| 1 | K | 45.7 | Very low | 47.7 | Very low | 259 Ų | 259 | 139.8 Ų | 139.8 | 100% | 1.126 | 81% | 0.806 | S | S | * | * | | | | 0 | 92.4 | 0 | -81.8 | 175.8 | 170.2 | 175.9 | 0 | 106.5 | | |
| 2 | A | 47.2 | Very low | 47.2 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | | 81.4 | 84.5 | 99.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 3 | A | 44.4 | Very low | 47 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | cis | 100.5 | 120.2 | 48.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 4 | G | 45.8 | Very low | 46.6 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 86.3 | 149.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 5 | T | 46.8 | Very low | 46.2 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | cis | -157.9 | 146.9 | -4.6 | -55.6 | 0 | 0 | 0 | 0 | 108 | | |
| 6 | Q | 46.4 | Very low | 46.4 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -66.7 | 160 | 168.3 | -69 | 174.8 | -12.5 | 0 | 0 | 111.3 | | |
| 7 | I | 52.1 | Low | 46.8 | Very low | 163 Ų | 163 | 136 Ų | 136 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -159.5 | 129.6 | 132.5 | -94.4 | 138.6 | 0 | 0 | 0 | 108.7 | | |
| 8 | T | 41.1 | Very low | 47 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -101.1 | 141.1 | 172.5 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 9 | H | 53.5 | Low | 47.2 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -153.5 | 121.1 | 157.9 | -123.7 | -99.9 | 0 | 0 | 0 | 107.1 | | |
| 10 | S | 50.5 | Low | 47.2 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 53% | 0.531 | 79% | 0.786 | S | S | . | * | | | | 64 | 123.2 | 59 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 11 | Q | 51.1 | Low | 46.7 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | cis | -166.8 | -172.9 | 14.3 | -102.4 | 156.9 | 9.8 | 0 | 0 | 109.4 | | |
| 12 | I | 42.2 | Very low | 46.3 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | trans | 80.8 | 132.1 | 166.9 | -49.1 | 146.7 | 0 | 0 | 0 | 113.8 | | |
| 13 | G | 44 | Very low | 45.5 | Very low | 58 Ų | 58 | 134.2 Ų | 134.2 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | | | cis | 158.4 | 156.7 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 14 | E | 41.4 | Very low | 45 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | trans | 66.8 | 114 | -173.5 | -56.2 | -174.2 | 127.4 | 0 | 0 | 113.9 | | |
| 15 | V | 41.7 | Very low | 44.7 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | | | cis | 61.9 | 134.4 | 16.7 | -162 | 0 | 0 | 0 | 0 | 113.9 | | |
| 16 | V | 49.4 | Very low | 44.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 82.8 | 124.1 | 179.7 | -178 | 0 | 0 | 0 | 0 | 113.9 | | |
| 17 | T | 52.8 | Low | 43.7 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | | | cis | -166.5 | 145.6 | -11.7 | 25.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 18 | K | 50.5 | Low | 42.8 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 60.6 | 175.9 | 146.4 | -57.9 | 163.1 | -173.4 | 170.9 | 0 | 113.9 | | |
| 19 | N | 50.9 | Low | 42.5 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -155.7 | 137.5 | -11.4 | 18.3 | -32.8 | 0 | 0 | 0 | 108.2 | | |
| 20 | N | 47.4 | Very low | 41.6 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | 46.2 | 115.8 | 150.7 | -56 | -1 | 0 | 0 | 0 | 119.4 | | |
| 21 | G | 36.9 | Very low | 41.4 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -79 | 156.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 22 | T | 37 | Very low | 41 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | trans | -142.6 | 128.7 | 156.4 | 32.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 23 | F | 30.7 | Very low | 40.8 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | | 57.1 | 111.1 | 86.8 | -111.9 | -94.1 | 0 | 0 | 0 | 113.7 | | |
| 24 | L | 33.8 | Very low | 40.9 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | | | trans | 34.2 | 98.5 | 152.4 | -56.8 | 177.7 | 0 | 0 | 0 | 117.6 | | |
| 25 | H | 38.7 | Very low | 41.1 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | | | trans | -151.1 | 108.9 | 139 | -136 | -100.4 | 0 | 0 | 0 | 112.7 | T27 | H25-T27 PolarHBondContact ND1-OG1 3.3Å; H25-T27 PolarHBondContact O-N 3.41Å |
| 26 | E | 37.5 | Very low | 40.7 | Very low | 179 Ų | 179 | 154 Ų | 154 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | | | trans | -47.8 | 126 | 146.5 | 169.8 | -171.6 | 179 | 0 | 0 | 108.9 | | |
| 27 | T | 34.1 | Very low | 40.4 | Very low | 82 Ų | 82 | 157.4 Ų | 157.4 | 50% | 0.503 | 78% | 0.779 | S | S | . | * | | | trans | -178.1 | 128.5 | 141.3 | 28 | 0 | 0 | 0 | 0 | 113.3 | H25 | H25-T27 PolarHBondContact ND1-OG1 3.3Å; H25-T27 PolarHBondContact O-N 3.41Å |
| 28 | R | 33.8 | Very low | 39.5 | Very low | 215 Ų | 215 | 158 Ų | 158 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 141.5 | 131.4 | -65.5 | 173.1 | -164.5 | -151.5 | 6.5 | 121.2 | | |
| 29 | Y | 34.1 | Very low | 39 | Very low | 206 Ų | 206 | 154.3 Ų | 154.3 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | trans | 69.8 | 103.6 | 141.5 | -97.4 | -109.2 | 0 | 0 | 0 | 118 | | |
| 30 | R | 35.3 | Very low | 38.5 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | | -175.8 | 170.7 | 90.2 | -98.5 | 173.5 | -175.7 | 168.4 | 2.5 | 112.4 | | |
| 31 | N | 45.7 | Very low | 38.6 | Very low | 132 Ų | 132 | 154.6 Ų | 154.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 86.4 | 70.3 | 164.4 | -51.3 | -21.9 | 0 | 0 | 0 | 117.9 | | |
| 32 | D | 43.8 | Very low | 38.9 | Very low | 148 Ų | 148 | 156.2 Ų | 156.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | | 67.9 | 107.8 | 111.2 | -53.9 | -26.6 | 0 | 0 | 0 | 121.9 | A34 | D32-A34 PolarHBondContact O-N 3.48Š|
| 33 | R | 36.5 | Very low | 38.9 | Very low | 251 Ų | 251 | 154.6 Ų | 154.6 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | | | trans | -25.5 | 110.1 | 155.3 | -56 | 167.9 | -171.6 | 171.4 | 2.2 | 115.5 | | |
| 34 | A | 47.1 | Very low | 39.4 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -134.1 | 84.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | D32 | D32-A34 PolarHBondContact O-N 3.48Š|
| 35 | V | 45.7 | Very low | 40 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | | 54.7 | 90.5 | 101.4 | -175.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 36 | H | 32.6 | Very low | 40.2 | Very low | 188 Ų | 188 | 145.4 Ų | 145.4 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | 23.1 | 101.6 | 147.2 | -69.8 | -117.5 | 0 | 0 | 0 | 118 | | |
| 37 | K | 43.4 | Very low | 40.5 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -137.1 | 94 | 146.8 | -76.2 | -166.1 | 177.4 | 176.5 | 0 | 111.6 | S39 | K37-S39 PolarHBondContact O-N 3.44Å; K37-S39 VanDerWaalsContact O-N 3.07Å |
| 38 | A | 33.8 | Very low | 41.4 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 97.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 39 | S | 40.7 | Very low | 42.2 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -105.8 | 118.8 | -179.8 | -168.5 | 0 | 0 | 0 | 0 | 109.9 | K37 | K37-S39 PolarHBondContact O-N 3.44Å; K37-S39 VanDerWaalsContact O-N 3.07Å |
| 40 | L | 40.6 | Very low | 43 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -66.8 | 142.9 | -177.5 | -65.1 | 77.7 | 0 | 0 | 0 | 111.2 | | |
| 41 | V | 48.1 | Very low | 43.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -128.4 | 133.9 | 163.2 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 42 | P | 43.8 | Very low | 43.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -85.4 | 125.1 | -146.8 | 29.7 | -34.4 | 0 | 0 | 0 | 114.5 | A44 | P42-A44 PolarHBondContact O-N 2.82Š|
| 43 | A | 38 | Very low | 43.4 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -74 | 66.5 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 44 | A | 39.3 | Very low | 43.7 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | trans | -84.4 | 144.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P42 | P42-A44 PolarHBondContact O-N 2.82Š|
| 45 | A | 46.8 | Very low | 43.3 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | 71.7 | 28.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | I47 | A45-I47 PolarHBondContact O-N 2.88Š|
| 46 | V | 44 | Very low | 42.9 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | -80.9 | 105.1 | 145 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | P48 | V46-P48 WeakPolarHBondContact O-CD 3.36Š|
| 47 | I | 43.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | trans | -99.3 | 103.6 | 174.9 | -59.4 | 174 | 0 | 0 | 0 | 107.6 | A45 | A45-I47 PolarHBondContact O-N 2.88Š|
| 48 | P | 53.6 | Low | 42.8 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -69.7 | 132.3 | 167.9 | -10 | 27.5 | 0 | 0 | 0 | 108.2 | V46 | V46-P48 WeakPolarHBondContact O-CD 3.36Š|
| 49 | A | 50.9 | Low | 42.8 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | -54.8 | 146.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | I51 | A49-I51 PolarHBondContact O-N 2.89Š|
| 50 | P | 49 | Very low | 43 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | -65.4 | 99.6 | -175 | 26.3 | -34.4 | 0 | 0 | 0 | 110.8 | A52 | P50-A52 PolarHBondContact O-N 3.16Š|
| 51 | I | 50.2 | Low | 43.3 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -59.4 | 111.8 | 166.3 | -61.6 | 174.2 | 0 | 0 | 0 | 106.2 | A49 Y53 | A49-I51 PolarHBondContact O-N 2.89Å; I51-Y53 PolarHBondContact O-N 3.35Å |
| 52 | A | 44.6 | Very low | 42.6 | Very low | 84 Ų | 84 | 125.2 Ų | 125.2 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | trans | -57.4 | 111.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P50 I54 | P50-A52 PolarHBondContact O-N 3.16Å; A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.07Å |
| 53 | Y | 38.9 | Very low | 42.1 | Very low | 221 Ų | 221 | 126.2 Ų | 126.2 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | -62.6 | 92.8 | 177.3 | -74 | -88.8 | 0 | 0 | 0 | 109.2 | I51 K55 | I51-Y53 PolarHBondContact O-N 3.35Å; Y53-K55 PolarHBondContact O-N 3.03Å |
| 54 | I | 42.7 | Very low | 42 | Very low | 148 Ų | 148 | 126 Ų | 126 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | -59.9 | 98 | 158.9 | -61.9 | 177 | 0 | 0 | 0 | 104.8 | A52 V56 | A52-I54 VanDerWaalsContact C-N 3.29Å; A52-I54 PolarHBondContact O-N 3.07Å; I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3Å |
| 55 | K | 38.4 | Very low | 41.5 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | -64 | 89.1 | 166.3 | -79.4 | -175.3 | 175.6 | 178.8 | 0 | 106.7 | Y53 A57 | Y53-K55 PolarHBondContact O-N 3.03Å; K55-A57 PolarHBondContact O-N 2.99Å |
| 56 | V | 37 | Very low | 40.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | | | trans | -67.3 | 70.7 | 158.6 | -171.8 | 0 | 0 | 0 | 0 | 106.4 | I54 A58 | I54-V56 HydrophobicContact CG2-CG2 3.93Å; I54-V56 PolarHBondContact O-N 3Å; V56-A58 PolarHBondContact O-N 2.91Å |
| 57 | A | 40.2 | Very low | 40.1 | Very low | 71 Ų | 71 | 132 Ų | 132 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | | | trans | -58.7 | 120.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | K55 V59 | K55-A57 PolarHBondContact O-N 2.99Å; A57-V59 PolarHBondContact O-N 2.84Å |
| 58 | A | 35.7 | Very low | 39.6 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 74% | 0.744 | S | S | * | * | | | trans | -67.1 | 80.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V56 K60 | V56-A58 PolarHBondContact O-N 2.91Å; A58-K60 PolarHBondContact O-N 3.33Å |
| 59 | V | 33.7 | Very low | 38.3 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -69.2 | 90.7 | 168.3 | -178.2 | 0 | 0 | 0 | 0 | 105.9 | A57 | A57-V59 PolarHBondContact O-N 2.84Š|
| 60 | K | 43.4 | Very low | 37.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -46.7 | 131.3 | 166.8 | -74.9 | 177.3 | 174.6 | 175.6 | 0 | 107.7 | A58 L62 | A58-K60 PolarHBondContact O-N 3.33Å; K60-L62 VanDerWaalsContact C-N 3.31Å; K60-L62 PolarHBondContact O-N 3.38Å |
| 61 | P | 47.7 | Very low | 36.5 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | trans | -65.3 | 96.6 | 175.6 | 26.8 | -33.1 | 0 | 0 | 0 | 108.2 | V63 | P61-V63 PolarHBondContact O-N 2.76Š|
| 62 | L | 33.7 | Very low | 35.7 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | -75 | 81.5 | 173.2 | -114.8 | 155 | 0 | 0 | 0 | 107.2 | K60 V64 | K60-L62 VanDerWaalsContact C-N 3.31Å; K60-L62 PolarHBondContact O-N 3.38Å; L62-V64 HydrophobicContact CB-CG2 4.26Å; L62-V64 HydrophobicContact CD2-CG2 3.51Å; L62-V64 HydrophobicContact CG-CG2 4.49Å; L62-V64 PolarHBondContact O-N 2.96Å |
| 63 | V | 32.6 | Very low | 34.9 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -66 | 80.4 | 166.4 | 178.9 | 0 | 0 | 0 | 0 | 107.3 | P61 G65 | P61-V63 PolarHBondContact O-N 2.76Å; V63-G65 VanDerWaalsContact C-N 3.28Å; V63-G65 PolarHBondContact O-N 3.22Å |
| 64 | V | 35.7 | Very low | 34.5 | Very low | 94 Ų | 94 | 131 Ų | 131 | 57% | 0.57 | 75% | 0.748 | S | S | * | * | | | trans | -82 | 81.5 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 108 | L62 L66 | L62-V64 HydrophobicContact CB-CG2 4.26Å; L62-V64 HydrophobicContact CD2-CG2 3.51Å; L62-V64 HydrophobicContact CG-CG2 4.49Å; L62-V64 PolarHBondContact O-N 2.96Å; V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 HydrophobicContact CG1-CB 4.5Å; V64-L66 HydrophobicContact CG1-CD1 3.75Å; V64-L66 HydrophobicContact CG1-CG 3.81Å; V64-L66 PolarHBondContact O-N 2.83Å |
| 65 | G | 29.1 | Very low | 33.9 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -70.4 | 85.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | V63 R67 | V63-G65 VanDerWaalsContact C-N 3.28Å; V63-G65 PolarHBondContact O-N 3.22Å; G65-R67 PolarHBondContact O-N 3.18Å |
| 66 | L | 31.6 | Very low | 33.4 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | | | trans | -88.7 | 88.6 | 173.8 | -92.5 | 167.5 | 0 | 0 | 0 | 111.4 | V64 M68 | V64-L66 VanDerWaalsContact C-N 3.32Å; V64-L66 HydrophobicContact CG1-CB 4.5Å; V64-L66 HydrophobicContact CG1-CD1 3.75Å; V64-L66 HydrophobicContact CG1-CG 3.81Å; V64-L66 PolarHBondContact O-N 2.83Å; L66-M68 HydrophobicContact CD2-CE 3.93Å; L66-M68 PolarHBondContact O-N 2.78Å; L66-M68 VanDerWaalsContact O-N 3.15Å |
| 67 | R | 30.4 | Very low | 33 | Very low | 232 Ų | 232 | 131.6 Ų | 131.6 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | | | trans | -75.9 | 88.6 | 168.8 | -177.3 | -173 | -177.7 | -173.4 | 2.1 | 109.6 | G65 | G65-R67 PolarHBondContact O-N 3.18Š|
| 68 | M | 32.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | | | trans | -100.8 | 101.2 | 172.9 | -75.3 | -65.1 | -178.4 | 0 | 0 | 111.2 | L66 T70 | L66-M68 HydrophobicContact CD2-CE 3.93Å; L66-M68 PolarHBondContact O-N 2.78Å; L66-M68 VanDerWaalsContact O-N 3.15Å; M68-T70 PolarHBondContact O-N 2.72Å |
| 69 | S | 27.3 | Very low | 32 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -77 | 103.4 | 161.5 | -72.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 70 | T | 33.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | | | trans | -131.3 | 79.8 | 170.5 | 35.2 | 0 | 0 | 0 | 0 | 111.1 | M68 V72 | M68-T70 PolarHBondContact O-N 2.72Å; T70-V72 PolarHBondContact O-N 2.76Å |
| 71 | T | 28.5 | Very low | 31.2 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -59.8 | 99.5 | 152.5 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 72 | V | 33.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -118 | 102.1 | 171.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | T70 L74 | T70-V72 PolarHBondContact O-N 2.76Å; V72-L74 HydrophobicContact CG1-CB 4.46Å; V72-L74 HydrophobicContact CG1-CD1 4.23Å |
| 73 | V | 25.9 | Very low | 29.9 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | | | trans | -86.2 | 109.3 | 161.9 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 74 | L | 32.2 | Very low | 29.8 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -172.6 | 146.3 | 163.8 | -90.3 | 129.6 | 0 | 0 | 0 | 107.2 | V72 | V72-L74 HydrophobicContact CG1-CB 4.46Å; V72-L74 HydrophobicContact CG1-CD1 4.23Å |
| 75 | S | 30.2 | Very low | 29.6 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | cis | -167.8 | 144.8 | -27.4 | 46.5 | 0 | 0 | 0 | 0 | 106.2 | S77 | S75-S77 PolarHBondContact O-N 3.15Š|
| 76 | R | 27.2 | Very low | 29.6 | Very low | 253 Ų | 253 | 154.3 Ų | 154.3 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | | | trans | -47.6 | 131.5 | -177.9 | -70 | 165.9 | 161.2 | 167.6 | -7.7 | 113.3 | | |
| 77 | S | 29.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 156.2 Ų | 156.2 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | | | trans | -148.6 | 153.7 | 137.3 | -152.2 | 0 | 0 | 0 | 0 | 111.7 | S75 | S75-S77 PolarHBondContact O-N 3.15Š|
| 78 | R | 26.8 | Very low | 30 | Very low | 235 Ų | 235 | 152.1 Ų | 152.1 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -93.8 | 146.3 | -159.7 | -56.2 | 167.1 | 178.8 | 176.6 | -2.3 | 111.3 | | |
| 79 | S | 27.7 | Very low | 30 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | | -176.1 | 124.1 | 127.3 | -85 | 0 | 0 | 0 | 0 | 114.8 | | |
| 80 | V | 28.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | | | trans | 51 | 86 | 140.4 | -162.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 81 | A | 31.9 | Very low | 30.3 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -152.6 | 85.4 | 139 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 82 | R | 26.6 | Very low | 30.4 | Very low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | | | trans | -90.3 | 123.3 | 174.6 | -60.5 | -179.2 | -164.5 | 158.5 | 3.5 | 109 | | |
| 83 | H | 27.5 | Very low | 30.1 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | trans | 154.8 | 157.8 | 139.5 | -85.7 | -57.2 | 0 | 0 | 0 | 109.6 | | |
| 84 | L | 31.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 73.8 | 127.8 | -162.9 | -44.8 | 177.7 | 0 | 0 | 0 | 111.9 | | |
| 85 | F | 30.6 | Very low | 30.2 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 91% | 0.912 | 75% | 0.745 | S | S | * | * | | | trans | 68.6 | 63.1 | -175.8 | -48.1 | -71.8 | 0 | 0 | 0 | 115.7 | | |
| 86 | D | 29.5 | Very low | 30.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | | | trans | -90.2 | 166.2 | 151.6 | -167.8 | 18.5 | 0 | 0 | 0 | 109.9 | | |
| 87 | Q | 37 | Very low | 30.4 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | trans | 78.7 | 79.8 | -178.5 | -55.4 | -169.3 | -3.7 | 0 | 0 | 117.1 | | |
| 88 | D | 33.9 | Very low | 30.5 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | | 47.6 | 104.4 | 118.5 | -64.2 | -39.8 | 0 | 0 | 0 | 120.3 | | |
| 89 | C | 31.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 124 Ų | 124 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | | | trans | -143.1 | 108.2 | 140.6 | -123 | 0 | 0 | 0 | 0 | 109.1 | G91 | C89-G91 PolarHBondContact O-N 3.05Š|
| 90 | P | 33.5 | Very low | 31.3 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 60% | 0.597 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 54.5 | 175.8 | 32.5 | -34.6 | 0 | 0 | 0 | 110.4 | R239 | P90-R239 VanDerWaalsContact C-NH1 3.33Š|
| 91 | G | 34.1 | Very low | 31.4 | Very low | 26 Ų | 26 | 127 Ų | 127 | 27% | 0.268 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.7 | 0.2 | -158.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | C89 P238 R239 | C89-G91 PolarHBondContact O-N 3.05Å; G91-P238 CarbonylContact O-C 3.42Å; G91-R239 WeakPolarHBondContact O-CB 3.31Å; G91-R239 PolarHBondContact O-N 3.41Å; G91-R239 VanDerWaalsContact O-N 3.14Å |
| 92 | C | 30 | Very low | 31.4 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 57% | 0.568 | 71% | 0.707 | S | S | * | * | | | trans | -133.1 | 110.2 | 179.2 | -59.9 | 0 | 0 | 0 | 0 | 119.4 | P238 R239 | C92-P238 VanDerWaalsContact CA-CG 3.47Å; C92-P238 HydrophobicContact CB-CG 3.83Å; C92-R239 VanDerWaalsContact N-CZ 3.33Å; C92-R239 VanDerWaalsContact N-NE 3.14Å; C92-R239 PolarHBondContact O-NE 3.37Å; C92-R239 PolarHBondContact O-NH2 3.46Å |
| 93 | S | 26.6 | Very low | 31.6 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | | | trans | -123.3 | 45.9 | 171.7 | -64.2 | 0 | 0 | 0 | 0 | 115.1 | R239 | S93-R239 WeakPolarHBondContact OG-CG 3.32Å; S93-R239 PolarHBondContact OG-NE 3.29Å |
| 94 | S | 31.6 | Very low | 31.7 | Very low | 47 Ų | 47 | 123.3 Ų | 123.3 | 33% | 0.329 | 69% | 0.687 | S | S | . | * | | | trans | -159.9 | 125.1 | 163.1 | 70.9 | 0 | 0 | 0 | 0 | 108 | A236 T237 P238 | S94-A236 PolarHBondContact OG-O 3.25Å; S94-T237 VanDerWaalsContact OG-C 3.27Å; S94-T237 PolarHBondContact OG-O 3.03Å; S94-T237 VanDerWaalsContact OG-O 3.11Å; S94-P238 WeakPolarHBondContact OG-CG 3.43Å |
| 95 | V | 29.3 | Very low | 31.8 | Very low | 142 Ų | 142 | 125 Ų | 125 | 86% | 0.861 | 69% | 0.688 | S | S | * | * | | | trans | -115.5 | 103.2 | 165.9 | 174.3 | 0 | 0 | 0 | 0 | 103.6 | V97 | V95-V97 PolarHBondContact O-N 3.4Š|
| 96 | S | 31.2 | Very low | 32 | Very low | 65 Ų | 65 | 124.1 Ų | 124.1 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 128.8 | 174 | 32.6 | 0 | 0 | 0 | 0 | 109.3 | L98 A236 | S96-L98 PolarHBondContact O-N 2.81Å; S96-A236 PolarHBondContact OG-N 3.19Å |
| 97 | V | 30.7 | Very low | 32.1 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 87% | 0.873 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.2 | -174.3 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | V95 | V95-V97 PolarHBondContact O-N 3.4Š|
| 98 | L | 32 | Very low | 31.8 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -78 | 140.7 | 166.7 | -171.2 | 62.7 | 0 | 0 | 0 | 108.5 | S96 | S96-L98 PolarHBondContact O-N 2.81Š|
| 99 | G | 34.4 | Very low | 31.7 | Very low | 56 Ų | 56 | 130.2 Ų | 130.2 | 58% | 0.577 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 171.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 117 | L101 | G99-L101 PolarHBondContact O-N 3.5Š|
| 100 | D | 35.6 | Very low | 31.6 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | | | trans | -50.8 | 83 | -168.7 | -63.7 | -56.1 | 0 | 0 | 0 | 116.1 | K102 | D100-K102 PolarHBondContact O-N 2.89Š|
| 101 | L | 30.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | | | trans | -79.6 | 83.1 | 168.1 | -167.9 | 72.6 | 0 | 0 | 0 | 110.5 | G99 V103 | G99-L101 PolarHBondContact O-N 3.5Å; L101-V103 HydrophobicContact CD2-CG2 3.89Å; L101-V103 HydrophobicContact CG-CG2 3.88Å; L101-V103 PolarHBondContact O-N 3.42Å |
| 102 | K | 32.7 | Very low | 31.4 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | | | trans | -72.5 | 92.9 | 166.8 | -78 | 178.8 | 179.3 | 166.3 | 0 | 110.2 | D100 Y104 | D100-K102 PolarHBondContact O-N 2.89Å; K102-Y104 HydrophobicContact CB-CD2 4.33Å; K102-Y104 HydrophobicContact CB-CE2 3.75Å; K102-Y104 VanDerWaalsContact O-CD2 3.31Å; K102-Y104 WeakPolarHBondContact O-CD2 3.05Å; K102-Y104 PolarHBondContact O-N 3.22Å |
| 103 | V | 31.2 | Very low | 31.6 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 53% | 0.533 | 75% | 0.751 | S | S | . | * | | | trans | -78.2 | 113.3 | 167.9 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | L101 F105 | L101-V103 HydrophobicContact CD2-CG2 3.89Å; L101-V103 HydrophobicContact CG-CG2 3.88Å; L101-V103 PolarHBondContact O-N 3.42Å; V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 3.86Å; V103-F105 HydrophobicContact CG1-CE2 3.39Å; V103-F105 HydrophobicContact CG1-CZ 3.78Å |
| 104 | Y | 28.6 | Very low | 31.8 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -87.9 | 120.7 | 173 | -69.4 | -98 | 0 | 0 | 0 | 109.5 | K102 | K102-Y104 HydrophobicContact CB-CD2 4.33Å; K102-Y104 HydrophobicContact CB-CE2 3.75Å; K102-Y104 VanDerWaalsContact O-CD2 3.31Å; K102-Y104 WeakPolarHBondContact O-CD2 3.05Å; K102-Y104 PolarHBondContact O-N 3.22Å |
| 105 | F | 34 | Very low | 31.9 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | | | trans | -109.8 | 106 | 169.3 | -76.9 | -73.3 | 0 | 0 | 0 | 109.8 | V103 | V103-F105 HydrophobicContact CB-CE2 4.3Å; V103-F105 HydrophobicContact CG1-CD2 3.86Å; V103-F105 HydrophobicContact CG1-CE2 3.39Å; V103-F105 HydrophobicContact CG1-CZ 3.78Å |
| 106 | E | 33.3 | Very low | 32.1 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -92.5 | 115.9 | 175.9 | -166 | 171.9 | 164.8 | 0 | 0 | 111.8 | | |
| 107 | K | 31.6 | Very low | 32 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | | | trans | 38.5 | 82.7 | 157.8 | -157.9 | 167.2 | -170.6 | 167.5 | 0 | 118.1 | R109 | K107-R109 PolarHBondContact O-N 3.39Š|
| 108 | M | 32.1 | Very low | 32.2 | Very low | 191 Ų | 191 | 158.7 Ų | 158.7 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 119.1 | 153.6 | -74.5 | -96.4 | -78 | 0 | 0 | 111 | | |
| 109 | R | 31.9 | Very low | 32 | Very low | 228 Ų | 228 | 158.4 Ų | 158.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 141 | 167.5 | -148.2 | -176.2 | -72 | -162 | 2.2 | 108.7 | K107 | K107-R109 PolarHBondContact O-N 3.39Š|
| 110 | A | 28.8 | Very low | 31.8 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.3 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 111 | L | 31.4 | Very low | 31.6 | Very low | 174 Ų | 174 | 162.4 Ų | 162.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -108.2 | 107.6 | 151.8 | -79.7 | 173 | 0 | 0 | 0 | 108.9 | A113 | L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact O-N 3.15Å |
| 112 | K | 31.5 | Very low | 31.7 | Very low | 203 Ų | 203 | 160 Ų | 160 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -86.8 | 72.9 | 174.6 | -164.8 | 175.3 | -174.5 | 178.1 | 0 | 109.4 | | |
| 113 | A | 34.7 | Very low | 31.4 | Very low | 90 Ų | 90 | 162.6 Ų | 162.6 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 111.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | L111 | L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact O-N 3.15Å |
| 114 | S | 31.3 | Very low | 31.5 | Very low | 114 Ų | 114 | 164.8 Ų | 164.8 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | | | trans | -70.4 | 141.8 | -176 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 115 | P | 33.1 | Very low | 31.8 | Very low | 109 Ų | 109 | 164.4 Ų | 164.4 | 71% | 0.708 | 84% | 0.838 | S | S | * | * | | | trans | -118.8 | 120 | 148.4 | 31.9 | -19.5 | 0 | 0 | 0 | 112 | | |
| 116 | R | 33.3 | Very low | 31.7 | Very low | 244 Ų | 244 | 161.8 Ų | 161.8 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | | | trans | 79.1 | 136.2 | 154 | -56.2 | 173 | 178.5 | 163.1 | 0.5 | 118.1 | | |
| 117 | R | 30.3 | Very low | 31.8 | Very low | 240 Ų | 240 | 159.8 Ų | 159.8 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | | | trans | -73.5 | 154.9 | 174.8 | -56.2 | 175.2 | 174.6 | -179 | -3 | 109.5 | | |
| 118 | P | 33.2 | Very low | 31.9 | Very low | 127 Ų | 127 | 160 Ų | 160 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | | -140.2 | 168.6 | 87.6 | 37.3 | -22.5 | 0 | 0 | 0 | 116.1 | | |
| 119 | I | 27.8 | Very low | 32.3 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -61.4 | 134.6 | -177.9 | -64.9 | 141.8 | 0 | 0 | 0 | 113.7 | | |
| 120 | A | 31.4 | Very low | 32.4 | Very low | 99 Ų | 99 | 154.4 Ų | 154.4 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -159.7 | 148 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 121 | K | 30.1 | Very low | 32.7 | Very low | 205 Ų | 205 | 157.8 Ų | 157.8 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | -91.7 | 140.6 | -171.5 | -62.1 | 167.6 | 179 | 172.4 | 0 | 112.4 | | |
| 122 | A | 33.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 157.1 Ų | 157.1 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | -163.1 | 97.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 123 | F | 26.7 | Very low | 33 | Very low | 209 Ų | 209 | 157.4 Ų | 157.4 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | -83.7 | 145.2 | 157.5 | -81.7 | -99.5 | 0 | 0 | 0 | 108.5 | | |
| 124 | V | 33.6 | Very low | 32.9 | Very low | 135 Ų | 135 | 162.3 Ų | 162.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -166.3 | 130.5 | 144.1 | 130 | 0 | 0 | 0 | 0 | 112.8 | | |
| 125 | K | 35.2 | Very low | 33 | Very low | 182 Ų | 182 | 164.8 Ų | 164.8 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | | | trans | 54.8 | 91.2 | 156.6 | -66.2 | 178.2 | 177.8 | 178.2 | 0 | 121 | | |
| 126 | N | 31.9 | Very low | 33.1 | Very low | 133 Ų | 133 | 168.9 Ų | 168.9 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | | | | 8.5 | 127.4 | 116.5 | -57 | -9.7 | 0 | 0 | 0 | 118.3 | F128 | N126-F128 HydrophobicContact CB-CD2 4.45Š|
| 127 | V | 34 | Very low | 33.1 | Very low | 147 Ų | 147 | 162.9 Ų | 162.9 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | -129.2 | 98.6 | 137.5 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 128 | F | 35 | Very low | 33.3 | Very low | 174 Ų | 174 | 160.2 Ų | 160.2 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -79.6 | 127.2 | 168.7 | -94.9 | -114.7 | 0 | 0 | 0 | 109.2 | N126 | N126-F128 HydrophobicContact CB-CD2 4.45Š|
| 129 | I | 39.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 160.7 Ų | 160.7 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | -147 | 76.8 | 136.7 | -49.2 | -177.1 | 0 | 0 | 0 | 109 | Q131 | I129-Q131 HydrophobicContact CG2-CB 4.25Å; I129-Q131 HydrophobicContact CG2-CG 4.44Å |
| 130 | N | 34.1 | Very low | 34 | Very low | 162 Ų | 162 | 161.9 Ų | 161.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | | | trans | -100.6 | 93.3 | 148.5 | -98.4 | -22.5 | 0 | 0 | 0 | 105.6 | | |
| 131 | Q | 36.5 | Very low | 34.1 | Very low | 165 Ų | 165 | 162.1 Ų | 162.1 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -111.3 | 106.8 | 174.1 | -88.2 | -172.1 | -10.8 | 0 | 0 | 110.6 | I129 | I129-Q131 HydrophobicContact CG2-CB 4.25Å; I129-Q131 HydrophobicContact CG2-CG 4.44Å |
| 132 | E | 31.7 | Very low | 34.4 | Very low | 160 Ų | 160 | 158.7 Ų | 158.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -4.8 | 131 | 148.6 | -43.8 | 172.9 | 154.4 | 0 | 0 | 117 | | |
| 133 | R | 36.1 | Very low | 34.4 | Very low | 209 Ų | 209 | 160.1 Ų | 160.1 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | | | | 176 | 150.8 | 98.6 | -96.9 | 171.8 | -78.2 | -156.7 | 0.3 | 113.7 | | |
| 134 | K | 33.5 | Very low | 34.7 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | 61.9 | 109.9 | 160 | -69.3 | 175.8 | 174 | -179.7 | 0 | 118.1 | | |
| 135 | L | 33.2 | Very low | 34.6 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | | -162.8 | 63.3 | 115.1 | -105.4 | 168 | 0 | 0 | 0 | 112.2 | V137 | L135-V137 PolarHBondContact O-N 2.79Š|
| 136 | E | 33.8 | Very low | 34.4 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | | | trans | -83.9 | 98.1 | 157.4 | -79.4 | -172.3 | 118.5 | 0 | 0 | 109.7 | | |
| 137 | V | 34.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | trans | -142.4 | 97.8 | 157.3 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L135 | L135-V137 PolarHBondContact O-N 2.79Š|
| 138 | R | 35.1 | Very low | 34.7 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | | 83.4 | 101.2 | 83.7 | -133.8 | -174.9 | 69.8 | 170.3 | -0.5 | 114.2 | | |
| 139 | R | 41.4 | Very low | 34.7 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | | | trans | 73.9 | 153.9 | 157 | -38.3 | -159.8 | 172.8 | 172.2 | -2.5 | 115.2 | | |
| 140 | R | 34.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | cis | -160.2 | 128.4 | -9.3 | -125.3 | 172.6 | -179.4 | 160.4 | -5.6 | 103.5 | | |
| 141 | S | 33 | Very low | 34.8 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 30.7 | 96.1 | 84.4 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 142 | D | 35.5 | Very low | 34.8 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | 176.2 | 121.4 | 138.2 | -80.2 | -32.1 | 0 | 0 | 0 | 106.8 | | |
| 143 | T | 33 | Very low | 34.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | | 63.5 | 116.5 | 89.2 | -44.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 144 | A | 33.6 | Very low | 34.7 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | cis | -152.5 | 171.3 | 37 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 145 | L | 30.9 | Very low | 34.6 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -105 | 104.7 | 174.5 | -177.6 | 161.1 | 0 | 0 | 0 | 109 | V147 | L145-V147 HydrophobicContact CD2-CG2 4.27Š|
| 146 | V | 32.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 142 Ų | 142 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | | | trans | -156.3 | 114.3 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 105.3 | | |
| 147 | V | 31.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | cis | 62.8 | 70.5 | 45.2 | -164.6 | 0 | 0 | 0 | 0 | 114.4 | L145 | L145-V147 HydrophobicContact CD2-CG2 4.27Š|
| 148 | T | 41.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | -157 | 112.1 | 149.7 | 46.3 | 0 | 0 | 0 | 0 | 106 | | |
| 149 | V | 33.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | | 67.3 | 130.9 | 74.2 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 150 | N | 41.5 | Very low | 34.2 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | 78.7 | 139.2 | 178.9 | -57.9 | -14.6 | 0 | 0 | 0 | 116.8 | | |
| 151 | D | 34.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | cis | -166.6 | -176.3 | -21.8 | -151.5 | -20.3 | 0 | 0 | 0 | 109.4 | | |
| 152 | A | 35.5 | Very low | 34.3 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | | | trans | 79.2 | 89.9 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 153 | N | 31.4 | Very low | 34.2 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -43.5 | 134.7 | 147.9 | -68.8 | -46.9 | 0 | 0 | 0 | 111.6 | | |
| 154 | Q | 34.9 | Very low | 34.1 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 67% | 0.673 | 77% | 0.771 | S | S | * | * | | | trans | -174.4 | 132.8 | 162.6 | -108.1 | 172.9 | 87.1 | 0 | 0 | 108.4 | | |
| 155 | R | 32.3 | Very low | 34.2 | Very low | 212 Ų | 212 | 142.7 Ų | 142.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | cis | -139.8 | 133.5 | 6.8 | -78.8 | 173.4 | 178.8 | -120.8 | -7.7 | 111.4 | | |
| 156 | F | 31.1 | Very low | 34.3 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | trans | -64.2 | 144.3 | 148.4 | -88 | -110.2 | 0 | 0 | 0 | 108.7 | | |
| 157 | G | 32.5 | Very low | 34.2 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -102.2 | 33 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 158 | D | 36.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 151.2 Ų | 151.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -112.7 | 126.4 | 177.3 | -64.4 | -50.1 | 0 | 0 | 0 | 110.1 | | |
| 159 | E | 31.5 | Very low | 33.6 | Very low | 189 Ų | 189 | 150.5 Ų | 150.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | 27.5 | 104.9 | 146.2 | -168.2 | 168.4 | -153 | 0 | 0 | 118.3 | | |
| 160 | L | 37 | Very low | 33.7 | Very low | 168 Ų | 168 | 154 Ų | 154 | 88% | 0.88 | 79% | 0.794 | S | S | * | * | | | trans | -163.1 | 149 | 139 | -105 | 176.6 | 0 | 0 | 0 | 111.6 | | |
| 161 | T | 37.5 | Very low | 33 | Very low | 118 Ų | 118 | 157.7 Ų | 157.7 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | | | trans | -80.9 | 147.1 | -169.6 | 44.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 162 | E | 32.1 | Very low | 33.2 | Very low | 198 Ų | 198 | 159 Ų | 159 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | trans | 62.5 | 121 | 136.1 | -163.8 | 167 | -139.5 | 0 | 0 | 119.9 | | |
| 163 | G | 33.5 | Very low | 33 | Very low | 68 Ų | 68 | 162 Ų | 162 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | 133.4 | 79.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 164 | H | 30.8 | Very low | 33.2 | Very low | 167 Ų | 167 | 162.8 Ų | 162.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | | 56.1 | 141 | 127.4 | -107.3 | -112 | 0 | 0 | 0 | 124.5 | | |
| 165 | H | 35.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 161.4 Ų | 161.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | 95.6 | 160 | 161.7 | -59.9 | -64.3 | 0 | 0 | 0 | 120.9 | | |
| 166 | Q | 34.5 | Very low | 33.5 | Very low | 166 Ų | 166 | 159.1 Ų | 159.1 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -137.5 | 157.3 | -134.5 | -64.2 | -162.1 | -49.7 | 0 | 0 | 118.7 | | |
| 167 | E | 29.1 | Very low | 33.7 | Very low | 158 Ų | 158 | 158.4 Ų | 158.4 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | trans | 33.4 | 116.7 | 140.3 | -172.2 | -178.7 | -166 | 0 | 0 | 121.6 | | |
| 168 | W | 29.4 | Very low | 33.9 | Very low | 248 Ų | 248 | 157.9 Ų | 157.9 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -145 | 137.6 | 147.2 | -78.7 | 79.4 | 0 | 0 | 0 | 111.7 | | |
| 169 | S | 30.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 161.6 Ų | 161.6 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -121.7 | 143.8 | 176.3 | -73.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 170 | M | 35.1 | Very low | 34 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 93% | 0.931 | 80% | 0.8 | S | S | * | * | | | trans | -143.3 | 139.1 | 163.4 | -79.6 | -153.5 | -83 | 0 | 0 | 113.7 | | |
| 171 | R | 28.4 | Very low | 33.9 | Very low | 225 Ų | 225 | 157.6 Ų | 157.6 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | | | trans | -121.5 | 140.1 | 174.8 | -74.6 | 168.2 | 54.3 | 136.3 | -2.6 | 109.2 | | |
| 172 | L | 38.5 | Very low | 33.9 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | -134.9 | 131.9 | 162.9 | -81.1 | 171.7 | 0 | 0 | 0 | 111.2 | | |
| 173 | N | 30.4 | Very low | 33.9 | Very low | 135 Ų | 135 | 153.8 Ų | 153.8 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -100.2 | 144.8 | 173.2 | -97.3 | -31.6 | 0 | 0 | 0 | 108.9 | | |
| 174 | L | 36.8 | Very low | 34 | Very low | 179 Ų | 179 | 162.4 Ų | 162.4 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | | | trans | -150.5 | 145 | 152.9 | -156.9 | 61.8 | 0 | 0 | 0 | 111.8 | | |
| 175 | T | 33.2 | Very low | 34.2 | Very low | 114 Ų | 114 | 161.3 Ų | 161.3 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | | | trans | -133.6 | 156.5 | -161 | -37.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 176 | Q | 39.7 | Very low | 34.3 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | | | trans | 95.6 | 126.9 | 154.4 | -58 | -167.1 | -11.5 | 0 | 0 | 122.1 | | |
| 177 | H | 36.2 | Very low | 34.2 | Very low | 176 Ų | 176 | 164.7 Ų | 164.7 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | | | trans | 68.2 | 100.8 | 134.8 | -81 | -107.6 | 0 | 0 | 0 | 123.7 | | |
| 178 | G | 35.4 | Very low | 34.3 | Very low | 69 Ų | 69 | 160.1 Ų | 160.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | | 82.5 | 118.5 | 94.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 179 | K | 37.4 | Very low | 34.6 | Very low | 212 Ų | 212 | 155.8 Ų | 155.8 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | | | trans | 162.5 | 168.7 | 132.5 | -89.3 | 171.7 | -178 | 177 | 0 | 112.6 | | |
| 180 | T | 33 | Very low | 34.7 | Very low | 90 Ų | 90 | 156 Ų | 156 | 55% | 0.552 | 81% | 0.81 | S | S | * | * | | | trans | -138.4 | 140.4 | -166 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 181 | H | 35.3 | Very low | 34.7 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -155.6 | 165.5 | 154.9 | -97 | -68.8 | 0 | 0 | 0 | 111.7 | | |
| 182 | P | 37.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -108.7 | -173.2 | -152.8 | 42.6 | -38.6 | 0 | 0 | 0 | 117 | | |
| 183 | S | 31.2 | Very low | 34.6 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -76.3 | 158.3 | -170.5 | 41.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 184 | R | 36.4 | Very low | 34.5 | Very low | 250 Ų | 250 | 152 Ų | 152 | 94% | 0.943 | 80% | 0.798 | S | S | * | * | | | trans | -135.4 | 134 | 164.7 | -98.7 | -178.1 | 171.1 | 169.4 | -3.1 | 110.5 | | |
| 185 | T | 34.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 152.3 Ų | 152.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -82 | 144.6 | 170.4 | -48 | 0 | 0 | 0 | 0 | 110 | | |
| 186 | L | 37.4 | Very low | 34.4 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | | | trans | -122.4 | 149.7 | 166.8 | -134.9 | 152.5 | 0 | 0 | 0 | 110.1 | | |
| 187 | R | 32.1 | Very low | 34 | Very low | 231 Ų | 231 | 154.1 Ų | 154.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -121.1 | 143.6 | -159.7 | 161.8 | -161.8 | -71.1 | -108.6 | 1.6 | 109.6 | | |
| 188 | G | 32 | Very low | 33.9 | Very low | 63 Ų | 63 | 151.6 Ų | 151.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | trans | 101.9 | 124.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 189 | L | 36.5 | Very low | 34 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | 159.8 | 98.5 | 159.4 | -90 | 160.8 | 0 | 0 | 0 | 102.6 | | |
| 190 | T | 32.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | | | | 44.8 | 114 | 58.2 | 82.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 191 | D | 34.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | | | cis | -135.4 | 164.1 | 38.1 | -61.9 | -54.6 | 0 | 0 | 0 | 115.2 | | |
| 192 | Q | 31 | Very low | 33.6 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | -107.2 | 150.2 | 170 | 178.8 | -179.6 | -29.6 | 0 | 0 | 108 | | |
| 193 | E | 33 | Very low | 33.4 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | | | trans | 106.2 | 149.2 | 177.5 | -56 | -137.1 | 140.7 | 0 | 0 | 116.3 | | |
| 194 | L | 29.1 | Very low | 33.5 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | 66.2 | 117.7 | 177.2 | -39.3 | -179.2 | 0 | 0 | 0 | 113.5 | | |
| 195 | F | 32.7 | Very low | 33.8 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | | | cis | -138.5 | 127.8 | 27.3 | -74.9 | -104.4 | 0 | 0 | 0 | 112.4 | | |
| 196 | L | 34.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -90.5 | 107.3 | 143.2 | -79.6 | 169.9 | 0 | 0 | 0 | 106 | | |
| 197 | D | 32.6 | Very low | 33.8 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -178 | 94.1 | 156.9 | -97.8 | -23.6 | 0 | 0 | 0 | 112.1 | | |
| 198 | S | 34.2 | Very low | 33.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -176.8 | 85 | 141.9 | -84.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 199 | V | 37.4 | Very low | 34 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -52 | 145.3 | 151.5 | -81.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 200 | G | 31.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | 94.1 | 50.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 201 | S | 32.3 | Very low | 33.6 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | trans | -149.2 | 108.3 | 152.5 | -77.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 202 | G | 31.3 | Very low | 33.3 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | cis | 142.5 | 46.4 | 24.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | W204 | G202-W204 PolarHBondContact O-N 2.88Š|
| 203 | A | 34.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -75.4 | 72.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 204 | W | 33.2 | Very low | 33.2 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -93.9 | 134.2 | 159.9 | -72.2 | 69.2 | 0 | 0 | 0 | 108.5 | G202 L207 | G202-W204 PolarHBondContact O-N 2.88Å; W204-L207 HydrophobicContact CH2-CD1 4.36Å; W204-L207 HydrophobicContact CZ3-CD1 3.92Å; W204-L207 HydrophobicContact CZ3-CG 4.11Å |
| 205 | P | 43.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | | -124.6 | 102.8 | 128.8 | 14.5 | 4 | 0 | 0 | 0 | 109.9 | | |
| 206 | F | 33.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | 58 | 93.4 | 140.9 | -33.2 | -57.5 | 0 | 0 | 0 | 117.3 | | |
| 207 | L | 37.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -60.4 | 153.2 | 148 | -66.3 | 172.3 | 0 | 0 | 0 | 110 | W204 | W204-L207 HydrophobicContact CH2-CD1 4.36Å; W204-L207 HydrophobicContact CZ3-CD1 3.92Å; W204-L207 HydrophobicContact CZ3-CG 4.11Å |
| 208 | V | 33.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | | | trans | 65.4 | 100.9 | 166 | -162.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 209 | G | 35 | Very low | 33.3 | Very low | 75 Ų | 75 | 121.8 Ų | 121.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -153.5 | 39.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A211 | G209-A211 VanDerWaalsContact C-N 3.3Å; G209-A211 PolarHBondContact O-N 3.16Å |
| 210 | G | 28.4 | Very low | 33.2 | Very low | 78 Ų | 78 | 123 Ų | 123 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -71.5 | 78.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 211 | A | 31.3 | Very low | 33.5 | Very low | 83 Ų | 83 | 130 Ų | 130 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -92.8 | 90.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | G209 C213 | G209-A211 VanDerWaalsContact C-N 3.3Å; G209-A211 PolarHBondContact O-N 3.16Å; A211-C213 VanDerWaalsContact C-N 3.27Å; A211-C213 PolarHBondContact O-N 3.11Å |
| 212 | I | 29 | Very low | 33.4 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -73.7 | 90 | 164.8 | -56.8 | 174.3 | 0 | 0 | 0 | 106.4 | L214 | I212-L214 PolarHBondContact O-N 3.37Š|
| 213 | C | 33.5 | Very low | 33.8 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | | | trans | -65.5 | 104.3 | 171.9 | -69 | 0 | 0 | 0 | 0 | 108.9 | A211 A215 | A211-C213 VanDerWaalsContact C-N 3.27Å; A211-C213 PolarHBondContact O-N 3.11Å; C213-A215 VanDerWaalsContact C-N 3.33Å; C213-A215 PolarHBondContact O-N 3.15Å |
| 214 | L | 29.2 | Very low | 33.9 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -59.6 | 93.8 | 165.1 | -83 | 162.1 | 0 | 0 | 0 | 109.3 | I212 N216 | I212-L214 PolarHBondContact O-N 3.37Å; L214-N216 PolarHBondContact O-N 3.34Å; L214-N216 VanDerWaalsContact O-N 3.16Å |
| 215 | A | 33.5 | Very low | 34 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -83 | 65.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | C213 S217 | C213-A215 VanDerWaalsContact C-N 3.33Å; C213-A215 PolarHBondContact O-N 3.15Å; A215-S217 PolarHBondContact O-N 2.99Å |
| 216 | N | 29.6 | Very low | 33.4 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -73.8 | 106.9 | 153.7 | -90.1 | 12.8 | 0 | 0 | 0 | 106.4 | L214 | L214-N216 PolarHBondContact O-N 3.34Å; L214-N216 VanDerWaalsContact O-N 3.16Å |
| 217 | S | 36.7 | Very low | 33.5 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -150.1 | 67.9 | 171.2 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | A215 N219 | A215-S217 PolarHBondContact O-N 2.99Å; S217-N219 PolarHBondContact O-N 3.07Å |
| 218 | D | 30.3 | Very low | 33.3 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | 47.4 | 70.1 | 131.4 | -45.5 | -20.5 | 0 | 0 | 0 | 116.7 | | |
| 219 | N | 34.6 | Very low | 33.2 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | -106.1 | 69.7 | 151 | 56.9 | -0.7 | 0 | 0 | 0 | 110.5 | S217 R221 | S217-N219 PolarHBondContact O-N 3.07Å; N219-R221 PolarHBondContact O-N 2.77Å |
| 220 | E | 35.1 | Very low | 33 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -55.4 | 120 | 167.9 | -64.2 | -166.9 | 157.4 | 0 | 0 | 111.1 | | |
| 221 | R | 37.1 | Very low | 33.2 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | | -171.5 | 126.9 | 124 | -100.2 | 159 | -164.7 | -178.9 | 5 | 111.9 | N219 | N219-R221 PolarHBondContact O-N 2.77Š|
| 222 | D | 31.6 | Very low | 33.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | 60.4 | 79.6 | 153.6 | -51.9 | -30.8 | 0 | 0 | 0 | 118 | | |
| 223 | S | 38.5 | Very low | 33.1 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | trans | -142 | 80 | 151.3 | -73.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 224 | G | 36.7 | Very low | 32.9 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -71.5 | 152.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 225 | L | 35.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | 74.1 | 68.4 | 160.2 | -48.9 | 179.8 | 0 | 0 | 0 | 117.3 | | |
| 226 | L | 31.3 | Very low | 32.8 | Very low | 181 Ų | 181 | 134.8 Ų | 134.8 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | | | trans | -102.9 | 96.6 | 142.1 | -77.4 | 179.2 | 0 | 0 | 0 | 110 | | |
| 227 | T | 34.3 | Very low | 33 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -143.5 | 123.5 | 165.7 | -10.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | S | 33.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 72.5 | 135.4 | 168.5 | 77.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 229 | G | 33 | Very low | 32.7 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | | | trans | 74.1 | 92.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 230 | G | 29.9 | Very low | 32.3 | Very low | 79 Ų | 79 | 127.6 Ų | 127.6 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | | | cis | 107 | 82.1 | 33.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 231 | I | 32.5 | Very low | 32.2 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | | | trans | -123 | 106.8 | 169.8 | -61.4 | -177 | 0 | 0 | 0 | 108.7 | V233 | I231-V233 PolarHBondContact O-N 2.74Š|
| 232 | H | 30.7 | Very low | 31.9 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | | | trans | -78.2 | 115.8 | 179 | -159 | -76.3 | 0 | 0 | 0 | 109.5 | S234 | H232-S234 PolarHBondContact ND1-OG 3.2Å; H232-S234 PolarHBondContact O-N 3.14Å |
| 233 | V | 27.8 | Very low | 32.1 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | | | trans | -81.9 | 112.1 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | I231 | I231-V233 PolarHBondContact O-N 2.74Š|
| 234 | S | 30.1 | Very low | 31.7 | Very low | 83 Ų | 83 | 117.8 Ų | 117.8 | 58% | 0.58 | 73% | 0.73 | S | S | * | * | | | trans | -154.9 | 118.5 | 171.9 | -79.6 | 0 | 0 | 0 | 0 | 113.6 | H232 | H232-S234 PolarHBondContact ND1-OG 3.2Å; H232-S234 PolarHBondContact O-N 3.14Å |
| 235 | R | 29.1 | Very low | 31.6 | Very low | 210 Ų | 210 | 122.6 Ų | 122.6 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | | | trans | 56.6 | 99.9 | 153.9 | -63.8 | 176.4 | 121.6 | 106.4 | -4 | 117.6 | T237 | R235-T237 HydrophobicContact CB-CG2 4.32Š|
| 236 | A | 30.5 | Very low | 31.4 | Very low | 51 Ų | 51 | 118.7 Ų | 118.7 | 42% | 0.421 | 72% | 0.719 | S | S | . | * | | | trans | -73.3 | 123 | 139.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | S94 S96 | S94-A236 PolarHBondContact OG-O 3.25Å; S96-A236 PolarHBondContact OG-N 3.19Å |
| 237 | T | 34.9 | Very low | 31.8 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | -115.2 | 174.2 | 167.3 | 51.2 | 0 | 0 | 0 | 0 | 112 | S94 R235 | S94-T237 VanDerWaalsContact OG-C 3.27Å; S94-T237 PolarHBondContact OG-O 3.03Å; S94-T237 VanDerWaalsContact OG-O 3.11Å; R235-T237 HydrophobicContact CB-CG2 4.32Å |
| 238 | P | 30.3 | Very low | 31.8 | Very low | 51 Ų | 51 | 122.8 Ų | 122.8 | 33% | 0.331 | 71% | 0.709 | S | S | . | * | | | trans | -139.3 | -154.9 | -173.4 | 14.9 | 17.7 | 0 | 0 | 0 | 110.5 | G91 C92 S94 | G91-P238 CarbonylContact O-C 3.42Å; C92-P238 VanDerWaalsContact CA-CG 3.47Å; C92-P238 HydrophobicContact CB-CG 3.83Å; S94-P238 WeakPolarHBondContact OG-CG 3.43Å |
| 239 | R | 30.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 45% | 0.445 | 70% | 0.7 | S | S | . | * | | | cis | -141.7 | 165.8 | -1.5 | 177.6 | -167 | -85.5 | 167.3 | 5.4 | 108.1 | P90 G91 C92 S93 | P90-R239 VanDerWaalsContact C-NH1 3.33Å; G91-R239 WeakPolarHBondContact O-CB 3.31Å; G91-R239 PolarHBondContact O-N 3.41Å; G91-R239 VanDerWaalsContact O-N 3.14Å; C92-R239 VanDerWaalsContact N-CZ 3.33Å; C92-R239 VanDerWaalsContact N-NE 3.14Å; C92-R239 PolarHBondContact O-NE 3.37Å; C92-R239 PolarHBondContact O-NH2 3.46Å; S93-R239 WeakPolarHBondContact OG-CG 3.32Å; S93-R239 PolarHBondContact OG-NE 3.29Å |
| 240 | C | 26.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 72% | 0.723 | 70% | 0.695 | S | S | * | * | | | trans | -62.1 | 147.4 | 164.3 | -47.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 241 | A | 31.3 | Very low | 32.8 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | | | trans | 82.4 | 89 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 242 | A | 32.5 | Very low | 33.2 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | -160.3 | 113.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 243 | A | 34.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | | | | 95.3 | 129.3 | 82.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 244 | E | 31.6 | Very low | 33.7 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 70% | 0.695 | S | S | * | * | | | trans | -73.4 | 127.9 | -174.7 | -57.8 | 155.7 | 110.7 | 0 | 0 | 111.5 | | |
| 245 | H | 34.6 | Very low | 34.2 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | | | trans | -153 | 124.6 | 139.3 | -125 | 60.1 | 0 | 0 | 0 | 116.3 | | |
| 246 | S | 30.7 | Very low | 34.6 | Very low | 79 Ų | 79 | 135.6 Ų | 135.6 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | | | trans | -21.1 | 142 | 161.8 | 61.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 247 | R | 40.5 | Very low | 34.8 | Very low | 200 Ų | 200 | 141.1 Ų | 141.1 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | | | | 173.1 | 132.3 | 109.5 | -91 | 155.9 | -173.3 | -161.3 | 2.9 | 113 | | |
| 248 | R | 34.6 | Very low | 34.8 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | | | trans | 56.9 | 139.9 | 132 | -61.6 | 176.7 | 169.9 | -180 | -2.9 | 118.3 | | |
| 249 | R | 38.7 | Very low | 35 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | | | cis | -171.8 | 148.8 | 8.7 | -122 | -169.1 | -105.9 | -113.3 | 18.8 | 110.9 | | |
| 250 | L | 37.1 | Very low | 34.8 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 70.1 | 151.5 | 140.2 | -74.1 | 168.5 | 0 | 0 | 0 | 123.2 | | |
| 251 | R | 40.1 | Very low | 35.2 | Very low | 206 Ų | 206 | 155.2 Ų | 155.2 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 79.4 | 130.5 | 170.5 | -54.8 | -174.7 | -176.9 | -102.6 | 7.7 | 115 | | |
| 252 | E | 40.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 159.6 Ų | 159.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -150 | 158.5 | -3.2 | -124.1 | 139.9 | -142.9 | 0 | 0 | 112.5 | | |
| 253 | R | 36.3 | Very low | 35.7 | Very low | 239 Ų | 239 | 160.5 Ų | 160.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -90.2 | 152.7 | -166.5 | -105.7 | -177.8 | 172.2 | -142.1 | -0 | 112.9 | | |
| 254 | S | 34.3 | Very low | 35.6 | Very low | 119 Ų | 119 | 162.7 Ų | 162.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 92.7 | 156.8 | 136.8 | -136.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 255 | A | 40.6 | Very low | 35.8 | Very low | 85 Ų | 85 | 160.4 Ų | 160.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | 68.5 | 111 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 256 | E | 37.5 | Very low | 35.7 | Very low | 187 Ų | 187 | 163.4 Ų | 163.4 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | | 56.5 | 98.8 | 57.1 | -58.9 | -165.1 | 172.1 | 0 | 0 | 114.4 | | |
| 257 | H | 34.5 | Very low | 35.9 | Very low | 166 Ų | 166 | 162.3 Ų | 162.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | -157.6 | 156.7 | 116.8 | -144.9 | 66.8 | 0 | 0 | 0 | 113 | | |
| 258 | L | 35 | Very low | 35.5 | Very low | 133 Ų | 133 | 159.6 Ų | 159.6 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | | | trans | -68.6 | 153.4 | 174.8 | -67 | 61.9 | 0 | 0 | 0 | 110.8 | | |
| 259 | Q | 33.6 | Very low | 35.5 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | | -168.9 | 134.7 | 109.8 | -145.9 | 92.6 | -1 | 0 | 0 | 110.9 | | |
| 260 | C | 26.6 | Very low | 35.3 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -76.5 | 145.3 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 261 | R | 34.2 | Very low | 35.1 | Very low | 248 Ų | 248 | 152.7 Ų | 152.7 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -173.8 | 99.3 | 134.7 | -104.2 | 167 | -175.6 | -171 | 1.6 | 111.9 | | |
| 262 | Q | 36.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -93.3 | 169.3 | 142.8 | -56.8 | -172.3 | -21.4 | 0 | 0 | 107.5 | | |
| 263 | P | 38.7 | Very low | 34.4 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | | -153.4 | -175.7 | 80.7 | 42.1 | -23 | 0 | 0 | 0 | 115.6 | | |
| 264 | L | 32.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | trans | 69.1 | 132.8 | 162.5 | -90 | 74.8 | 0 | 0 | 0 | 116.8 | | |
| 265 | L | 35.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 150 Ų | 150 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | cis | -148.2 | 148.4 | 1.9 | -95.2 | 174.8 | 0 | 0 | 0 | 111.8 | | |
| 266 | R | 31.7 | Very low | 33.9 | Very low | 235 Ų | 235 | 151.3 Ų | 151.3 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | 40.9 | 120.9 | 136.3 | -172.6 | -176.2 | -88.6 | -123.1 | 0.3 | 118.1 | | |
| 267 | G | 33.9 | Very low | 33.9 | Very low | 56 Ų | 56 | 152.9 Ų | 152.9 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | | | cis | 121.3 | 123.2 | 8.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 268 | T | 33.2 | Very low | 34.2 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | 63 | 142.2 | 165.1 | 64.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 269 | S | 34.1 | Very low | 34.7 | Very low | 92 Ų | 92 | 152.7 Ų | 152.7 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -154 | 168.3 | 19.6 | -35.8 | 0 | 0 | 0 | 0 | 113 | | |
| 270 | D | 35.2 | Very low | 35.4 | Very low | 142 Ų | 142 | 151.1 Ų | 151.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | 69.9 | 91.9 | 143.6 | -50.9 | -25.2 | 0 | 0 | 0 | 121 | F272 | D270-F272 PolarHBondContact O-N 3.4Š|
| 271 | T | 31.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -21.2 | 122.9 | 130 | 38.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 272 | F | 33.1 | Very low | 36 | Very low | 209 Ų | 209 | 152.8 Ų | 152.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | | -154 | 139.7 | 125 | -116.3 | -78.6 | 0 | 0 | 0 | 110.9 | D270 | D270-F272 PolarHBondContact O-N 3.4Š|
| 273 | A | 33.8 | Very low | 36 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -83.9 | 129.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 274 | S | 33.4 | Very low | 36.1 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -173.3 | 98.1 | 143.8 | 42.9 | 0 | 0 | 0 | 0 | 111.8 | T276 | S274-T276 PolarHBondContact O-N 3.04Š|
| 275 | R | 34.2 | Very low | 36.5 | Very low | 265 Ų | 265 | 151 Ų | 151 | 100% | 1 | 79% | 0.787 | S | S | * | * | | | trans | -67.4 | 96.5 | 163.5 | -81.1 | -173.5 | 173.8 | -161.2 | -0.8 | 108.7 | | |
| 276 | T | 33.9 | Very low | 36.4 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | | | trans | -121.2 | 134.3 | 172.8 | 52 | 0 | 0 | 0 | 0 | 111.8 | S274 | S274-T276 PolarHBondContact O-N 3.04Š|
| 277 | R | 37.3 | Very low | 36.8 | Very low | 220 Ų | 220 | 145.5 Ų | 145.5 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | 48 | 100.4 | 160 | -65.8 | -177.8 | 167.9 | -152.5 | -1.9 | 118.2 | | |
| 278 | K | 39.4 | Very low | 37.1 | Very low | 219 Ų | 219 | 148.9 Ų | 148.9 | 95% | 0.952 | 79% | 0.787 | S | S | * | * | | | | -104.2 | 83.4 | 120.9 | -104.2 | -179.2 | 177.6 | 176.5 | 0 | 109.6 | | |
| 279 | S | 46.2 | Very low | 37.1 | Very low | 76 Ų | 76 | 149 Ų | 149 | 53% | 0.531 | 79% | 0.787 | S | S | . | * | | | trans | -64.1 | 137.9 | 155.8 | 46.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 280 | N | 48.5 | Very low | 37.3 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | | -159.2 | 86.1 | 96.6 | 50.3 | -13.1 | 0 | 0 | 0 | 112 | R282 | N280-R282 PolarHBondContact O-N 2.96Š|
| 281 | N | 32.4 | Very low | 37.2 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -58 | 104.3 | 157.8 | -65.1 | -20.3 | 0 | 0 | 0 | 108.3 | | |
| 282 | R | 41.5 | Very low | 37.3 | Very low | 233 Ų | 233 | 151.2 Ų | 151.2 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -100.9 | 102.2 | 165.4 | -111.1 | -172.8 | 179.8 | -170 | 0.2 | 109.4 | N280 | N280-R282 PolarHBondContact O-N 2.96Š|
| 283 | S | 35.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -47.1 | 131.4 | 160.2 | 50 | 0 | 0 | 0 | 0 | 112 | | |
| 284 | V | 40.8 | Very low | 37.4 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | | | trans | -131.2 | 127.1 | 143.8 | -176.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 285 | M | 40.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 153 Ų | 153 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | | | trans | -78.3 | 160.2 | -178.6 | -108.3 | -177 | 57.6 | 0 | 0 | 112 | L287 | M285-L287 PolarHBondContact O-N 2.95Š|
| 286 | P | 35.3 | Very low | 37.4 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -85.8 | 109.1 | 176.6 | 33.5 | -29.9 | 0 | 0 | 0 | 111.3 | | |
| 287 | L | 38.5 | Very low | 37.6 | Very low | 144 Ų | 144 | 148 Ų | 148 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -148.5 | 142.9 | 167.4 | -63.7 | 174.1 | 0 | 0 | 0 | 106.1 | M285 | M285-L287 PolarHBondContact O-N 2.95Š|
| 288 | D | 41.4 | Very low | 37.5 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | | | cis | -148.7 | 154.7 | 5.6 | -159.4 | -6.7 | 0 | 0 | 0 | 109.9 | R290 | D288-R290 PolarHBondContact O-N 3.48Å; D288-R290 VanDerWaalsContact O-N 3.16Å |
| 289 | V | 31.9 | Very low | 37.3 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -89.4 | 78.4 | 179.4 | -174 | 0 | 0 | 0 | 0 | 109.6 | | |
| 290 | R | 38.8 | Very low | 36.8 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | trans | -157.3 | 129.6 | 172.7 | -106.3 | 160.3 | 161.5 | 178.7 | -8.2 | 108.4 | D288 | D288-R290 PolarHBondContact O-N 3.48Å; D288-R290 VanDerWaalsContact O-N 3.16Å |
| 291 | G | 32.5 | Very low | 36.2 | Very low | 64 Ų | 64 | 136.5 Ų | 136.5 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | cis | 90.2 | 103.9 | 31.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 292 | C | 35.2 | Very low | 36.2 | Very low | 126 Ų | 126 | 134 Ų | 134 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | 87.7 | 107.3 | 172.7 | -56.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 293 | T | 34.8 | Very low | 36.1 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | | 85.3 | 106.9 | 116.6 | -52.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 294 | R | 33.8 | Very low | 36.3 | Very low | 231 Ų | 231 | 133.3 Ų | 133.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | 86.4 | 91.6 | 132 | -162.5 | 174.5 | -171 | 178.4 | 2.8 | 121.5 | | |
| 295 | A | 34.3 | Very low | 36.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | | 90.4 | 147.5 | 113.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 296 | T | 33.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | 93.9 | 103.5 | 151.9 | -24.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 297 | L | 36.8 | Very low | 36.2 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 33.6 | 145.6 | 136 | -50.7 | 173.2 | 0 | 0 | 0 | 118.9 | | |
| 298 | T | 35.2 | Very low | 36.1 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | | -171.7 | 158.9 | 53.3 | -40.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 299 | A | 35.9 | Very low | 36.2 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | 70 | 117.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 300 | S | 36.2 | Very low | 36.7 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | | 94.6 | 131 | 64.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 301 | A | 36.2 | Very low | 36.9 | Very low | 78 Ų | 78 | 137 Ų | 137 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | | | cis | -159.3 | 166.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 302 | C | 32.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | 33 | 141.4 | 146.1 | -53.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 303 | V | 38.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | | -161.8 | 142.8 | 61.7 | 158.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 304 | Q | 40.3 | Very low | 38.3 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -83.9 | 176.8 | 174.9 | -75.2 | -168.6 | -9 | 0 | 0 | 113.7 | | |
| 305 | A | 35.3 | Very low | 39 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -67.8 | 162.9 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 306 | R | 36 | Very low | 39.7 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -60 | 159 | 172.3 | -50.4 | 173.3 | 173.3 | 174.2 | -4 | 111.4 | | |
| 307 | P | 41.7 | Very low | 40.4 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | | | | -142.1 | 157.4 | 81.9 | 35.3 | -18.6 | 0 | 0 | 0 | 115.6 | | |
| 308 | G | 37.5 | Very low | 41.1 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 85% | 0.845 | S | S | * | * | | | trans | -78.6 | 170.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 309 | K | 43.5 | Very low | 41.4 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 94% | 0.943 | 85% | 0.849 | S | S | * | * | | | trans | -156.7 | 122.4 | 145.9 | -105.5 | 161.3 | -174.5 | 177.1 | 0 | 107.3 | | |
| 310 | A | 41.9 | Very low | 41.7 | Very low | 102 Ų | 102 | 152.1 Ų | 152.1 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | | | trans | -101.1 | 129.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 311 | R | 43.3 | Very low | 42 | Very low | 254 Ų | 254 | 153.9 Ų | 153.9 | 96% | 0.958 | 86% | 0.856 | S | S | * | * | | | trans | -159 | 134.1 | 150.5 | -110.1 | 172.5 | -173.9 | -155.1 | -1.5 | 109 | | |
| 312 | K | 42 | Very low | 42.3 | Very low | 214 Ų | 214 | 158.4 Ų | 158.4 | 93% | 0.93 | 87% | 0.869 | S | S | * | * | | | trans | -102.4 | 138.2 | 176.5 | -65 | 179.5 | 176.1 | -176.7 | 0 | 109.2 | | |
| 313 | S | 43.1 | Very low | 42.9 | Very low | 108 Ų | 108 | 160.8 Ų | 160.8 | 76% | 0.755 | 87% | 0.873 | S | S | * | * | | | trans | -159.3 | 108.2 | 158.1 | 49 | 0 | 0 | 0 | 0 | 106.3 | | |
| 314 | V | 47.4 | Very low | 43.2 | Very low | 131 Ų | 131 | 162.3 Ų | 162.3 | 79% | 0.794 | 88% | 0.875 | S | S | * | * | | | | 82.5 | 105.2 | 91.6 | 168.9 | 0 | 0 | 0 | 0 | 112 | | |
| 315 | E | 48.4 | Very low | 43.4 | Very low | 187 Ų | 187 | 160.4 Ų | 160.4 | 87% | 0.874 | 87% | 0.874 | S | S | * | * | | | trans | -172.5 | 114.3 | 155.7 | -101 | 165.2 | -161.7 | 0 | 0 | 102.6 | | |
| 316 | T | 47.9 | Very low | 44.1 | Very low | 104 Ų | 104 | 164.9 Ų | 164.9 | 64% | 0.638 | 88% | 0.877 | S | S | * | * | | | cis | 80.5 | 134.1 | 41.3 | -42.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 317 | F | 49.5 | Very low | 44.7 | Very low | 201 Ų | 201 | 158.7 Ų | 158.7 | 88% | 0.882 | 88% | 0.875 | S | S | * | * | | | trans | 71.7 | 128.9 | -169.3 | -59.8 | -89.9 | 0 | 0 | 0 | 114.1 | | |
| 318 | S | 50.7 | Low | 45 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 100% | 1.273 | 88% | 0.878 | S | S | * | * | | | cis | -137.7 | 0 | 8.4 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | | |