| 1 | M | 39.1 | Very low | 51.6 | Low | 224 Ų | 224 | 152.8 Ų | 152.8 | 100% | 1.103 | 83% | 0.826 | S | S | * | * | | | | 0 | 96.1 | 0 | -63.4 | -177.7 | -176.2 | 0 | 0 | 105.1 | | |
| 2 | Q | 46.2 | Very low | 51.8 | Low | 166 Ų | 166 | 159 Ų | 159 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | | 72.6 | 122.6 | 101.2 | -78 | 165.6 | 14 | 0 | 0 | 110.1 | | |
| 3 | D | 44.5 | Very low | 51.8 | Low | 137 Ų | 137 | 156.2 Ų | 156.2 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | | | cis | -160.2 | 147.9 | 3.7 | -81.2 | -46.3 | 0 | 0 | 0 | 107.1 | | |
| 4 | C | 48.8 | Very low | 51.9 | Low | 126 Ų | 126 | 157.8 Ų | 157.8 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | | | trans | -82.2 | 144.2 | 158.8 | -63.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 5 | P | 63.2 | Low | 51.8 | Low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | | | trans | -104.3 | 111.7 | 147.3 | 30.5 | -24.2 | 0 | 0 | 0 | 110.1 | | |
| 6 | D | 56.3 | Low | 52 | Low | 127 Ų | 127 | 155.3 Ų | 155.3 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | | | trans | -45.9 | 130.4 | 149.6 | -85.3 | -48.5 | 0 | 0 | 0 | 111.2 | | |
| 7 | L | 52.8 | Low | 52 | Low | 180 Ų | 180 | 154.9 Ų | 154.9 | 94% | 0.942 | 82% | 0.823 | S | S | * | * | | | trans | -145.2 | 99.4 | 138.2 | -77 | -176.8 | 0 | 0 | 0 | 108.7 | | |
| 8 | L | 55.1 | Low | 52.1 | Low | 145 Ų | 145 | 153.6 Ų | 153.6 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | trans | -64.9 | -165.2 | 174.2 | -62.1 | 168.2 | 0 | 0 | 0 | 112.5 | | |
| 9 | P | 60.3 | Low | 52.1 | Low | 114 Ų | 114 | 154.6 Ų | 154.6 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | | | | -128.4 | 148.1 | -68.7 | 35.5 | -20.2 | 0 | 0 | 0 | 110.9 | | |
| 10 | A | 49.6 | Very low | 52.1 | Low | 96 Ų | 96 | 155.9 Ų | 155.9 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | -152 | 94.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 11 | R | 52.2 | Low | 51.9 | Low | 245 Ų | 245 | 152.1 Ų | 152.1 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | | 65.1 | 104.4 | 129.9 | -50.1 | -152.1 | 176.9 | -147.7 | -1.9 | 118.5 | | |
| 12 | R | 54 | Low | 52.4 | Low | 227 Ų | 227 | 149.4 Ų | 149.4 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | -42.4 | 143.6 | 146 | -60 | 173.1 | 175.6 | -117.6 | -0.3 | 111.9 | | |
| 13 | C | 50.8 | Low | 52.6 | Low | 122 Ų | 122 | 144.9 Ų | 144.9 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | 179.4 | 91.8 | 140.5 | -91.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 14 | E | 54.1 | Low | 52.9 | Low | 179 Ų | 179 | 150.4 Ų | 150.4 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | | 44.4 | 106.5 | 98.1 | -59.1 | -149.3 | 170.6 | 0 | 0 | 112.8 | | |
| 15 | D | 50.4 | Low | 52.9 | Low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | | | trans | -56.1 | 130.5 | 170.1 | -88.5 | -41.2 | 0 | 0 | 0 | 111 | L17 | D15-L17 VanDerWaalsContact O-N 3.11Å; D15-L17 PolarHBondContact O-N 2.93Å |
| 16 | P | 53.9 | Low | 52.3 | Low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -73.8 | 98 | 153 | 28.7 | -26.4 | 0 | 0 | 0 | 108.6 | | |
| 17 | L | 53.4 | Low | 51.8 | Low | 148 Ų | 148 | 146.6 Ų | 146.6 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | | | trans | -51.2 | 133.4 | 154 | -75.4 | 170.4 | 0 | 0 | 0 | 109.8 | D15 | D15-L17 VanDerWaalsContact O-N 3.11Å; D15-L17 PolarHBondContact O-N 2.93Å |
| 18 | V | 52.9 | Low | 51.9 | Low | 131 Ų | 131 | 150.1 Ų | 150.1 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 56.1 | 153.8 | 157.3 | -76.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 19 | E | 52.8 | Low | 51.6 | Low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | | | cis | -155.2 | 144.4 | 14.9 | -146.6 | 178.4 | 154.8 | 0 | 0 | 108.2 | | |
| 20 | E | 52.6 | Low | 51.1 | Low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 84% | 0.835 | S | S | * | * | | | trans | -30.7 | 133.5 | 155.3 | -166.2 | 172.8 | 166.1 | 0 | 0 | 115.4 | | |
| 21 | G | 46.9 | Very low | 50.8 | Low | 78 Ų | 78 | 152.7 Ų | 152.7 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | -154.5 | 47.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G23 | G21-G23 PolarHBondContact O-N 3.23Š|
| 22 | N | 48.6 | Very low | 50.7 | Low | 167 Ų | 167 | 145.4 Ų | 145.4 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | | | trans | -76.6 | 113.4 | 169.8 | -91.2 | -22.9 | 0 | 0 | 0 | 109.6 | | |
| 23 | G | 50.8 | Low | 50.5 | Low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | | | trans | -165.3 | 82.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G21 | G21-G23 PolarHBondContact O-N 3.23Š|
| 24 | R | 51.3 | Low | 50.2 | Low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | | | trans | 81.5 | 111 | 156.1 | -69.2 | 179.6 | 168.2 | -162.3 | -2.7 | 120.2 | | |
| 25 | A | 49.3 | Very low | 50.2 | Low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | | | | -177.4 | 154.9 | 119.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 26 | P | 50.7 | Low | 50.2 | Low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | | | cis | -136.9 | 130.7 | 25.6 | 35.5 | -14.9 | 0 | 0 | 0 | 115.6 | | |
| 27 | G | 46.3 | Very low | 49.8 | Very low | 82 Ų | 82 | 147.9 Ų | 147.9 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | | | trans | -94.9 | 101.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G29 | G27-G29 PolarHBondContact O-N 2.74Š|
| 28 | R | 54.3 | Low | 49.5 | Very low | 253 Ų | 253 | 144.4 Ų | 144.4 | 96% | 0.955 | 84% | 0.841 | S | S | * | * | | | trans | -88 | 91.7 | 165.6 | -76.2 | -168.4 | -177.6 | -143.4 | 2.3 | 109.3 | | |
| 29 | G | 48.3 | Very low | 49.4 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 85% | 0.85 | S | S | * | * | | | trans | -108.1 | 136.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G27 | G27-G29 PolarHBondContact O-N 2.74Š|
| 30 | R | 49.9 | Very low | 49 | Very low | 261 Ų | 261 | 141.2 Ų | 141.2 | 99% | 0.985 | 85% | 0.849 | S | S | * | * | | | trans | -72.8 | 155 | -176.8 | -62.1 | 169.3 | 175.8 | -107.9 | 0.3 | 112.4 | | |
| 31 | G | 43.9 | Very low | 48.6 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | | | trans | 154.2 | 98.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 32 | A | 48.6 | Very low | 48.7 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 86% | 0.855 | S | S | * | * | | | trans | 22.7 | 129.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 33 | R | 50.5 | Low | 48.5 | Very low | 253 Ų | 253 | 140.6 Ų | 140.6 | 96% | 0.955 | 85% | 0.85 | S | S | * | * | | | | 160.2 | 142.4 | 111.3 | -84.3 | 172.7 | -161.3 | -115.6 | 4.1 | 110 | | |
| 34 | G | 45.6 | Very low | 48.4 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 84% | 0.835 | 86% | 0.863 | S | S | * | * | | | trans | 160.2 | 83.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 35 | R | 53.6 | Low | 48.1 | Very low | 242 Ų | 242 | 141.1 Ų | 141.1 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | | | trans | -75.4 | 149.5 | 160.2 | -106 | -178 | 173 | -159.2 | -0.9 | 108.3 | | |
| 36 | E | 50.5 | Low | 48.2 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 94% | 0.939 | 85% | 0.854 | S | S | * | * | | | trans | 144.1 | 133.6 | 153.7 | -82.5 | 163.4 | -155 | 0 | 0 | 108 | | |
| 37 | G | 45 | Very low | 48.2 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | | | cis | -163.7 | 160.7 | 2.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 38 | G | 48.2 | Very low | 48.4 | Very low | 74 Ų | 74 | 149.9 Ų | 149.9 | 76% | 0.763 | 86% | 0.855 | S | S | * | * | | | trans | -94.9 | 163.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 39 | V | 50.4 | Low | 48.3 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 96% | 0.964 | 85% | 0.848 | S | S | * | * | | | trans | -161.7 | 133.7 | 146 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 40 | G | 44.7 | Very low | 48.3 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | | | trans | 129.8 | 121.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 41 | G | 43.2 | Very low | 48 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | | | cis | 174.3 | 137.2 | 3.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 42 | R | 49.7 | Very low | 48.1 | Very low | 260 Ų | 260 | 135.5 Ų | 135.5 | 98% | 0.981 | 85% | 0.847 | S | S | * | * | | | trans | 11.2 | 131.3 | 157.3 | -57.4 | 177.6 | -168 | -123.8 | 0.4 | 119.7 | | |
| 43 | G | 42.8 | Very low | 47.8 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | | | trans | 173.9 | 74.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G45 | G43-G45 PolarHBondContact O-N 3.11Š|
| 44 | R | 50.2 | Low | 47.8 | Very low | 264 Ų | 264 | 139.1 Ų | 139.1 | 100% | 0.996 | 85% | 0.849 | S | S | * | * | | | trans | -77.2 | 96.9 | 167 | -68 | -173.6 | -173.2 | -159.7 | 2.2 | 108.1 | | |
| 45 | G | 44.9 | Very low | 48 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 85% | 0.848 | S | S | * | * | | | trans | -100.1 | 119 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G43 | G43-G45 PolarHBondContact O-N 3.11Š|
| 46 | Q | 50.2 | Low | 47.6 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 85% | 0.846 | S | S | * | * | | | trans | -55.7 | 160 | 170.5 | -72.1 | -179.1 | -40.7 | 0 | 0 | 111.5 | | |
| 47 | P | 51.5 | Low | 47.3 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | | | | -123.4 | 122.4 | 125.7 | 28 | -17 | 0 | 0 | 0 | 110.9 | A49 | P47-A49 PolarHBondContact O-N 2.98Š|
| 48 | E | 51.5 | Low | 47.4 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | | | trans | -52.6 | 118.9 | 150.2 | -84.2 | 174.4 | 114.1 | 0 | 0 | 108.5 | | |
| 49 | A | 51.2 | Low | 47.2 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 85% | 0.852 | S | S | * | * | | | trans | -134 | 106.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P47 | P47-A49 PolarHBondContact O-N 2.98Š|
| 50 | A | 48 | Very low | 47 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | | | trans | -64.9 | 145.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 51 | G | 43.3 | Very low | 47 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | | | trans | 76.4 | 116.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 52 | G | 46.2 | Very low | 47.2 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | | | cis | 99 | 76.5 | 28.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 53 | Q | 42.3 | Very low | 46.8 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | | | trans | -163.4 | 124 | 137.9 | -152.5 | 133.2 | 25 | 0 | 0 | 110.3 | | |
| 54 | R | 50.5 | Low | 47.1 | Very low | 237 Ų | 237 | 132.3 Ų | 132.3 | 89% | 0.894 | 85% | 0.853 | S | S | * | * | | | trans | -97.9 | 131.7 | 171.5 | -63.3 | 172.7 | 178.6 | 178.8 | -0.6 | 106.7 | | |
| 55 | D | 50.2 | Low | 46.5 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | | | trans | -155.1 | 113.3 | 150.5 | -76.4 | -46.5 | 0 | 0 | 0 | 104.2 | | |
| 56 | G | 45.8 | Very low | 46.1 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | | | cis | 96.6 | 84.9 | 41.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 57 | G | 43.2 | Very low | 45.8 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 85% | 0.845 | 85% | 0.849 | S | S | * | * | | | trans | 178 | 69.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 58 | R | 47.6 | Very low | 45.5 | Very low | 261 Ų | 261 | 125.6 Ų | 125.6 | 99% | 0.985 | 86% | 0.857 | S | S | * | * | | | trans | -81.5 | 124 | 169.3 | -160 | -176 | -122.6 | -137.8 | 2.1 | 108.1 | | |
| 59 | G | 43.4 | Very low | 45.4 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | | | trans | -153.4 | 82.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 60 | A | 46.3 | Very low | 45.4 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 84% | 0.835 | 86% | 0.855 | S | S | * | * | | | trans | -89.5 | 126.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 61 | A | 44.6 | Very low | 45.2 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | | | trans | -179.2 | 140.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 62 | A | 47.1 | Very low | 45.1 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | | | trans | -62.7 | 152.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 63 | G | 42.2 | Very low | 44.8 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | | | trans | -176.9 | 96.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 64 | S | 49 | Very low | 45.1 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | | | trans | -72.5 | 143.2 | 168.4 | 57 | 0 | 0 | 0 | 0 | 111.8 | | |
| 65 | G | 36.6 | Very low | 45.1 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 79% | 0.794 | 85% | 0.847 | S | S | * | * | | | trans | 150 | 101.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 66 | G | 38.1 | Very low | 45 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 92% | 0.918 | 84% | 0.838 | S | S | * | * | | | | 82.6 | 122.3 | 91.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 67 | G | 42.8 | Very low | 45.3 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | | | cis | 174.7 | 166.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 68 | R | 44.9 | Very low | 45.6 | Very low | 251 Ų | 251 | 134.5 Ų | 134.5 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | | | trans | 152.9 | 114.1 | 161.2 | -89.6 | 172.3 | -166.6 | -143.4 | 5.4 | 106.4 | | |
| 69 | R | 49.3 | Very low | 45.6 | Very low | 240 Ų | 240 | 127.8 Ų | 127.8 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | | | cis | -157.7 | 170.2 | -3.8 | -109.7 | -168.3 | -177.7 | -179.2 | 1.5 | 106.7 | | |
| 70 | P | 51.9 | Low | 46 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | | | trans | -101.9 | 151.8 | -162.8 | 38.2 | -32.3 | 0 | 0 | 0 | 114.3 | | |
| 71 | R | 43.6 | Very low | 46.2 | Very low | 238 Ų | 238 | 128 Ų | 128 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | | | trans | -174.9 | 103.6 | 140.4 | -100.9 | 166.5 | -177.2 | -169.1 | -0 | 106.1 | | |
| 72 | A | 41 | Very low | 46.2 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | | 57.9 | 123 | 94.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 73 | A | 40.8 | Very low | 46 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | | | cis | -169.2 | 179.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 74 | L | 48.6 | Very low | 46.3 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | | | trans | 79.9 | 83.3 | 162.8 | -48.9 | 174 | 0 | 0 | 0 | 114.9 | V76 | L74-V76 VanDerWaalsContact C-N 3.29Å; L74-V76 HydrophobicContact CB-CG2 3.94Å; L74-V76 PolarHBondContact O-N 3.42Å |
| 75 | S | 51.1 | Low | 46.3 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 92% | 0.923 | 81% | 0.809 | S | S | * | * | | | trans | -50.3 | 96.6 | 143.8 | 12 | 0 | 0 | 0 | 0 | 109 | | |
| 76 | V | 48 | Very low | 46.5 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 62% | 0.624 | 81% | 0.809 | S | S | * | * | | | trans | -121.7 | 119.3 | 170.1 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | L74 L78 | L74-V76 VanDerWaalsContact C-N 3.29Å; L74-V76 HydrophobicContact CB-CG2 3.94Å; L74-V76 PolarHBondContact O-N 3.42Å; V76-L78 PolarHBondContact O-N 3.27Å |
| 77 | L | 51 | Low | 47.3 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | -10.1 | 112.2 | 170.4 | -77.4 | 77.1 | 0 | 0 | 0 | 116.6 | | |
| 78 | L | 48.9 | Very low | 47.9 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -127.1 | 116.3 | 138.9 | -89.9 | 93.8 | 0 | 0 | 0 | 108.5 | V76 A80 | V76-L78 PolarHBondContact O-N 3.27Å; L78-A80 PolarHBondContact O-N 3.24Å |
| 79 | P | 47.9 | Very low | 48.1 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.6 | 163.5 | -15.5 | 28.9 | 0 | 0 | 0 | 108.7 | A81 | P79-A81 PolarHBondContact O-N 3.26Š|
| 80 | A | 51.6 | Low | 48.3 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L78 | L78-A80 PolarHBondContact O-N 3.24Š|
| 81 | A | 50.4 | Low | 48.2 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 140.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P79 G83 | P79-A81 PolarHBondContact O-N 3.26Å; A81-G83 PolarHBondContact O-N 3.42Å |
| 82 | P | 44.7 | Very low | 48.8 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 93.5 | 178 | 29.6 | -31.8 | 0 | 0 | 0 | 109.7 | V84 | P82-V84 PolarHBondContact O-N 3.23Å; P82-V84 VanDerWaalsContact C-N 3.34Å |
| 83 | G | 44.4 | Very low | 49.5 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -70.7 | 88.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | A81 | A81-G83 PolarHBondContact O-N 3.42Š|
| 84 | V | 46.8 | Very low | 50.2 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -97 | 97.8 | 171.4 | -92.6 | 0 | 0 | 0 | 0 | 109.8 | P82 | P82-V84 PolarHBondContact O-N 3.23Å; P82-V84 VanDerWaalsContact C-N 3.34Å |
| 85 | Q | 49.5 | Very low | 50.5 | Low | 196 Ų | 196 | 122.9 Ų | 122.9 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -150.2 | 80.5 | 147.8 | -67.3 | -162.6 | -7.7 | 0 | 0 | 110.1 | | |
| 86 | H | 40.6 | Very low | 50.7 | Low | 173 Ų | 173 | 119.8 Ų | 119.8 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | | | trans | -109.9 | 114.1 | 161.3 | -125.1 | -65.8 | 0 | 0 | 0 | 107.6 | A88 | H86-A88 PolarHBondContact O-N 3.25Š|
| 87 | P | 55.1 | Low | 51.1 | Low | 131 Ų | 131 | 123 Ų | 123 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -84 | 69.1 | 178.2 | 34.5 | -32 | 0 | 0 | 0 | 109.2 | | |
| 88 | A | 56.1 | Low | 51.3 | Low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -165.4 | 61.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | H86 | H86-A88 PolarHBondContact O-N 3.25Š|
| 89 | G | 49.8 | Very low | 51.6 | Low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | | | trans | -160.4 | 29.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A91 | G89-A91 VanDerWaalsContact C-N 3.32Å; G89-A91 PolarHBondContact O-N 3.24Å |
| 90 | G | 51.7 | Low | 51.9 | Low | 90 Ų | 90 | 129.9 Ų | 129.9 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 15.7 | -172 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 91 | A | 51.3 | Low | 52 | Low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 1.3 | -171 | 0 | 0 | 0 | 0 | 0 | 116.9 | G89 | G89-A91 VanDerWaalsContact C-N 3.32Å; G89-A91 PolarHBondContact O-N 3.24Å |
| 92 | A | 55 | Low | 52.2 | Low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -119.6 | 16.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 93 | A | 55.5 | Low | 52.8 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -118.2 | 22.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 94 | A | 55.8 | Low | 53.1 | Low | 98 Ų | 98 | 139.8 Ų | 139.8 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -115.9 | 22.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 95 | R | 56.5 | Low | 53.5 | Low | 253 Ų | 253 | 139 Ų | 139 | 96% | 0.955 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -127.1 | 19.8 | 177.6 | -65.9 | -169.8 | -177.3 | -128.4 | 1.8 | 114.2 | | |
| 96 | G | 53.9 | Low | 53.7 | Low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -117.8 | -1.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 97 | Q | 56.6 | Low | 54 | Low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -110 | 14.2 | -172.5 | -69.5 | -72.5 | -19.3 | 0 | 0 | 113.8 | | |
| 98 | R | 56.5 | Low | 53.6 | Low | 247 Ų | 247 | 133.8 Ų | 133.8 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -96.1 | 11.5 | -176.9 | -115.3 | -176.4 | -173.8 | -137.8 | 2.4 | 115.2 | | |
| 99 | L | 55 | Low | 53.2 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -135 | 31.4 | -179.5 | -70.6 | 175.4 | 0 | 0 | 0 | 114 | | |
| 100 | L | 53.8 | Low | 52.7 | Low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -138.1 | 32.9 | 173.1 | -104.1 | 138.8 | 0 | 0 | 0 | 112.1 | | |
| 101 | G | 53.8 | Low | 52.6 | Low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 84% | 0.84 | S | S | * | * | | | trans | -111.8 | 8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 102 | L | 53.5 | Low | 52.4 | Low | 180 Ų | 180 | 143.1 Ų | 143.1 | 94% | 0.942 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -109 | 23.8 | -175.1 | -64.3 | -178.1 | 0 | 0 | 0 | 114.5 | | |
| 103 | A | 57.2 | Low | 51.9 | Low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 84% | 0.841 | S | S | * | * | | | trans | -145.8 | 91.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | R | 52.3 | Low | 51.5 | Low | 246 Ų | 246 | 147.1 Ų | 147.1 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | | | trans | -112 | 118.7 | 160.7 | -155.7 | 170.6 | -178.4 | 171.2 | -0.5 | 107.6 | | |
| 105 | P | 53.4 | Low | 50.8 | Low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 84% | 0.843 | S | S | * | * | | | trans | -73 | 142.3 | -175.6 | 28.4 | -32.4 | 0 | 0 | 0 | 111 | S107 | P105-S107 PolarHBondContact O-N 3.25Š|
| 106 | L | 54.9 | Low | 50.1 | Low | 178 Ų | 178 | 145.4 Ų | 145.4 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | | | trans | -56.2 | 121.8 | 169.9 | -147.8 | 91 | 0 | 0 | 0 | 109.4 | | |
| 107 | S | 46.6 | Very low | 49.5 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 79% | 0.79 | 85% | 0.85 | S | S | * | * | | | trans | -150.5 | 97.5 | 166.8 | -75.8 | 0 | 0 | 0 | 0 | 111.4 | P105 | P105-S107 PolarHBondContact O-N 3.25Š|
| 108 | A | 45.9 | Very low | 49.1 | Very low | 99 Ų | 99 | 153.6 Ų | 153.6 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | | | trans | 16.7 | 146.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 109 | A | 49 | Very low | 48.7 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 88% | 0.884 | 84% | 0.844 | S | S | * | * | | | trans | 100.2 | 96.9 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 110 | G | 38 | Very low | 48.4 | Very low | 77 Ų | 77 | 146.6 Ų | 146.6 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | | | trans | -145.7 | 105.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 111 | R | 49.3 | Very low | 48.3 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 146.4 | 173.9 | -75.8 | -174.6 | 173.7 | -131 | 2 | 110.5 | | |
| 112 | P | 47.7 | Very low | 48 | Very low | 126 Ų | 126 | 149 Ų | 149 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 122 | 169.3 | 32.7 | -27.6 | 0 | 0 | 0 | 110.8 | | |
| 113 | N | 44.2 | Very low | 48 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 122.4 | 161.7 | -84.8 | -12.5 | 0 | 0 | 0 | 108.6 | | |
| 114 | S | 47.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 131.8 | 175.1 | 51 | 0 | 0 | 0 | 0 | 111.9 | | |
| 115 | S | 41.9 | Very low | 47.1 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -148.8 | 113.8 | 150.6 | 64 | 0 | 0 | 0 | 0 | 110 | | |
| 116 | H | 41 | Very low | 46.8 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | | | trans | -60.6 | 133.2 | 173.5 | -83.2 | -83 | 0 | 0 | 0 | 112.4 | | |
| 117 | R | 42 | Very low | 46.7 | Very low | 242 Ų | 242 | 134 Ų | 134 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -158 | 126 | 133.8 | -148.7 | 174.5 | -178.4 | -165 | -1.1 | 111.2 | | |
| 118 | Q | 48.5 | Very low | 47.1 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | trans | -45.8 | 160.2 | 169.3 | -67.3 | 163.3 | -34.6 | 0 | 0 | 112.5 | | |
| 119 | E | 46.5 | Very low | 47.1 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | cis | -164.1 | 136.8 | 13.6 | -134 | 176.9 | -141.6 | 0 | 0 | 107.4 | | |
| 120 | A | 49.1 | Very low | 47.2 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | trans | -169.9 | 89.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 121 | E | 52.1 | Low | 47.2 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -68.9 | 137.4 | 165.5 | -151.3 | -166.9 | 173.3 | 0 | 0 | 108.4 | | |
| 122 | P | 48.3 | Very low | 47.7 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | | -131 | 163.1 | 122 | 36.6 | -26.1 | 0 | 0 | 0 | 111.6 | | |
| 123 | P | 51.9 | Low | 47.7 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -93.5 | 163.3 | -138.6 | 36.3 | -35.7 | 0 | 0 | 0 | 112.5 | | |
| 124 | G | 45 | Very low | 47.7 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 131.4 | 87.9 | 141.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 125 | G | 47.3 | Very low | 48.1 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | | 87.7 | 68.1 | 123 | 0 | 0 | 0 | 0 | 0 | 117.9 | V127 | G125-V127 PolarHBondContact O-N 3.39Š|
| 126 | A | 47.5 | Very low | 48.5 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -75.7 | 91.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R128 | A126-R128 PolarHBondContact O-N 3.38Š|
| 127 | V | 51 | Low | 49.2 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -88.9 | 100.8 | 166.2 | -175 | 0 | 0 | 0 | 0 | 107.9 | G125 A129 | G125-V127 PolarHBondContact O-N 3.39Å; V127-A129 HydrophobicContact CG1-CB 4.24Å |
| 128 | R | 55.2 | Low | 49.5 | Very low | 249 Ų | 249 | 119.9 Ų | 119.9 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | | | trans | -75.2 | 124.5 | 156.7 | -78.7 | -166.1 | 177.4 | -129.3 | 3 | 107.2 | A126 | A126-R128 PolarHBondContact O-N 3.38Š|
| 129 | A | 46.7 | Very low | 50 | Low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | | | trans | -138.8 | 91 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V127 D131 | V127-A129 HydrophobicContact CG1-CB 4.24Å; A129-D131 VanDerWaalsContact C-N 3.34Å |
| 130 | G | 50.3 | Low | 50.5 | Low | 87 Ų | 87 | 117.8 Ų | 117.8 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | | | trans | -86 | 88.2 | 135.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 131 | D | 38.8 | Very low | 50.8 | Low | 149 Ų | 149 | 119 Ų | 119 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -160.1 | 137 | 150.8 | -151.7 | 22.1 | 0 | 0 | 0 | 108.4 | A129 | A129-D131 VanDerWaalsContact C-N 3.34Š|
| 132 | P | 59.7 | Low | 50.8 | Low | 115 Ų | 115 | 116.3 Ų | 116.3 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | | | trans | -108.3 | 121.7 | -153.2 | 38 | -29.1 | 0 | 0 | 0 | 114 | | |
| 133 | A | 47.6 | Very low | 51.1 | Low | 91 Ų | 91 | 117.8 Ų | 117.8 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | 175.9 | 116.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 104.9 | | |
| 134 | T | 44.5 | Very low | 51.2 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | | | | -171.6 | 124.6 | 67.9 | -51.1 | 0 | 0 | 0 | 0 | 106 | A136 | T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.49Å |
| 135 | T | 55.6 | Low | 51.7 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | trans | -57.7 | 93 | 164.8 | -52.2 | 0 | 0 | 0 | 0 | 109 | | |
| 136 | A | 50.9 | Low | 52.2 | Low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | trans | -114.1 | 94.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | T134 | T134-A136 VanDerWaalsContact C-N 3.31Å; T134-A136 PolarHBondContact O-N 3.49Å |
| 137 | A | 55.5 | Low | 52.6 | Low | 76 Ų | 76 | 122.2 Ų | 122.2 | 63% | 0.628 | 72% | 0.721 | S | S | * | * | | | trans | -53 | 141.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R139 | A137-R139 PolarHBondContact O-N 3.39Š|
| 138 | P | 47.3 | Very low | 52.9 | Low | 97 Ų | 97 | 121.9 Ų | 121.9 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | | | trans | -60.5 | 115.1 | 178.1 | 24.2 | -31.4 | 0 | 0 | 0 | 108.5 | G140 L141 | P138-G140 PolarHBondContact O-N 3.31Å; P138-L141 HydrophobicContact CG-CD1 4.4Å |
| 139 | R | 59.6 | Low | 52.9 | Low | 257 Ų | 257 | 114.4 Ų | 114.4 | 97% | 0.97 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 50.3 | 174.1 | -71 | -177.5 | 169.5 | 170.8 | -2.9 | 111.7 | A137 | A137-R139 PolarHBondContact O-N 3.39Š|
| 140 | G | 55.8 | Low | 53.4 | Low | 40 Ų | 40 | 117.1 Ų | 117.1 | 41% | 0.412 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -144.1 | -10.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P138 | P138-G140 PolarHBondContact O-N 3.31Š|
| 141 | L | 55.6 | Low | 53.7 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -98 | -13 | -179.2 | -64.4 | 178.8 | 0 | 0 | 0 | 114.2 | P138 L144 | P138-L141 HydrophobicContact CG-CD1 4.4Å; L141-L144 HydrophobicContact CD2-CD1 4.49Å |
| 142 | C | 52.5 | Low | 54.5 | Low | 115 Ų | 115 | 119 Ų | 119 | 78% | 0.777 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -73.7 | -25.3 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 143 | L | 54.8 | Low | 54.4 | Low | 143 Ų | 143 | 120.4 Ų | 120.4 | 75% | 0.749 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -84 | -15.1 | -176.7 | -68 | 172.8 | 0 | 0 | 0 | 113.9 | P147 | L143-P147 WeakPolarHBondContact O-CD 3.36Š|
| 144 | L | 54.9 | Low | 54.8 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -89.9 | -12 | 179.9 | -64.8 | 173.5 | 0 | 0 | 0 | 113.2 | L141 | L141-L144 HydrophobicContact CD2-CD1 4.49Š|
| 145 | R | 54.8 | Low | 55.3 | Low | 199 Ų | 199 | 122.4 Ų | 122.4 | 75% | 0.751 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.1 | -20.8 | 178.5 | -116.7 | -177.6 | -177.6 | 179.4 | 0.6 | 113.7 | | |
| 146 | A | 57.7 | Low | 55.5 | Low | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -76.6 | -44.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L148 L149 Q150 | A146-L148 PolarHBondContact O-N 3.49Å; A146-L149 PolarHBondContact O-N 3.22Å; A146-Q150 WeakPolarHBondContact O-CB 3.45Å; A146-Q150 PolarHBondContact O-N 2.74Å |
| 147 | P | 56.6 | Low | 55.9 | Low | 82 Ų | 82 | 122.5 Ų | 122.5 | 53% | 0.532 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.6 | -39.5 | -176.6 | -19 | 30.9 | 0 | 0 | 0 | 112.5 | L143 L149 Q150 E151 | L143-P147 WeakPolarHBondContact O-CD 3.36Å; P147-L149 PolarHBondContact O-N 3.47Å; P147-Q150 PolarHBondContact O-N 3.17Å; P147-E151 PolarHBondContact O-N 3Å |
| 148 | L | 56.4 | Low | 56.1 | Low | 120 Ų | 120 | 123.9 Ų | 123.9 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.9 | -25.7 | -173.3 | -157.7 | 139.8 | 0 | 0 | 0 | 113 | A146 | A146-L148 PolarHBondContact O-N 3.49Å |
| 149 | L | 56.4 | Low | 56.7 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 48% | 0.482 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -84.5 | -26.8 | 172.7 | -70.8 | 176 | 0 | 0 | 0 | 112.7 | A146 P147 M152 Q153 | A146-L149 PolarHBondContact O-N 3.22Å; P147-L149 PolarHBondContact O-N 3.47Å; L149-M152 PolarHBondContact O-N 3.31Å; L149-Q153 PolarHBondContact O-N 2.87Å |
| 150 | Q | 56.7 | Low | 56.9 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.8 | -41.3 | 177.7 | -165.8 | 141.7 | 6.3 | 0 | 0 | 111.4 | A146 P147 M152 Q153 E154 | A146-Q150 WeakPolarHBondContact O-CB 3.45Å; A146-Q150 PolarHBondContact O-N 2.74Å; P147-Q150 PolarHBondContact O-N 3.17Å; Q150-M152 PolarHBondContact O-N 3.25Å; Q150-M152 VanDerWaalsContact C-N 3.31Å; Q150-Q153 PolarHBondContact O-N 2.98Å; Q150-E154 PolarHBondContact O-N 3.03Å |
| 151 | E | 56.5 | Low | 57.1 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.8 | -36.1 | 176.3 | -167.3 | 178.6 | 171.9 | 0 | 0 | 112.6 | P147 S155 | P147-E151 PolarHBondContact O-N 3Å; E151-S155 PolarHBondContact O-OG 2.92Å |
| 152 | M | 56.1 | Low | 57 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 65% | 0.645 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.8 | -25.4 | 178 | -65.5 | -137.6 | -53.1 | 0 | 0 | 113.8 | L149 Q150 | L149-M152 PolarHBondContact O-N 3.31Å; Q150-M152 PolarHBondContact O-N 3.25Å; Q150-M152 VanDerWaalsContact C-N 3.31Å |
| 153 | Q | 57.4 | Low | 57.1 | Low | 145 Ų | 145 | 122 Ų | 122 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.3 | -32.4 | 178.6 | -80 | -178.9 | 10.7 | 0 | 0 | 113 | L149 Q150 S155 A156 | L149-Q153 PolarHBondContact O-N 2.87Å; Q150-Q153 PolarHBondContact O-N 2.98Å; Q153-S155 VanDerWaalsContact C-N 3.27Å; Q153-S155 PolarHBondContact O-N 3.28Å; Q153-A156 PolarHBondContact O-N 3.46Å |
| 154 | E | 55.2 | Low | 57.2 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69 | -29.1 | 179.9 | -165.5 | 160 | -162.7 | 0 | 0 | 112.1 | Q150 A156 | Q150-E154 PolarHBondContact O-N 3.03Å; E154-A156 PolarHBondContact O-N 3.18Å |
| 155 | S | 54.9 | Low | 57.1 | Low | 108 Ų | 108 | 120.9 Ų | 120.9 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8.9 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | E151 Q153 | E151-S155 PolarHBondContact O-OG 2.92Å; Q153-S155 VanDerWaalsContact C-N 3.27Å; Q153-S155 PolarHBondContact O-N 3.28Å |
| 156 | A | 60.6 | Low | 57.1 | Low | 77 Ų | 77 | 123.8 Ų | 123.8 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | -2.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q153 E154 P158 | Q153-A156 PolarHBondContact O-N 3.46Å; E154-A156 PolarHBondContact O-N 3.18Å; A156-P158 WeakPolarHBondContact O-CD 3.35Å |
| 157 | Q | 58.5 | Low | 57 | Low | 158 Ų | 158 | 126.2 Ų | 126.2 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 117.3 | 174.7 | -80 | -168.3 | -43.5 | 0 | 0 | 110.2 | | |
| 158 | P | 59 | Low | 56.6 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.2 | 166.2 | 27.8 | -32.1 | 0 | 0 | 0 | 108.3 | A156 S160 | A156-P158 WeakPolarHBondContact O-CD 3.35Å; P158-S160 PolarHBondContact O-N 2.93Å |
| 159 | P | 61.5 | Low | 56.4 | Low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.8 | 176.3 | 23.2 | -32.2 | 0 | 0 | 0 | 108.1 | L161 | P159-L161 PolarHBondContact O-N 3.47Š|
| 160 | S | 62.5 | Low | 56.4 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 126.9 | 173.1 | 49.6 | 0 | 0 | 0 | 0 | 107.5 | P158 C162 | P158-S160 PolarHBondContact O-N 2.93Å; S160-C162 PolarHBondContact O-N 3.38Å |
| 161 | L | 60.9 | Low | 56 | Low | 173 Ų | 173 | 124.4 Ų | 124.4 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | -69.3 | 64.1 | 167.3 | -76.5 | 165.9 | 0 | 0 | 0 | 108.9 | P159 G163 | P159-L161 PolarHBondContact O-N 3.47Å; L161-G163 PolarHBondContact O-N 3.38Å |
| 162 | C | 53.3 | Low | 55.8 | Low | 120 Ų | 120 | 123.4 Ų | 123.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 75.2 | 167 | -80.5 | 0 | 0 | 0 | 0 | 108 | S160 | S160-C162 PolarHBondContact O-N 3.38Š|
| 163 | G | 55.6 | Low | 55 | Low | 81 Ų | 81 | 124.4 Ų | 124.4 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.8 | -4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L161 | L161-G163 PolarHBondContact O-N 3.38Š|
| 164 | A | 56.8 | Low | 54.9 | Low | 78 Ų | 78 | 123.4 Ų | 123.4 | 65% | 0.645 | 82% | 0.818 | S | S | * | * | | | trans | -142.7 | 108.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 165 | L | 51.8 | Low | 54.9 | Low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | | | | -156.3 | 116.5 | 70.7 | -66.7 | 164.3 | 0 | 0 | 0 | 109 | | |
| 166 | R | 54.4 | Low | 54.9 | Low | 261 Ų | 261 | 122.8 Ų | 122.8 | 99% | 0.985 | 83% | 0.828 | S | S | * | * | | | trans | -91.9 | 106.4 | 150 | -76.2 | -173.6 | -175.4 | -124.5 | 2.4 | 106.3 | | |
| 167 | S | 55.5 | Low | 54.5 | Low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | | | trans | -147.4 | 92.4 | 168.8 | 170 | 0 | 0 | 0 | 0 | 109.4 | | |
| 168 | G | 47.9 | Very low | 54.3 | Low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | | | trans | 41 | 117 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 169 | S | 52.9 | Low | 54 | Low | 123 Ų | 123 | 124.6 Ų | 124.6 | 86% | 0.86 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 124.6 | 148.3 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 170 | P | 57.2 | Low | 53.4 | Low | 121 Ų | 121 | 124.8 Ų | 124.8 | 79% | 0.786 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 120.9 | 156.7 | 30.1 | -25.2 | 0 | 0 | 0 | 107.6 | | |
| 171 | G | 47.3 | Very low | 52.7 | Low | 77 Ų | 77 | 127.2 Ų | 127.2 | 79% | 0.794 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 172 | S | 51.8 | Low | 52.1 | Low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 88% | 0.875 | S | S | * | * | | | trans | -105 | 111.6 | 166.2 | -53 | 0 | 0 | 0 | 0 | 107.6 | | |
| 173 | G | 40.3 | Very low | 51.9 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 100% | 1.567 | 88% | 0.881 | S | S | * | * | | | trans | -80.7 | 0 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |