDerWaalsContact C-N 3.34Å; D636-T638 PolarHBondContact O-N 3.48Å; D636-K639 PolarHBondContact O-N 3.13Å; D636-K639 IonicContact OD1-NZ 2.67Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; D636-H640 PolarHBondContact O-CD2 3.15Å; D636-H640 PolarHBondContact O-N 2.74Å |
| 637 | Y | 81.3 | Confident | 73.8 | Confident | 162 Ų | 162 | 100.1 Ų | 100.1 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -56.7 | -46.4 | 169.7 | 178.6 | -97.8 | 0 | 0 | 0 | 111.9 | A633 H640 T641 | A633-Y637 VanDerWaalsContact O-CB 3.26Å; A633-Y637 WeakPolarHBondContact O-CB 3.48Å; A633-Y637 PolarHBondContact O-N 3.27Å; Y637-H640 PolarHBondContact O-N 3.12Å; Y637-T641 WeakPolarHBondContact O-CB 3.29Å; Y637-T641 PolarHBondContact O-N 3.32Å; Y637-T641 PolarHBondContact O-OG1 3.18Å |
| 638 | T | 78.1 | Confident | 73.5 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 179.2 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | L634 V635 D636 Q642 | L634-T638 WeakPolarHBondContact O-CB 3.19Å; L634-T638 WeakPolarHBondContact O-CG2 3.45Å; L634-T638 PolarHBondContact O-N 3.28Å; L634-T638 PolarHBondContact O-OG1 2.92Å; V635-T638 WeakPolarHBondContact CA-OG1 3.48Å; V635-T638 PolarHBondContact O-OG1 3.23Å; D636-T638 VanDerWaalsContact C-N 3.34Å; D636-T638 PolarHBondContact O-N 3.48Å; T638-Q642 WeakPolarHBondContact O-CG 3.48Å; T638-Q642 PolarHBondContact O-N 3.07Å |
| 639 | K | 78.5 | Confident | 72.5 | Confident | 100 Ų | 100 | 95 Ų | 95 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 169.2 | -70 | 167 | -162.2 | 163 | 0 | 112.1 | V635 D636 T641 Q642 L643 | V635-K639 VanDerWaalsContact CG1-CE 3.47Å; V635-K639 VanDerWaalsContact O-CG 3.27Å; V635-K639 WeakPolarHBondContact O-CG 3.5Å; V635-K639 PolarHBondContact O-N 3.49Å; D636-K639 PolarHBondContact O-N 3.13Å; D636-K639 IonicContact OD1-NZ 2.67Å; D636-K639 PolarHBondContact OD1-NZ 3.35Å; K639-T641 VanDerWaalsContact C-N 3.33Å; K639-T641 PolarHBondContact O-N 2.73Å; K639-Q642 PolarHBondContact O-N 2.98Å; K639-L643 WeakPolarHBondContact O-CG 2.93Å; K639-L643 PolarHBondContact O-N 3.01Å |
| 640 | H | 72 | Confident | 71.4 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 56% | 0.56 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -37.2 | -179.8 | -79.6 | -68.2 | 0 | 0 | 0 | 112.2 | D636 Y637 L643 L644 | D636-H640 PolarHBondContact O-CD2 3.15Å; D636-H640 PolarHBondContact O-N 2.74Å; Y637-H640 PolarHBondContact O-N 3.12Å; H640-L643 PolarHBondContact O-N 3.22Å; H640-L644 PolarHBondContact O-N 3.35Å |
| 641 | T | 70.8 | Confident | 70.1 | Confident | 50 Ų | 50 | 95.6 Ų | 95.6 | 31% | 0.307 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 172.7 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | Y637 K639 L643 L644 C645 | Y637-T641 WeakPolarHBondContact O-CB 3.29Å; Y637-T641 PolarHBondContact O-N 3.32Å; Y637-T641 PolarHBondContact O-OG1 3.18Å; K639-T641 VanDerWaalsContact C-N 3.33Å; K639-T641 PolarHBondContact O-N 2.73Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.84Å; T641-L644 WeakPolarHBondContact O-CB 3.47Å; T641-L644 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-SG 3.06Å |
| 642 | Q | 67.9 | Low | 68.4 | Low | 133 Ų | 133 | 98.2 Ų | 98.2 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.6 | -31.5 | 176.5 | -73.4 | 178 | 15.7 | 0 | 0 | 113.4 | T638 K639 K646 | T638-Q642 WeakPolarHBondContact O-CG 3.48Å; T638-Q642 PolarHBondContact O-N 3.07Å; K639-Q642 PolarHBondContact O-N 2.98Å; Q642-K646 WeakPolarHBondContact O-CG 3.48Å; Q642-K646 PolarHBondContact O-N 3.12Å; Q642-K646 VanDerWaalsContact O-N 3.13Å |
| 643 | L | 66.9 | Low | 66.9 | Low | 110 Ų | 110 | 101.4 Ų | 101.4 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.1 | -40.6 | 172.6 | -70.3 | 170 | 0 | 0 | 0 | 111.8 | K639 H640 T641 K646 L647 | K639-L643 WeakPolarHBondContact O-CG 2.93Å; K639-L643 PolarHBondContact O-N 3.01Å; H640-L643 PolarHBondContact O-N 3.22Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.84Å; L643-K646 PolarHBondContact O-N 3.45Å; L643-L647 PolarHBondContact O-N 2.99Å |
| 644 | L | 63.3 | Low | 65.2 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 172.9 | -84.6 | 158 | 0 | 0 | 0 | 112.2 | H640 T641 K646 L647 G648 | H640-L644 PolarHBondContact O-N 3.35Å; T641-L644 WeakPolarHBondContact O-CB 3.47Å; T641-L644 PolarHBondContact O-N 3.49Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 2.82Å; L644-L647 PolarHBondContact O-N 3.46Å; L644-G648 PolarHBondContact O-N 3.41Å |
| 645 | C | 61 | Low | 63.5 | Low | 86 Ų | 86 | 109.4 Ų | 109.4 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.5 | -39.9 | 175 | -67.5 | 0 | 0 | 0 | 0 | 112.4 | T641 G648 S649 | T641-C645 PolarHBondContact O-N 3.49Å; T641-C645 PolarHBondContact O-SG 3.06Å; C645-G648 PolarHBondContact O-N 3.4Å; C645-S649 PolarHBondContact O-N 3.14Å; C645-S649 VanDerWaalsContact O-N 3.17Å |
| 646 | K | 58.1 | Low | 61.7 | Low | 149 Ų | 149 | 117.7 Ų | 117.7 | 65% | 0.648 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.9 | -42.9 | 174.5 | -79.2 | -178.9 | 175.3 | -177.9 | 0 | 112.4 | Q642 L643 L644 G648 S649 | Q642-K646 WeakPolarHBondContact O-CG 3.48Å; Q642-K646 PolarHBondContact O-N 3.12Å; Q642-K646 VanDerWaalsContact O-N 3.13Å; L643-K646 PolarHBondContact O-N 3.45Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 2.82Å; K646-G648 VanDerWaalsContact C-N 3.33Å; K646-G648 PolarHBondContact O-N 3.39Å; K646-S649 PolarHBondContact O-N 3.29Å; K646-S649 PolarHBondContact O-OG 3.23Å |
| 647 | L | 60.8 | Low | 59.9 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.4 | -35.9 | 178.6 | -166.5 | 66.2 | 0 | 0 | 0 | 111.9 | L643 L644 E650 | L643-L647 PolarHBondContact O-N 2.99Å; L644-L647 PolarHBondContact O-N 3.46Å; L647-E650 PolarHBondContact O-N 3.24Å |
| 648 | G | 55.2 | Low | 57.9 | Low | 37 Ų | 37 | 117.5 Ų | 117.5 | 38% | 0.381 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.1 | -45.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L644 C645 K646 E650 V651 D652 | L644-G648 PolarHBondContact O-N 3.41Å; C645-G648 PolarHBondContact O-N 3.4Å; K646-G648 VanDerWaalsContact C-N 3.33Å; K646-G648 PolarHBondContact O-N 3.39Å; G648-E650 PolarHBondContact O-N 2.52Å; G648-V651 PolarHBondContact O-N 3.29Å; G648-D652 PolarHBondContact O-N 3.01Å |
| 649 | S | 51 | Low | 56.5 | Low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -8.4 | -180 | 64.2 | 0 | 0 | 0 | 0 | 115.5 | C645 K646 | C645-S649 PolarHBondContact O-N 3.14Å; C645-S649 VanDerWaalsContact O-N 3.17Å; K646-S649 PolarHBondContact O-N 3.29Å; K646-S649 PolarHBondContact O-OG 3.23Å |
| 650 | E | 50.9 | Low | 54.7 | Low | 163 Ų | 163 | 122.6 Ų | 122.6 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -8.2 | 173.3 | -162.6 | 169.8 | -180 | 0 | 0 | 112.5 | L647 G648 | L647-E650 PolarHBondContact O-N 3.24Å; G648-E650 PolarHBondContact O-N 2.52Å |
| 651 | V | 51.9 | Low | 53.4 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.2 | -20.7 | -176.5 | -179.8 | 0 | 0 | 0 | 0 | 113 | G648 D653 L654 | G648-V651 PolarHBondContact O-N 3.29Å; V651-D653 PolarHBondContact O-N 3.48Å; V651-L654 PolarHBondContact O-N 3.26Å; V651-L654 VanDerWaalsContact O-N 3.12Å |
| 652 | D | 49.2 | Very low | 52.5 | Low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -19.6 | -178.7 | -85.9 | -36.8 | 0 | 0 | 0 | 115.1 | G648 L654 | G648-D652 PolarHBondContact O-N 3.01Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 2.95Å |
| 653 | D | 50 | Low | 51.5 | Low | 157 Ų | 157 | 126.1 Ų | 126.1 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 2.7 | -179.6 | -154.6 | 35.7 | 0 | 0 | 0 | 114.1 | V651 | V651-D653 PolarHBondContact O-N 3.48Š|
| 654 | L | 48.5 | Very low | 50.9 | Low | 157 Ų | 157 | 129.1 Ų | 129.1 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | -4.4 | -178.5 | -157.9 | 58.7 | 0 | 0 | 0 | 116.7 | V651 D652 R656 | V651-L654 PolarHBondContact O-N 3.26Å; V651-L654 VanDerWaalsContact O-N 3.12Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 2.95Å; L654-R656 PolarHBondContact O-N 3.3Å |
| 655 | E | 50.9 | Low | 50.9 | Low | 149 Ų | 149 | 132.2 Ų | 132.2 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | | | trans | -93.5 | 18.7 | 177.9 | -151.1 | 167.3 | -147.4 | 0 | 0 | 114.7 | S657 | E655-S657 PolarHBondContact O-N 3.1Š|
| 656 | R | 48.4 | Very low | 51 | Low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -76.3 | 23.7 | 179.4 | -137.8 | -177.8 | -160.8 | 99.7 | 3.3 | 115.5 | L654 | L654-R656 PolarHBondContact O-N 3.3Š|
| 657 | S | 43.5 | Very low | 51.1 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | -162.1 | 91.6 | 171.1 | 63.1 | 0 | 0 | 0 | 0 | 115.3 | E655 | E655-S657 PolarHBondContact O-N 3.1Š|
| 658 | S | 38.5 | Very low | 51.3 | Low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | -164.8 | 147.2 | 141.6 | -165.7 | 0 | 0 | 0 | 0 | 111 | F660 | S658-F660 PolarHBondContact O-N 3.43Š|
| 659 | A | 48.3 | Very low | 51.5 | Low | 95 Ų | 95 | 137.3 Ų | 137.3 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -84.8 | 101.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 660 | F | 41.4 | Very low | 52.5 | Low | 176 Ų | 176 | 140.1 Ų | 140.1 | 77% | 0.772 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 143.5 | 168.1 | -86.5 | -82 | 0 | 0 | 0 | 111.3 | S658 | S658-F660 PolarHBondContact O-N 3.43Š|
| 661 | T | 45.5 | Very low | 53.2 | Low | 110 Ų | 110 | 137.1 Ų | 137.1 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | trans | -82.3 | 150.9 | -162.6 | 49.3 | 0 | 0 | 0 | 0 | 113.3 | N663 | T661-N663 PolarHBondContact O-N 3.17Š|
| 662 | S | 50.7 | Low | 54 | Low | 125 Ų | 125 | 138.4 Ų | 138.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -74 | 54.1 | 176.1 | 62.4 | 0 | 0 | 0 | 0 | 113 | | |
| 663 | N | 48.1 | Very low | 54.8 | Low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -128.2 | 58.6 | 177.6 | -86.3 | -23.3 | 0 | 0 | 0 | 110.3 | T661 E665 | T661-N663 PolarHBondContact O-N 3.17Å; N663-E665 PolarHBondContact O-N 3.16Å |
| 664 | M | 53.8 | Low | 55.9 | Low | 174 Ų | 174 | 139.8 Ų | 139.8 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -85.6 | 97.5 | 154.6 | -66.4 | -145 | 80.5 | 0 | 0 | 107.8 | A666 | M664-A666 PolarHBondContact O-N 3.4Š|
| 665 | E | 63 | Low | 57 | Low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 127.4 | 166.9 | -166 | 162.2 | -137 | 0 | 0 | 107.9 | N663 L667 | N663-E665 PolarHBondContact O-N 3.16Å; E665-L667 PolarHBondContact O-N 3.1Å |
| 666 | A | 62.2 | Low | 58 | Low | 94 Ų | 94 | 137.2 Ų | 137.2 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M664 | M664-A666 PolarHBondContact O-N 3.4Š|
| 667 | L | 61.3 | Low | 59.1 | Low | 149 Ų | 149 | 131.1 Ų | 131.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 135.4 | -179.1 | -66.4 | 177.2 | 0 | 0 | 0 | 110.3 | E665 | E665-L667 PolarHBondContact O-N 3.1Š|
| 668 | P | 64.2 | Low | 60.4 | Low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142.4 | 179.5 | 26 | -34.3 | 0 | 0 | 0 | 110.4 | I670 | P668-I670 PolarHBondContact O-N 3.15Å; P668-I670 VanDerWaalsContact O-N 3.12Å |
| 669 | T | 61 | Low | 61.5 | Low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 117.6 | -173.9 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | V671 | T669-V671 PolarHBondContact O-N 3.37Å; T669-V671 VanDerWaalsContact O-N 3.15Å |
| 670 | I | 70.9 | Confident | 61.9 | Low | 145 Ų | 145 | 139.4 Ų | 139.4 | 74% | 0.744 | 76% | 0.755 | S | S | * | * | | | trans | -68 | 113.4 | 179.5 | -60.7 | 172.8 | 0 | 0 | 0 | 108.3 | P668 T672 | P668-I670 PolarHBondContact O-N 3.15Å; P668-I670 VanDerWaalsContact O-N 3.12Å; I670-T672 HydrophobicContact CG2-CG2 4.34Å; I670-T672 PolarHBondContact O-N 2.86Å |
| 671 | V | 66.8 | Low | 62.8 | Low | 100 Ų | 100 | 139.1 Ų | 139.1 | 61% | 0.606 | 76% | 0.756 | S | S | * | * | | | trans | -83.6 | 99.6 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 108 | T669 F673 | T669-V671 PolarHBondContact O-N 3.37Å; T669-V671 VanDerWaalsContact O-N 3.15Å; V671-F673 HydrophobicContact CB-CE2 4.22Å; V671-F673 HydrophobicContact CB-CZ 4.46Å; V671-F673 HydrophobicContact CG1-CD2 4.23Å; V671-F673 HydrophobicContact CG1-CE1 4.05Å; V671-F673 HydrophobicContact CG1-CE2 3.71Å; V671-F673 HydrophobicContact CG1-CZ 3.61Å |
| 672 | T | 68.3 | Low | 63.4 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.3 | 168 | 48.5 | 0 | 0 | 0 | 0 | 109.4 | I670 | I670-T672 HydrophobicContact CG2-CG2 4.34Å; I670-T672 PolarHBondContact O-N 2.86Å |
| 673 | F | 65.9 | Low | 63.6 | Low | 172 Ų | 172 | 139.2 Ų | 139.2 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 120.6 | 169.7 | -64.3 | -86.3 | 0 | 0 | 0 | 108.6 | V671 V675 | V671-F673 HydrophobicContact CB-CE2 4.22Å; V671-F673 HydrophobicContact CB-CZ 4.46Å; V671-F673 HydrophobicContact CG1-CD2 4.23Å; V671-F673 HydrophobicContact CG1-CE1 4.05Å; V671-F673 HydrophobicContact CG1-CE2 3.71Å; V671-F673 HydrophobicContact CG1-CZ 3.61Å; F673-V675 PolarHBondContact O-N 3.19Å |
| 674 | D | 73.1 | Confident | 63.9 | Low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.6 | 172.9 | -67.5 | -40.6 | 0 | 0 | 0 | 109.8 | V676 | D674-V676 PolarHBondContact O-N 3.21Š|
| 675 | V | 72.1 | Confident | 63.9 | Low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -84.5 | 93 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | F673 D677 | F673-V675 PolarHBondContact O-N 3.19Å; V675-D677 PolarHBondContact O-N 3.34Å |
| 676 | V | 71.3 | Confident | 63.5 | Low | 113 Ų | 113 | 140.4 Ų | 140.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | -68 | 120.3 | 170.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | D674 L678 | D674-V676 PolarHBondContact O-N 3.21Å; V676-L678 PolarHBondContact O-N 3.24Å |
| 677 | D | 71.8 | Confident | 63 | Low | 112 Ų | 112 | 142.9 Ų | 142.9 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | | | trans | -78.3 | 106.3 | 175.9 | -168.3 | -0.9 | 0 | 0 | 0 | 110.6 | V675 R679 | V675-D677 PolarHBondContact O-N 3.34Å; D677-R679 PolarHBondContact O-N 3.4Å; D677-R679 VanDerWaalsContact O-N 3.15Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.18Å; D677-R679 WeakPolarHBondContact OD1-CD 3.48Å; D677-R679 WeakPolarHBondContact OD1-CG 3.45Å; D677-R679 PolarHBondContact OD1-N 3.26Å |
| 678 | L | 70.2 | Confident | 62.5 | Low | 126 Ų | 126 | 142.7 Ų | 142.7 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -76.8 | 12 | -178.8 | -70.3 | 164.8 | 0 | 0 | 0 | 113.7 | V676 N680 | V676-L678 PolarHBondContact O-N 3.24Å; L678-N680 VanDerWaalsContact C-N 3.33Å; L678-N680 PolarHBondContact O-N 3.22Å |
| 679 | R | 60.8 | Low | 61.4 | Low | 224 Ų | 224 | 144.9 Ų | 144.9 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -79.5 | -3.4 | -176.6 | -74.8 | 173.3 | 171.6 | -117.3 | -4.9 | 115.7 | D677 | D677-R679 PolarHBondContact O-N 3.4Å; D677-R679 VanDerWaalsContact O-N 3.15Å; D677-R679 VanDerWaalsContact OD1-CB 3.29Å; D677-R679 WeakPolarHBondContact OD1-CB 3.18Å; D677-R679 WeakPolarHBondContact OD1-CD 3.48Å; D677-R679 WeakPolarHBondContact OD1-CG 3.45Å; D677-R679 PolarHBondContact OD1-N 3.26Å |
| 680 | N | 58.4 | Low | 60.7 | Low | 127 Ų | 127 | 145.9 Ų | 145.9 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -101.6 | 2.9 | -177.3 | -149.6 | 98.6 | 0 | 0 | 0 | 114.5 | L678 G682 | L678-N680 VanDerWaalsContact C-N 3.33Å; L678-N680 PolarHBondContact O-N 3.22Å; N680-G682 PolarHBondContact O-N 3.02Å |
| 681 | E | 58.9 | Low | 59.2 | Low | 171 Ų | 171 | 146.4 Ų | 146.4 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 34.4 | -175.7 | -59.3 | -76.9 | 145.7 | 0 | 0 | 113.3 | | |
| 682 | G | 58.2 | Low | 58.4 | Low | 68 Ų | 68 | 147.8 Ų | 147.8 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | -10.5 | -161.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | N680 | N680-G682 PolarHBondContact O-N 3.02Š|
| 683 | E | 55.3 | Low | 57.3 | Low | 168 Ų | 168 | 150.4 Ų | 150.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -127 | 44.2 | -168.3 | -64.5 | -169.2 | 154.2 | 0 | 0 | 114.5 | | |
| 684 | Y | 54.7 | Low | 56.5 | Low | 188 Ų | 188 | 149.1 Ų | 149.1 | 74% | 0.737 | 75% | 0.745 | S | S | * | * | | | trans | -141.2 | 26.6 | 178.9 | -81.8 | -62.8 | 0 | 0 | 0 | 116.7 | | |
| 685 | D | 54.6 | Low | 55 | Low | 167 Ų | 167 | 149 Ų | 149 | 89% | 0.893 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -97.8 | -7.5 | 176.6 | -96.4 | -19.8 | 0 | 0 | 0 | 114.7 | | |
| 686 | E | 53.6 | Low | 53.9 | Low | 171 Ų | 171 | 148.9 Ų | 148.9 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -102.2 | -17.1 | -170.6 | -62.7 | -162.5 | 176.8 | 0 | 0 | 115.6 | I688 | E686-I688 PolarHBondContact O-N 3.06Š|
| 687 | Q | 53 | Low | 52.7 | Low | 146 Ų | 146 | 148.1 Ų | 148.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -85.4 | 4.1 | -175.6 | -75 | 71.5 | 28.3 | 0 | 0 | 115.5 | | |
| 688 | I | 50.7 | Low | 51 | Low | 146 Ų | 146 | 148.3 Ų | 148.3 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | | | trans | -104.6 | 39.2 | 178.6 | -34.8 | -177 | 0 | 0 | 0 | 112.2 | E686 M690 | E686-I688 PolarHBondContact O-N 3.06Å; I688-M690 PolarHBondContact O-N 3.11Å; I688-M690 VanDerWaalsContact O-N 3.17Å |
| 689 | H | 40.5 | Very low | 49.8 | Very low | 156 Ų | 156 | 148 Ų | 148 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | -79.7 | 87.7 | 163.7 | -172.4 | -83.9 | 0 | 0 | 0 | 109.6 | E691 | H689-E691 PolarHBondContact O-N 3.27Š|
| 690 | M | 45.1 | Very low | 48.7 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -59.7 | 108.5 | 170.3 | -88 | 179.7 | 57.2 | 0 | 0 | 110 | I688 L692 | I688-M690 PolarHBondContact O-N 3.11Å; I688-M690 VanDerWaalsContact O-N 3.17Å; M690-L692 PolarHBondContact O-N 3.45Å |
| 691 | E | 41.3 | Very low | 47.9 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -74.3 | 90.4 | 176.4 | -162.9 | 158.4 | -129 | 0 | 0 | 109.7 | H689 E693 | H689-E691 PolarHBondContact O-N 3.27Å; E691-E693 VanDerWaalsContact C-N 3.28Å; E691-E693 HydrophobicContact CG-CG 4.22Å; E691-E693 PolarHBondContact O-N 3.19Å |
| 692 | L | 48.9 | Very low | 47.3 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | -80.4 | 73.7 | -179.9 | -171 | 74.8 | 0 | 0 | 0 | 110.6 | M690 E694 | M690-L692 PolarHBondContact O-N 3.45Å; L692-E694 HydrophobicContact CD1-CG 4.17Å; L692-E694 HydrophobicContact CD2-CG 4.36Å; L692-E694 HydrophobicContact CG-CG 4.07Å; L692-E694 PolarHBondContact O-N 3.35Å |
| 693 | E | 44.8 | Very low | 46.2 | Very low | 173 Ų | 173 | 153 Ų | 153 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | -73.4 | 73.2 | 164.8 | -62.2 | -151.9 | 128.6 | 0 | 0 | 110.3 | E691 D695 | E691-E693 VanDerWaalsContact C-N 3.28Å; E691-E693 HydrophobicContact CG-CG 4.22Å; E691-E693 PolarHBondContact O-N 3.19Å; E693-D695 PolarHBondContact O-N 3.25Å |
| 694 | E | 50.5 | Low | 45.9 | Very low | 145 Ų | 145 | 153.3 Ų | 153.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -69.3 | 109.6 | 165.7 | -91.5 | -169.4 | 142.2 | 0 | 0 | 109.7 | L692 V696 | L692-E694 HydrophobicContact CD1-CG 4.17Å; L692-E694 HydrophobicContact CD2-CG 4.36Å; L692-E694 HydrophobicContact CG-CG 4.07Å; L692-E694 PolarHBondContact O-N 3.35Å; E694-V696 WeakPolarHBondContact O-CG2 3.49Å; E694-V696 PolarHBondContact O-N 3.3Å |
| 695 | D | 39.9 | Very low | 45.2 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | -73.8 | 87.2 | 178.7 | -162.5 | -7.8 | 0 | 0 | 0 | 111 | E693 S697 | E693-D695 PolarHBondContact O-N 3.25Å; D695-S697 VanDerWaalsContact C-N 3.31Å; D695-S697 PolarHBondContact O-N 3.06Å |
| 696 | V | 49.2 | Very low | 44.4 | Very low | 137 Ų | 137 | 149.4 Ų | 149.4 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | | | trans | -75.2 | 70.4 | -168.7 | -164.2 | 0 | 0 | 0 | 0 | 113 | E694 | E694-V696 WeakPolarHBondContact O-CG2 3.49Å; E694-V696 PolarHBondContact O-N 3.3Å |
| 697 | S | 46.5 | Very low | 44.2 | Very low | 98 Ų | 98 | 152.6 Ų | 152.6 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | trans | -144.3 | 65.6 | 178.6 | 64.3 | 0 | 0 | 0 | 0 | 116.5 | D695 | D695-S697 VanDerWaalsContact C-N 3.31Å; D695-S697 PolarHBondContact O-N 3.06Å |
| 698 | S | 35.7 | Very low | 44.2 | Very low | 115 Ų | 115 | 153.8 Ų | 153.8 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -145.1 | 141.6 | 165.4 | -171 | 0 | 0 | 0 | 0 | 111.9 | | |
| 699 | P | 45.4 | Very low | 43.7 | Very low | 120 Ų | 120 | 154.5 Ų | 154.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -87.4 | 145.9 | -157.1 | 32.6 | -36.5 | 0 | 0 | 0 | 116.7 | Q701 | P699-Q701 PolarHBondContact O-N 2.78Š|
| 700 | Y | 38.3 | Very low | 43.8 | Very low | 208 Ų | 208 | 155 Ų | 155 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | trans | -41.6 | 120.6 | 164.6 | -158.8 | -96.4 | 0 | 0 | 0 | 113.8 | E702 | Y700-E702 HydrophobicContact CD1-CB 4.49Å; Y700-E702 HydrophobicContact CE1-CB 4.2Å |
| 701 | Q | 41.4 | Very low | 44 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -118.7 | 112.1 | 164.4 | -178.6 | 63.7 | 64.2 | 0 | 0 | 108.9 | P699 | P699-Q701 PolarHBondContact O-N 2.78Š|
| 702 | E | 46.7 | Very low | 44.5 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | trans | -73.4 | 136.9 | -177 | -175.4 | 172.1 | -126.9 | 0 | 0 | 111.5 | Y700 | Y700-E702 HydrophobicContact CD1-CB 4.49Å; Y700-E702 HydrophobicContact CE1-CB 4.2Å |
| 703 | F | 34.7 | Very low | 44.3 | Very low | 183 Ų | 183 | 155.3 Ų | 155.3 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | | | trans | -151.7 | 68.9 | 165.7 | -131.8 | -75.8 | 0 | 0 | 0 | 111.8 | E705 | F703-E705 PolarHBondContact O-N 2.94Š|
| 704 | E | 48.3 | Very low | 44.6 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -70.7 | 105.2 | 159.3 | -73.9 | -160 | 151 | 0 | 0 | 109.5 | | |
| 705 | E | 39.3 | Very low | 44.6 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -156.5 | 135.7 | 151.4 | -123.9 | 172.4 | -160.8 | 0 | 0 | 114.3 | F703 | F703-E705 PolarHBondContact O-N 2.94Š|
| 706 | S | 39.2 | Very low | 45 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | 68.1 | 39.8 | 158.3 | -143.8 | 0 | 0 | 0 | 0 | 120.5 | L708 | S706-L708 VanDerWaalsContact C-N 3.31Å; S706-L708 PolarHBondContact O-N 3.47Å; S706-L708 VanDerWaalsContact O-N 3.1Å |
| 707 | Y | 48.3 | Very low | 45 | Very low | 237 Ų | 237 | 152.7 Ų | 152.7 | 93% | 0.929 | 79% | 0.791 | S | S | * | * | | | trans | -73.2 | 88.2 | 146.6 | -104 | -88.9 | 0 | 0 | 0 | 109.4 | | |
| 708 | L | 52.8 | Low | 45.1 | Very low | 171 Ų | 171 | 159 Ų | 159 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | 159.8 | 73.6 | 151.3 | -88.5 | 164.5 | 0 | 0 | 0 | 112.4 | S706 | S706-L708 VanDerWaalsContact C-N 3.31Å; S706-L708 PolarHBondContact O-N 3.47Å; S706-L708 VanDerWaalsContact O-N 3.1Å |
| 709 | Q | 41.2 | Very low | 45.8 | Very low | 161 Ų | 161 | 162.1 Ų | 162.1 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -140.2 | 88.6 | 160.8 | -165.6 | 160.8 | -79.1 | 0 | 0 | 115.4 | | |
| 710 | K | 42.8 | Very low | 46 | Very low | 167 Ų | 167 | 163.2 Ų | 163.2 | 73% | 0.726 | 80% | 0.8 | S | S | * | * | | | trans | 61.5 | 118.1 | 145.6 | -62.5 | 174.8 | 179.1 | 172.9 | 0 | 119.6 | A712 | K710-A712 HydrophobicContact CB-CB 4.11Å; K710-A712 PolarHBondContact O-N 3.05Å; K710-A712 VanDerWaalsContact O-N 3.1Å |
| 711 | D | 49.8 | Very low | 46.5 | Very low | 176 Ų | 176 | 160.1 Ų | 160.1 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | | | trans | -50.9 | 107 | 141.6 | -45.1 | -90.5 | 0 | 0 | 0 | 110 | | |
| 712 | A | 50 | Low | 46.6 | Very low | 61 Ų | 61 | 157.7 Ų | 157.7 | 50% | 0.504 | 79% | 0.789 | S | S | . | * | | | trans | -155.2 | 0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | K710 | K710-A712 HydrophobicContact CB-CB 4.11Å; K710-A712 PolarHBondContact O-N 3.05Å; K710-A712 VanDerWaalsContact O-N 3.1Å |
| 713 | F | 44.9 | Very low | 46.5 | Very low | 210 Ų | 210 | 158.2 Ų | 158.2 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -137.5 | 70.4 | -176.1 | -67.2 | -68.9 | 0 | 0 | 0 | 113.1 | | |
| 714 | A | 51.2 | Low | 47.2 | Very low | 109 Ų | 109 | 159 Ų | 159 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -137.2 | 30.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 715 | E | 51.3 | Low | 47 | Very low | 185 Ų | 185 | 158.6 Ų | 158.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -142.2 | 81.5 | -175.5 | -171.6 | 170.4 | -135.3 | 0 | 0 | 111.1 | | |
| 716 | C | 49 | Very low | 47.3 | Very low | 128 Ų | 128 | 158.3 Ų | 158.3 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -176.7 | 92.4 | 158.8 | -109.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 717 | D | 48.3 | Very low | 47.6 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | | | trans | -177 | 5.6 | 137.4 | -113.1 | -10.3 | 0 | 0 | 0 | 115.3 | Q719 | D717-Q719 PolarHBondContact O-N 3.32Š|
| 718 | Y | 49.2 | Very low | 47.6 | Very low | 231 Ų | 231 | 155.7 Ų | 155.7 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 28.5 | 176.4 | -81.6 | -81 | 0 | 0 | 0 | 115.3 | | |
| 719 | Q | 49.1 | Very low | 47.5 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -2.5 | 176.7 | -74 | -169.8 | -0.8 | 0 | 0 | 115.2 | D717 | D717-Q719 PolarHBondContact O-N 3.32Š|
| 720 | M | 49.9 | Very low | 47.5 | Very low | 143 Ų | 143 | 151.5 Ų | 151.5 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -88.8 | -20.7 | -179.7 | -172.6 | 157.9 | 50.9 | 0 | 0 | 114.3 | | |
| 721 | L | 48.8 | Very low | 47.3 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -87 | -39.1 | -175.5 | -77.9 | 162 | 0 | 0 | 0 | 114.2 | L723 Y724 | L721-L723 PolarHBondContact O-N 3.36Å; L721-Y724 PolarHBondContact O-N 3.08Å |
| 722 | D | 43.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -61.1 | -21.2 | -175.9 | -94 | -7.6 | 0 | 0 | 0 | 114.5 | | |
| 723 | L | 45.6 | Very low | 46.8 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | H | α-helix | trans | -84.9 | -12.3 | -176.2 | -129.9 | 74.2 | 0 | 0 | 0 | 114.4 | L721 | L721-L723 PolarHBondContact O-N 3.36Å |
| 724 | Y | 47.8 | Very low | 46.3 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -100 | -35.8 | -175.7 | -135.8 | -93.9 | 0 | 0 | 0 | 113.8 | L721 Q726 | L721-Y724 PolarHBondContact O-N 3.08Å; Y724-Q726 PolarHBondContact O-N 3.32Å |
| 725 | E | 45.5 | Very low | 45.6 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -70.3 | -30.5 | 179.7 | -65 | -148.5 | 134.7 | 0 | 0 | 113.4 | N727 L728 | E725-N727 PolarHBondContact O-N 3.3Å; E725-L728 PolarHBondContact O-N 2.62Å |
| 726 | Q | 44.6 | Very low | 45 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -12.4 | -178.2 | -71.5 | -165.3 | 2.8 | 0 | 0 | 115 | Y724 | Y724-Q726 PolarHBondContact O-N 3.32Š|
| 727 | N | 46.3 | Very low | 44.5 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -6.9 | -178.4 | -81.5 | -74.2 | 0 | 0 | 0 | 115.2 | E725 | E725-N727 PolarHBondContact O-N 3.3Š|
| 728 | L | 48.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 151.5 Ų | 151.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -94.5 | 0.7 | -175.1 | -126.1 | 70.9 | 0 | 0 | 0 | 115.4 | E725 | E725-L728 PolarHBondContact O-N 2.62Š|
| 729 | I | 49.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -114 | 56.1 | -179 | -42.6 | -177.8 | 0 | 0 | 0 | 111.5 | | |
| 730 | S | 42.1 | Very low | 44.2 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | | | trans | -149.6 | 140.4 | 162.2 | 79.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 731 | K | 38.2 | Very low | 44 | Very low | 183 Ų | 183 | 150.6 Ų | 150.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | 66.7 | 94.9 | -179.8 | -52.2 | 151.2 | -168.4 | 162.5 | 0 | 112.8 | | |
| 732 | T | 44.9 | Very low | 43.8 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | | 57.4 | 136.4 | 67.6 | 79.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 733 | W | 44.1 | Very low | 43.7 | Very low | 248 Ų | 248 | 148.3 Ų | 148.3 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | | | trans | 86.5 | 143.9 | 179.5 | -52.3 | 14 | 0 | 0 | 0 | 113.4 | | |
| 734 | A | 35.3 | Very low | 43.6 | Very low | 85 Ų | 85 | 149 Ų | 149 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | cis | 160.8 | 162.5 | -31.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 735 | V | 36.1 | Very low | 43.2 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | 75.1 | 140.3 | 170.4 | -168 | 0 | 0 | 0 | 0 | 115.5 | | |
| 736 | A | 39.4 | Very low | 42.7 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -94.6 | 163.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 737 | S | 38.1 | Very low | 42.2 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -155.8 | 153.5 | 145.5 | 56 | 0 | 0 | 0 | 0 | 113.1 | | |
| 738 | L | 45.9 | Very low | 41.6 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -79.3 | 178.8 | -173.4 | -88.5 | 162.9 | 0 | 0 | 0 | 113.3 | | |
| 739 | P | 49.3 | Very low | 41.1 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | trans | -86 | 170 | -154.3 | 36.3 | -38 | 0 | 0 | 0 | 114.8 | | |
| 740 | R | 45.5 | Very low | 41 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | | | trans | -109.6 | 88.4 | 174.6 | -75.6 | -177.1 | -79.1 | 133.3 | -5.3 | 112.4 | | |
| 741 | H | 44.5 | Very low | 40.8 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | trans | -82.5 | 127.1 | 142.4 | -85.5 | -82.3 | 0 | 0 | 0 | 107.9 | | |
| 742 | L | 44.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -148.5 | 138.9 | 164.1 | -96.6 | 176 | 0 | 0 | 0 | 109.4 | | |
| 743 | G | 42.6 | Very low | 40.2 | Very low | 64 Ų | 64 | 144.4 Ų | 144.4 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -154.4 | 147.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 744 | L | 43.3 | Very low | 40.2 | Very low | 154 Ų | 154 | 138 Ų | 138 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | | | trans | -148.5 | 112 | 170.2 | -79.6 | 112.2 | 0 | 0 | 0 | 106.3 | | |
| 745 | T | 38.3 | Very low | 40.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | | | | 76.9 | 105.5 | 59.9 | 67.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 746 | R | 35.2 | Very low | 40.7 | Very low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | -170.8 | 124.2 | 130.4 | -99.9 | 166.3 | -172.8 | -167.5 | 1.7 | 108.1 | | |
| 747 | V | 35.3 | Very low | 40.7 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | | 63.3 | 121.9 | 86.5 | 175 | 0 | 0 | 0 | 0 | 110.6 | | |
| 748 | S | 33.1 | Very low | 40.7 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -142 | 152.8 | 37.9 | 51.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 749 | Q | 38.8 | Very low | 40.9 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -102.4 | 154.6 | 163.4 | -139.5 | 179.2 | 16.2 | 0 | 0 | 109.7 | | |
| 750 | P | 47.4 | Very low | 40.5 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | | -149.4 | 178 | 98.5 | 40.1 | -23.8 | 0 | 0 | 0 | 113.4 | | |
| 751 | T | 37.2 | Very low | 40.4 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | cis | -166.1 | 163.4 | -29.7 | 33.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 752 | S | 35.6 | Very low | 40.5 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | 74 | 144.3 | 164.1 | 82.5 | 0 | 0 | 0 | 0 | 118 | | |
| 753 | N | 33.8 | Very low | 40.3 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | cis | -154.7 | 155.4 | -20.6 | -118.4 | 4.1 | 0 | 0 | 0 | 109.8 | | |
| 754 | P | 45.9 | Very low | 40.4 | Very low | 114 Ų | 114 | 153 Ų | 153 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | | | trans | -84.3 | 153.8 | 179.5 | 34.6 | -34.6 | 0 | 0 | 0 | 112.8 | | |
| 755 | L | 39 | Very low | 40.3 | Very low | 182 Ų | 182 | 153 Ų | 153 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | trans | -126.6 | 143.4 | 166.3 | -75.3 | 177.5 | 0 | 0 | 0 | 111 | | |
| 756 | S | 40.9 | Very low | 40.6 | Very low | 112 Ų | 112 | 154 Ų | 154 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -123.1 | 137.3 | -173.7 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 757 | L | 41.5 | Very low | 40.9 | Very low | 159 Ų | 159 | 150.8 Ų | 150.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -169.7 | 108.6 | 163.3 | -95.1 | 158.6 | 0 | 0 | 0 | 103.1 | | |
| 758 | D | 36.8 | Very low | 40.9 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | cis | 51.4 | 98.4 | 45 | -160.5 | 8.2 | 0 | 0 | 0 | 114.3 | R760 | D758-R760 PolarHBondContact OD1-N 3.4Š|
| 759 | R | 51.1 | Low | 41.4 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -142.1 | 82.4 | 158.6 | -84.1 | -161.5 | 161.5 | -175.1 | -6 | 110.4 | | |
| 760 | R | 40.7 | Very low | 41.6 | Very low | 230 Ų | 230 | 152.3 Ų | 152.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -79.2 | 129.7 | 149 | -95.3 | -179.7 | 165 | 179.6 | -2.9 | 110.1 | D758 | D758-R760 PolarHBondContact OD1-N 3.4Š|
| 761 | S | 42.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -143.5 | 127.3 | 160.9 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 762 | R | 46.5 | Very low | 42.3 | Very low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | | | trans | -123.9 | 128 | 177.9 | -84.8 | 174.9 | 153.2 | 178.9 | -10.2 | 108.5 | | |
| 763 | S | 40.3 | Very low | 42.6 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | | | trans | 162.4 | 145.1 | 159.6 | 54.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 764 | L | 44.4 | Very low | 43.2 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | | | cis | -129.1 | 154.8 | 8.5 | -72.6 | 165.8 | 0 | 0 | 0 | 111 | | |
| 765 | D | 41.6 | Very low | 43 | Very low | 153 Ų | 153 | 165.1 Ų | 165.1 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | | | trans | -86.9 | 146.3 | 152.7 | -53.9 | -68.3 | 0 | 0 | 0 | 108.9 | | |
| 766 | T | 45.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 164.3 Ų | 164.3 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | | | trans | -171.9 | 111.5 | 131.9 | 42.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 767 | D | 39.9 | Very low | 43.3 | Very low | 168 Ų | 168 | 167 Ų | 167 | 90% | 0.898 | 84% | 0.841 | S | S | * | * | | | trans | -74.2 | 138.7 | 153.3 | -63.4 | -58.5 | 0 | 0 | 0 | 109.4 | | |
| 768 | S | 36.3 | Very low | 43.4 | Very low | 105 Ų | 105 | 167.4 Ų | 167.4 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | | | trans | 177.8 | 111.9 | 139.8 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 769 | L | 44.5 | Very low | 43.8 | Very low | 156 Ų | 156 | 169.4 Ų | 169.4 | 82% | 0.817 | 85% | 0.849 | S | S | * | * | | | trans | 25 | 122.3 | 136.9 | -56.2 | 168.6 | 0 | 0 | 0 | 119.5 | | |
| 770 | E | 41.6 | Very low | 43.3 | Very low | 198 Ų | 198 | 165.1 Ų | 165.1 | 93% | 0.925 | 85% | 0.846 | S | S | * | * | | | | -157.9 | 158.4 | 115 | -110.6 | 165.5 | -162.5 | 0 | 0 | 111.6 | | |
| 771 | L | 43.6 | Very low | 43.5 | Very low | 163 Ų | 163 | 160.7 Ų | 160.7 | 85% | 0.853 | 84% | 0.844 | S | S | * | * | | | trans | -113.4 | -175.6 | -178.6 | -71.4 | 162.3 | 0 | 0 | 0 | 108.3 | | |
| 772 | P | 55.9 | Low | 43.5 | Very low | 106 Ų | 106 | 163.8 Ų | 163.8 | 69% | 0.688 | 85% | 0.846 | S | S | * | * | | | cis | -135 | -135.9 | 2.8 | 35.9 | -10.9 | 0 | 0 | 0 | 112.3 | | |
| 773 | E | 42.2 | Very low | 43.3 | Very low | 168 Ų | 168 | 158 Ų | 158 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | | | trans | 75.7 | 103 | 170 | -57.7 | -172.3 | 167.8 | 0 | 0 | 115.9 | | |
| 774 | T | 46.4 | Very low | 43.5 | Very low | 121 Ų | 121 | 161.8 Ų | 161.8 | 74% | 0.742 | 85% | 0.845 | S | S | * | * | | | | 59.5 | 96.7 | 76.6 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 775 | Y | 41.1 | Very low | 43.5 | Very low | 303 Ų | 303 | 161.8 Ų | 161.8 | 100% | 1.188 | 85% | 0.846 | S | S | * | * | | | | -154.8 | 0 | 107.4 | -113.1 | -72.3 | 0 | 0 | 0 | 111.2 | | |