| 1 | M | 36.4 | Very low | 38.5 | Very low | 216 Ų | 216 | 150.8 Ų | 150.8 | 100% | 1.064 | 77% | 0.772 | S | S | * | * | | | | 0 | 85.4 | 0 | -64.2 | 161.7 | -175.2 | 0 | 0 | 105.3 | | |
| 2 | E | 35.5 | Very low | 39 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | 65.9 | 128.2 | 61.8 | -63.4 | 130.6 | 76.2 | 0 | 0 | 110.6 | | |
| 3 | D | 36.5 | Very low | 39.7 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | -157.6 | 163.9 | 5.4 | -169.6 | -135.8 | 0 | 0 | 0 | 112.8 | | |
| 4 | S | 40.6 | Very low | 39.7 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | trans | 54.7 | 160.9 | 150.7 | -79.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 5 | S | 40.8 | Very low | 39.6 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | cis | -167.9 | -174.4 | -22.5 | 53.7 | 0 | 0 | 0 | 0 | 109 | | |
| 6 | E | 44.8 | Very low | 39.5 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | 65.9 | 107.4 | 172.2 | -52.8 | -167.1 | 112.6 | 0 | 0 | 115.7 | | |
| 7 | Q | 39.9 | Very low | 39.2 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | cis | 69.8 | 127.7 | 39.5 | -135.6 | 165.1 | 16.4 | 0 | 0 | 111.3 | | |
| 8 | S | 40.9 | Very low | 39.1 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | cis | -155.7 | 158.6 | 36.9 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 9 | H | 38.3 | Very low | 39 | Very low | 129 Ų | 129 | 139 Ų | 139 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | | | trans | 13.1 | 142.4 | 141.1 | -56 | -84 | 0 | 0 | 0 | 119.3 | | |
| 10 | W | 33.6 | Very low | 39.7 | Very low | 250 Ų | 250 | 137.8 Ų | 137.8 | 95% | 0.947 | 77% | 0.769 | S | S | * | * | | | | -137.4 | 155.9 | 56.3 | -76.6 | 85.6 | 0 | 0 | 0 | 116.1 | | |
| 11 | V | 36.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | -122 | 140.7 | -175.7 | 167.9 | 0 | 0 | 0 | 0 | 110 | | |
| 12 | S | 45.1 | Very low | 39.8 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -84 | 137.3 | 169.4 | -47.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 13 | P | 47.9 | Very low | 39.8 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -98.9 | 149.3 | 162.2 | 35 | -29.4 | 0 | 0 | 0 | 111.9 | | |
| 14 | A | 38.8 | Very low | 39.7 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -143.8 | 173.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 15 | L | 39.4 | Very low | 39.3 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 86 | 123.2 | 163.5 | -52.9 | -176.5 | 0 | 0 | 0 | 119.3 | | |
| 16 | L | 38.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | 70.4 | 152.3 | 138.7 | -58.7 | 167.7 | 0 | 0 | 0 | 117.8 | | |
| 17 | S | 33.3 | Very low | 38.7 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | cis | -163.4 | 178 | -4 | -125.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 18 | S | 37.7 | Very low | 39.5 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | 72.8 | 123.2 | 147.9 | 47.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 19 | D | 37.9 | Very low | 39.1 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -61.8 | 163.3 | 150.7 | -123.3 | -53.9 | 0 | 0 | 0 | 111.8 | | |
| 20 | P | 51.6 | Low | 38.9 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | | -156.7 | 149.6 | 70.1 | 40.3 | -18.7 | 0 | 0 | 0 | 120.7 | | |
| 21 | L | 44.2 | Very low | 39.1 | Very low | 164 Ų | 164 | 123.8 Ų | 123.8 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | 37.4 | 112.3 | 137.5 | -67 | 172.3 | 0 | 0 | 0 | 123.6 | | |
| 22 | A | 35.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -178.1 | 152.2 | 131.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 23 | G | 35.1 | Very low | 40.7 | Very low | 55 Ų | 55 | 124.3 Ų | 124.3 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | | | cis | 167.2 | 130.1 | -11.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 24 | F | 34.8 | Very low | 40 | Very low | 216 Ų | 216 | 121.5 Ų | 121.5 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | trans | 68.3 | 157 | 172.7 | -40.9 | -78.2 | 0 | 0 | 0 | 116.8 | | |
| 25 | S | 31.8 | Very low | 39.9 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | cis | -152.8 | 147.3 | -1.5 | -155.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 26 | S | 37.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 25.6 | 142.5 | 142.8 | 63.3 | 0 | 0 | 0 | 0 | 125.1 | | |
| 27 | G | 35.8 | Very low | 39.6 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 138.7 | 128.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 28 | P | 54.9 | Low | 39.8 | Very low | 136 Ų | 136 | 128 Ų | 128 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -128.7 | 161.6 | 178.6 | 41.3 | -29.1 | 0 | 0 | 0 | 117.2 | | |
| 29 | G | 33.8 | Very low | 39.7 | Very low | 71 Ų | 71 | 127.7 Ų | 127.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | 129.2 | 145.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 30 | L | 34.6 | Very low | 39.6 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | | | trans | 85.7 | 166.9 | 147 | -55.6 | 179.6 | 0 | 0 | 0 | 122.5 | | |
| 31 | L | 36.4 | Very low | 38.8 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -133.8 | -174.3 | -166 | -66.6 | 169.2 | 0 | 0 | 0 | 109.2 | | |
| 32 | P | 61.7 | Low | 38.3 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | | | cis | -109.2 | -115.4 | -15.2 | 32 | -10 | 0 | 0 | 0 | 109.2 | | |
| 33 | P | 53.5 | Low | 37.9 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | cis | -84.2 | -158.6 | -7.3 | 41.8 | -39.3 | 0 | 0 | 0 | 111.5 | | |
| 34 | G | 33.3 | Very low | 37.9 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | cis | -172.3 | -154.5 | 8.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 35 | E | 37.3 | Very low | 37.9 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | -101.3 | 178.3 | -168.2 | 58.1 | -101.4 | 77.9 | 0 | 0 | 114.9 | | |
| 36 | E | 36.3 | Very low | 38.8 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | cis | -156.2 | 166.8 | 17.2 | 63.7 | -166.4 | 123.9 | 0 | 0 | 113.9 | | |
| 37 | G | 34.4 | Very low | 38.6 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | 119.2 | 93.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 38 | E | 36.9 | Very low | 38.7 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -103.9 | 155 | 159.8 | -88.4 | -160.3 | 140.5 | 0 | 0 | 111.7 | | |
| 39 | A | 36.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | | | trans | -146.5 | 107.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 40 | F | 34.7 | Very low | 37.7 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 73% | 0.728 | 80% | 0.8 | S | S | * | * | | | trans | -79.4 | 146.9 | 166.7 | -103.6 | -103 | 0 | 0 | 0 | 110.8 | | |
| 41 | F | 35.9 | Very low | 38 | Very low | 210 Ų | 210 | 142.2 Ų | 142.2 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | | -170.9 | 148.7 | 128.3 | -104.6 | -65.5 | 0 | 0 | 0 | 112 | | |
| 42 | S | 32.5 | Very low | 38.4 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 60% | 0.601 | 79% | 0.793 | S | S | * | * | | | trans | -106.8 | 148.2 | 175.8 | -49.9 | 0 | 0 | 0 | 0 | 111 | | |
| 43 | N | 28.6 | Very low | 37.2 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | | 173.6 | 143.1 | 114.7 | -97 | -62.2 | 0 | 0 | 0 | 115.6 | | |
| 44 | Q | 33.4 | Very low | 36.2 | Very low | 168 Ų | 168 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 34.5 | 149.8 | 138.1 | -90.2 | 158.2 | 32.5 | 0 | 0 | 124.9 | | |
| 45 | D | 35.6 | Very low | 36.2 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | | | trans | -66.4 | 169.3 | 172.9 | -41.9 | -98.6 | 0 | 0 | 0 | 113.6 | | |
| 46 | P | 50.3 | Low | 35.9 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -147.2 | 169.7 | 95.7 | 39.2 | -23.7 | 0 | 0 | 0 | 116.5 | | |
| 47 | D | 34 | Very low | 35.9 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 161.5 | 177.5 | -45.8 | -103.1 | 0 | 0 | 0 | 115.1 | | |
| 48 | Y | 37 | Very low | 36.6 | Very low | 221 Ų | 221 | 144.1 Ų | 144.1 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | -164.6 | 156.1 | 111.8 | -125 | -113 | 0 | 0 | 0 | 116.4 | | |
| 49 | T | 36.5 | Very low | 36.5 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | -56 | 157.5 | -170.5 | 59.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 50 | S | 33 | Very low | 36.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | -172 | 153.7 | 107.9 | 39.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 51 | L | 40 | Very low | 36.6 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -123.8 | 171.9 | 175.3 | -70.5 | 173.5 | 0 | 0 | 0 | 109.7 | | |
| 52 | P | 45.1 | Very low | 36.5 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | | -136.6 | 159.7 | 96.1 | 30.2 | -14.2 | 0 | 0 | 0 | 114.8 | | |
| 53 | S | 35.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 143 Ų | 143 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | trans | -105.8 | 168.2 | 179.7 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 54 | F | 32.4 | Very low | 37.2 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -153.6 | 143.5 | 151.8 | -100.4 | -60.4 | 0 | 0 | 0 | 114.7 | | |
| 55 | F | 33.5 | Very low | 37.2 | Very low | 169 Ų | 169 | 140 Ų | 140 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | 65.6 | 84.7 | 164.4 | -70.7 | -70.8 | 0 | 0 | 0 | 122.4 | | |
| 56 | S | 32.2 | Very low | 37.3 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | 61.7 | 127.4 | 110.7 | -54.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 57 | N | 34.3 | Very low | 36.4 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | -95.5 | 168.8 | 160.1 | -156.7 | 18.6 | 0 | 0 | 0 | 110.1 | | |
| 58 | P | 50.6 | Low | 36.5 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | | -144.2 | 167.8 | 109 | 38.4 | -24.6 | 0 | 0 | 0 | 115.9 | | |
| 59 | S | 34.5 | Very low | 36.4 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | | | trans | -68.7 | 154.9 | -177.7 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 60 | H | 36.6 | Very low | 36 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | | | | -158.9 | 146.8 | 126.4 | -114.7 | -73.3 | 0 | 0 | 0 | 112.8 | | |
| 61 | S | 37.3 | Very low | 36.2 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -95.1 | 146.6 | 177.5 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 62 | R | 33.9 | Very low | 35.9 | Very low | 250 Ų | 250 | 145.2 Ų | 145.2 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | | | trans | -153.3 | 140.4 | 164.7 | -149.8 | 167.1 | -168.2 | 158.4 | 5.8 | 113.6 | | |
| 63 | A | 35.9 | Very low | 35.5 | Very low | 83 Ų | 83 | 149.6 Ų | 149.6 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 158.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | P | 38.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 144.3 | 177.7 | 27.7 | -35.9 | 0 | 0 | 0 | 112.4 | | |
| 65 | S | 33.3 | Very low | 35.5 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 139.8 | -179.9 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 66 | T | 38.4 | Very low | 35.5 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.1 | 163.8 | 40.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 67 | Y | 32 | Very low | 35.5 | Very low | 224 Ų | 224 | 152.5 Ų | 152.5 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 146 | 170.1 | -157.1 | -92.8 | 0 | 0 | 0 | 111.1 | | |
| 68 | R | 36.7 | Very low | 35.5 | Very low | 228 Ų | 228 | 151.3 Ų | 151.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90 | 157.2 | -169.4 | -72.7 | -176.3 | 170.5 | -168.3 | -2.2 | 113.5 | | |
| 69 | H | 33 | Very low | 35.4 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.8 | 159.6 | -64.2 | -96.4 | 0 | 0 | 0 | 111.4 | | |
| 70 | S | 28.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 152.6 Ų | 152.6 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | 172.4 | 139.2 | 158.1 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 71 | S | 38.7 | Very low | 35.6 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | | | cis | -164.2 | -168.9 | -10 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 72 | V | 32.4 | Very low | 35.8 | Very low | 130 Ų | 130 | 154.8 Ų | 154.8 | 79% | 0.788 | 83% | 0.828 | S | S | * | * | | | trans | 74.1 | 122.1 | 166.4 | -173.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 73 | R | 36.5 | Very low | 35.7 | Very low | 222 Ų | 222 | 147.7 Ų | 147.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | cis | -132 | 156.8 | -8.8 | -83.3 | -147.9 | 173.4 | -130.4 | -3.3 | 111 | | |
| 74 | Q | 34 | Very low | 35.5 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | | | trans | -97.2 | 153 | 153.4 | -78.8 | -75.8 | -26.4 | 0 | 0 | 109.5 | | |
| 75 | V | 35.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | | | trans | -124.8 | 133.2 | 169.9 | 179 | 0 | 0 | 0 | 0 | 108.7 | | |
| 76 | F | 32.6 | Very low | 35.7 | Very low | 208 Ų | 208 | 155.3 Ų | 155.3 | 91% | 0.912 | 82% | 0.824 | S | S | * | * | | | trans | -33.7 | 137.1 | -171.7 | -82.1 | -105.3 | 0 | 0 | 0 | 118.4 | | |
| 77 | S | 31.8 | Very low | 35.4 | Very low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -132.1 | 122.5 | 157.6 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 78 | S | 34.8 | Very low | 35.5 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | 158 | 160.4 | 160.5 | -81.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 79 | P | 49.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | cis | -123.8 | 177.5 | -16.1 | 35.3 | -18.3 | 0 | 0 | 0 | 113.3 | | |
| 80 | S | 36.7 | Very low | 35.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -80.9 | 140.5 | 175.8 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 81 | L | 38.5 | Very low | 35.2 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -145.1 | 113.2 | 159.2 | -77.3 | -179.2 | 0 | 0 | 0 | 111.3 | | |
| 82 | L | 41.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 139 Ų | 139 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | | -174.4 | 130 | 119 | -101.6 | 169.9 | 0 | 0 | 0 | 109.7 | | |
| 83 | S | 32.4 | Very low | 34.8 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -91.3 | 155.8 | -178.9 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 84 | N | 30.4 | Very low | 35 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | | -153.8 | 143.4 | 129.4 | -116.1 | -88.9 | 0 | 0 | 0 | 110.2 | | |
| 85 | L | 40.4 | Very low | 34.9 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -139.6 | 139.4 | 176.1 | -76.5 | 171.2 | 0 | 0 | 0 | 107 | | |
| 86 | Q | 37 | Very low | 35.3 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | 172.4 | 159.6 | 117.7 | -100.1 | 173.8 | -111.8 | 0 | 0 | 113.3 | | |
| 87 | L | 30.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | | | trans | 70.9 | 146.1 | 161 | -94.8 | 71.1 | 0 | 0 | 0 | 117 | | |
| 88 | L | 35.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 70% | 0.696 | 81% | 0.811 | S | S | * | * | | | cis | -154.1 | 147.3 | -2.8 | -174.4 | 68.5 | 0 | 0 | 0 | 110.7 | | |
| 89 | D | 30.9 | Very low | 36.4 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | 46.8 | 163.9 | 159.5 | -93.2 | -60.6 | 0 | 0 | 0 | 125.1 | | |
| 90 | G | 29.9 | Very low | 35.6 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 114.5 | 86.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 91 | G | 30.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -91.5 | 153 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 92 | G | 31.6 | Very low | 36.3 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 178.2 | 102.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 93 | S | 31.8 | Very low | 36.9 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | 30.1 | 124.9 | 148.1 | 58.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 94 | H | 40.8 | Very low | 37.1 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -11.3 | 150.6 | 147 | -25.1 | -85.9 | 0 | 0 | 0 | 120.2 | | |
| 95 | S | 32 | Very low | 37.4 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | | -166.2 | 161 | 128.4 | -87.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 96 | L | 43.8 | Very low | 37.1 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -119.5 | 171.5 | 171 | -82.6 | 164 | 0 | 0 | 0 | 109.4 | | |
| 97 | S | 34.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | | | trans | 99.4 | 150.2 | 163.3 | -40.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 98 | S | 34.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -97.9 | -169.5 | 175.8 | -140.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 99 | P | 54 | Low | 37.3 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | | | cis | -138.1 | 176.1 | -3.2 | 39.6 | -20.8 | 0 | 0 | 0 | 116 | | |
| 100 | Y | 31.6 | Very low | 37.7 | Very low | 226 Ų | 226 | 130 Ų | 130 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | | | | 179.9 | 173.4 | 121.5 | -112.8 | -90.9 | 0 | 0 | 0 | 113.1 | | |
| 101 | N | 36.2 | Very low | 38.6 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -106.9 | -175.8 | -174.2 | -137.2 | -0.5 | 0 | 0 | 0 | 110 | | |
| 102 | P | 53.3 | Low | 38.9 | Very low | 101 Ų | 101 | 135 Ų | 135 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | | | cis | -132.9 | -136.9 | -13.9 | 44.5 | -24.3 | 0 | 0 | 0 | 109.7 | | |
| 103 | P | 53.8 | Low | 39 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | cis | -121.2 | -170.8 | -35.5 | 39.1 | -23.3 | 0 | 0 | 0 | 113.2 | | |
| 104 | V | 36.6 | Very low | 39 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -113.7 | 147.1 | 175.3 | -160.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 105 | S | 36.5 | Very low | 38.7 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 158.6 | 161.3 | 130.1 | -75 | 0 | 0 | 0 | 0 | 116.8 | | |
| 106 | T | 34 | Very low | 39.4 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | 67.6 | 120.5 | 152.3 | 32.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 107 | W | 41.4 | Very low | 39 | Very low | 262 Ų | 262 | 138.7 Ų | 138.7 | 99% | 0.992 | 79% | 0.789 | S | S | * | * | | | trans | -81 | 150.2 | 156.6 | -60 | -14.4 | 0 | 0 | 0 | 110.3 | | |
| 108 | S | 31.4 | Very low | 39 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -133.9 | 149.4 | 174.2 | -66 | 0 | 0 | 0 | 0 | 111.2 | | |
| 109 | S | 34.5 | Very low | 38.8 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -77.2 | 163.3 | -173 | -55 | 0 | 0 | 0 | 0 | 114.3 | | |
| 110 | T | 39 | Very low | 38 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -62 | 154.3 | 164.4 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 111 | P | 48.6 | Very low | 38.2 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | | -150.5 | 146.6 | 110.1 | 36.5 | -20 | 0 | 0 | 0 | 117 | | |
| 112 | L | 37.8 | Very low | 39.1 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | 64.3 | 161.7 | 150.1 | -60 | 166.4 | 0 | 0 | 0 | 117.5 | | |
| 113 | T | 33.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | | | cis | -157.2 | 167.7 | 16.1 | -23.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 114 | K | 31.2 | Very low | 37.6 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | | | trans | 87.6 | 130.6 | 152.6 | -71 | 173.3 | -177.8 | 178.4 | 0 | 121.1 | | |
| 115 | N | 34.9 | Very low | 37.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | -103.8 | 163 | 167.9 | -120.2 | 35.3 | 0 | 0 | 0 | 109.3 | | |
| 116 | P | 47.3 | Very low | 37.5 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | | -143.1 | -176.2 | 93.8 | 38.5 | -21 | 0 | 0 | 0 | 112.7 | | |
| 117 | L | 34.4 | Very low | 37.4 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | cis | -151.3 | 171.7 | 20.5 | -163.2 | 72.2 | 0 | 0 | 0 | 112.2 | | |
| 118 | H | 35.6 | Very low | 38.2 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -33.4 | 168.8 | 174.2 | -59.4 | -48.1 | 0 | 0 | 0 | 120.2 | | |
| 119 | S | 30.1 | Very low | 38.2 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | cis | -143 | 180 | 15.9 | 41.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 120 | H | 36.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | cis | -150.4 | 169.4 | 22 | -0.5 | -88.6 | 0 | 0 | 0 | 112.9 | | |
| 121 | T | 36.9 | Very low | 37.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -134.2 | 178.7 | -174.4 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 122 | P | 55.1 | Low | 37.2 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | cis | -106 | -133.7 | -11.4 | 21.4 | 2.8 | 0 | 0 | 0 | 109.4 | | |
| 123 | T | 39.3 | Very low | 36.9 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | cis | -160.1 | 164.5 | 1.8 | -11.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 124 | S | 35.1 | Very low | 37.3 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | -149 | -162 | 7.6 | -157.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 125 | L | 36.6 | Very low | 37.4 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -105.7 | 141.9 | -170.4 | -57.5 | 160.4 | 0 | 0 | 0 | 113.2 | | |
| 126 | Y | 34.5 | Very low | 37.6 | Very low | 219 Ų | 219 | 133.4 Ų | 133.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | | -167.9 | 162.1 | 108.4 | -130.5 | -100.6 | 0 | 0 | 0 | 113 | | |
| 127 | T | 31.8 | Very low | 36.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | -157.4 | 176.4 | -173.2 | 12.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 128 | P | 57.6 | Low | 36.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | cis | -134.5 | -178.8 | -21.2 | 37.5 | -20.2 | 0 | 0 | 0 | 114.4 | | |
| 129 | G | 32.2 | Very low | 36.9 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 93.5 | 166.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 130 | V | 33.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | cis | -152.1 | 147.6 | -13.9 | -153.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | T | 33.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | 42.7 | 122.5 | 154.9 | 43 | 0 | 0 | 0 | 0 | 124.1 | | |
| 132 | S | 33.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 137.9 Ų | 137.9 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 54.5 | 128.3 | 119.2 | -167.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 133 | S | 32 | Very low | 35.6 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | | -178.1 | 161.9 | 98.8 | -74.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 134 | F | 41.5 | Very low | 36.1 | Very low | 204 Ų | 204 | 137.6 Ų | 137.6 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -88.7 | 147.3 | 172.9 | -67.3 | -103.9 | 0 | 0 | 0 | 111.6 | | |
| 135 | T | 32.7 | Very low | 35.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -142.8 | 150.9 | 144.4 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 136 | T | 39.5 | Very low | 35.6 | Very low | 140 Ų | 140 | 140 Ų | 140 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -113.4 | 143.5 | 170.1 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 137 | S | 29.5 | Very low | 35.4 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -151 | 166 | 156.1 | -159.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 138 | R | 38.1 | Very low | 35.4 | Very low | 208 Ų | 208 | 135 Ų | 135 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -156.1 | 163.6 | -163 | 163.8 | -178.9 | 160.1 | 150.1 | 10 | 111.4 | | |
| 139 | D | 34.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | | | trans | 80.5 | 142.9 | 170.4 | -63.4 | -40.5 | 0 | 0 | 0 | 116.6 | | |
| 140 | G | 29.9 | Very low | 34.2 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 159.1 | 100.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 141 | Y | 36.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 144.7 Ų | 144.7 | 86% | 0.863 | 80% | 0.801 | S | S | * | * | | | trans | -82.1 | 147.7 | -174.9 | -76.3 | -112.2 | 0 | 0 | 0 | 112.2 | | |
| 142 | L | 30.6 | Very low | 35 | Very low | 167 Ų | 167 | 144.2 Ų | 144.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | 170.7 | 143.4 | 120 | -91 | 162.7 | 0 | 0 | 0 | 112.5 | | |
| 143 | S | 35.5 | Very low | 34.8 | Very low | 113 Ų | 113 | 151.3 Ų | 151.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | -147.5 | 147.1 | 163.5 | -71.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 144 | P | 48.2 | Very low | 34.8 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | | -149.4 | 149.9 | 119.6 | 36.5 | -21.1 | 0 | 0 | 0 | 115.8 | | |
| 145 | S | 28.9 | Very low | 34.4 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | 65.2 | 155.7 | 156.4 | -66.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 146 | R | 33.7 | Very low | 34.5 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 73% | 0.725 | 80% | 0.797 | S | S | * | * | | | cis | -149.9 | 156.4 | -1 | -138.5 | -179.1 | -175.6 | -137 | 8.6 | 110.8 | | |
| 147 | E | 30 | Very low | 34.1 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | 52 | 130.2 | 150.5 | -82.1 | 147.6 | -160.4 | 0 | 0 | 121.5 | | |
| 148 | G | 31.2 | Very low | 34.4 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | 165.2 | 79.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 149 | R | 34.9 | Very low | 34.1 | Very low | 234 Ų | 234 | 150.4 Ų | 150.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -71.7 | 173.2 | 158.1 | -58 | -173.1 | -172.4 | -133.2 | 4.6 | 107.3 | | |
| 150 | E | 29.2 | Very low | 34 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | cis | -159.7 | 164.1 | 22.9 | 2.8 | -167.9 | 81.8 | 0 | 0 | 111.9 | | |
| 151 | S | 31.9 | Very low | 34 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -174.5 | 157.1 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 109 | | |
| 152 | P | 52.2 | Low | 33.7 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | cis | -121.4 | -176.8 | -19.4 | 36.5 | -22.1 | 0 | 0 | 0 | 112.1 | | |
| 153 | R | 29.4 | Very low | 33.8 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | trans | -162.2 | 161.3 | 139.3 | -113.9 | 158.6 | -171.3 | 159.2 | 3.4 | 115.3 | | |
| 154 | L | 33.7 | Very low | 33.6 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -96.2 | 158.5 | 175.4 | -58.5 | 160 | 0 | 0 | 0 | 109.4 | | |
| 155 | Q | 31.8 | Very low | 33.5 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 70% | 0.696 | 79% | 0.792 | S | S | * | * | | | | -179.2 | 114.1 | 108.7 | -155 | 61.7 | 31.8 | 0 | 0 | 112.9 | | |
| 156 | E | 34.2 | Very low | 33.8 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | 13.3 | 123.7 | 137.8 | -172 | 177.6 | -156.6 | 0 | 0 | 121.4 | | |
| 157 | A | 33.1 | Very low | 33.7 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -156.2 | 120 | 155.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 158 | L | 35.4 | Very low | 33.7 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | 48 | 110.1 | 141.1 | -57.6 | 177 | 0 | 0 | 0 | 123.5 | | |
| 159 | K | 31.5 | Very low | 33.8 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | | 20.3 | 125.7 | 125.5 | -60.4 | 172.7 | -179 | 172.9 | 0 | 120 | | |
| 160 | A | 32.6 | Very low | 33.5 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | trans | -145.8 | 155.3 | 142 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 161 | E | 30.4 | Very low | 33.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -114.1 | 139.6 | -177.8 | -136.6 | -156.8 | 112 | 0 | 0 | 112.1 | | |
| 162 | R | 29.6 | Very low | 33.8 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | | | trans | 47.7 | 113.9 | 138.5 | -158.9 | -154.5 | -159.6 | 85.4 | 8 | 119.5 | | |
| 163 | L | 32 | Very low | 33 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | | | | 177.4 | 143.4 | 107.3 | -91.7 | 170.8 | 0 | 0 | 0 | 113.4 | | |
| 164 | S | 31.8 | Very low | 33.3 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | 24.6 | 137.4 | 155.3 | -49.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 165 | P | 45.8 | Very low | 33.4 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -103.3 | 155.7 | 136.6 | 35.6 | -29.8 | 0 | 0 | 0 | 112.2 | | |
| 166 | L | 35.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -122.1 | 127.1 | -176.5 | 176.4 | 69.2 | 0 | 0 | 0 | 111.4 | | |
| 167 | G | 31.9 | Very low | 33.5 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | 78.6 | 148.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 168 | G | 30.1 | Very low | 33.6 | Very low | 61 Ų | 61 | 140.6 Ų | 140.6 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | | | cis | 177.8 | 155.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 169 | L | 33.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 98% | 0.979 | 83% | 0.826 | S | S | * | * | | | trans | 65.3 | 142 | -179.5 | -66.2 | 67.7 | 0 | 0 | 0 | 114.5 | | |
| 170 | G | 29.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | cis | -169.6 | -172.8 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 171 | S | 33.2 | Very low | 34.1 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | 63.9 | 74.4 | 174.4 | -61 | 0 | 0 | 0 | 0 | 117.4 | | |
| 172 | S | 33.6 | Very low | 34.2 | Very low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | | | trans | -82.4 | 143.7 | 165.2 | 54 | 0 | 0 | 0 | 0 | 112.8 | | |
| 173 | S | 35.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | -70.6 | 143 | 173.4 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 174 | S | 36.4 | Very low | 34.5 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -104.4 | 114.2 | 177.5 | 47.1 | 0 | 0 | 0 | 0 | 112 | | |
| 175 | F | 34.3 | Very low | 34.6 | Very low | 204 Ų | 204 | 127.2 Ų | 127.2 | 90% | 0.895 | 83% | 0.834 | S | S | * | * | | | trans | -81.2 | 144.5 | 161.4 | -82.1 | -93.5 | 0 | 0 | 0 | 109.9 | | |
| 176 | L | 38.5 | Very low | 34.1 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | | | trans | -75.7 | 128.3 | 177.2 | -63.9 | 172.7 | 0 | 0 | 0 | 111.3 | | |
| 177 | N | 30.7 | Very low | 34.2 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | | | trans | -147.1 | 149.8 | 148.1 | -155.6 | 0.4 | 0 | 0 | 0 | 109.6 | | |
| 178 | L | 33.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 86% | 0.859 | 82% | 0.822 | S | S | * | * | | | trans | -98.4 | 137.6 | -164.6 | -70.8 | 145.5 | 0 | 0 | 0 | 112.3 | | |
| 179 | T | 36.7 | Very low | 34.9 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | | | trans | -128.6 | 124.7 | 166.9 | -48.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 180 | P | 41.1 | Very low | 34.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | | | trans | -71.1 | 150.2 | 172.5 | 30.5 | -33.7 | 0 | 0 | 0 | 110.8 | | |
| 181 | A | 33.8 | Very low | 35 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | -71.6 | 144.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 182 | A | 32.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | | | trans | -122 | 130.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 183 | G | 33.9 | Very low | 34.8 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | | | trans | -161.7 | 154.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 184 | S | 33.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | 72.7 | 142.8 | -179.9 | -145.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 185 | V | 34.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | | | trans | -143.6 | 114.5 | -176 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 186 | Y | 35.6 | Very low | 35.3 | Very low | 223 Ų | 223 | 137.7 Ų | 137.7 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | trans | -151.5 | 151.1 | 164.5 | -82.3 | -69.4 | 0 | 0 | 0 | 110.3 | | |
| 187 | T | 36.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -131.6 | 173 | 178.3 | 56.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 188 | P | 45.6 | Very low | 35.3 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | | | cis | -133.5 | 178.1 | 5.8 | 42.5 | -25.8 | 0 | 0 | 0 | 116.4 | | |
| 189 | S | 29.6 | Very low | 36 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | 43.7 | 116 | 149.3 | -60.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 190 | S | 32 | Very low | 35.8 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | | -171.8 | 140.5 | 116.9 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 191 | H | 33.3 | Very low | 35.4 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | 30 | 142 | 158.4 | -66.8 | -71.9 | 0 | 0 | 0 | 125.1 | | |
| 192 | S | 31.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 107.5 | 139.1 | 141.6 | 75.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 193 | H | 31.5 | Very low | 35.7 | Very low | 178 Ų | 178 | 137 Ų | 137 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -80.8 | 169.4 | -177.4 | -92.1 | -70.8 | 0 | 0 | 0 | 111.5 | | |
| 194 | P | 46.1 | Very low | 35.8 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -151.4 | 169.6 | 45.9 | 39.2 | -16.2 | 0 | 0 | 0 | 120.9 | | |
| 195 | H | 37.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 38.1 | 122.4 | 149.8 | -73 | -114.3 | 0 | 0 | 0 | 120.8 | | |
| 196 | M | 33.9 | Very low | 36 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | 90.7 | 128.3 | 45.9 | -72.9 | -67.1 | 175.9 | 0 | 0 | 115.3 | | |
| 197 | L | 40.2 | Very low | 36.9 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 168.7 | 173.1 | -83.5 | 165.6 | 0 | 0 | 0 | 111.7 | | |
| 198 | S | 28.1 | Very low | 37 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -61.4 | 144.4 | -167.6 | -169.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 199 | P | 49.8 | Very low | 36.4 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | | | trans | -75 | -178.7 | 158.9 | 39.4 | -39.2 | 0 | 0 | 0 | 110.1 | | |
| 200 | Y | 32.1 | Very low | 36.8 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | cis | -151 | 163.6 | 11.1 | -165.2 | -117.8 | 0 | 0 | 0 | 109.5 | | |
| 201 | S | 31.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -145.7 | 160.1 | 163.3 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 202 | S | 33 | Very low | 37 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | | | trans | -65.9 | 146.1 | -148.3 | -56.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 203 | Y | 39.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | | | trans | -39.9 | 126.9 | 153.7 | 42.9 | -88.4 | 0 | 0 | 0 | 114.1 | | |
| 204 | M | 37.2 | Very low | 38 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | | | | 171.9 | 150.9 | 104.1 | -94.3 | -56.8 | 169.2 | 0 | 0 | 112.6 | | |
| 205 | T | 38.3 | Very low | 37.5 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -120 | 139.2 | -179 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 206 | G | 33.3 | Very low | 37.8 | Very low | 74 Ų | 74 | 141.1 Ų | 141.1 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | trans | -164.8 | 120.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 207 | P | 53.8 | Low | 37.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -118.3 | 174.9 | -170.1 | 40.8 | -32 | 0 | 0 | 0 | 116.3 | | |
| 208 | Q | 39.2 | Very low | 37.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | 74.3 | 156.9 | 170.2 | -40.2 | -55.2 | 27.4 | 0 | 0 | 116.6 | | |
| 209 | D | 34 | Very low | 39.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | cis | -156 | 162.9 | 13.2 | -133.2 | -31.3 | 0 | 0 | 0 | 113.8 | | |
| 210 | Y | 37.8 | Very low | 38.3 | Very low | 205 Ų | 205 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 55.2 | 152.7 | 167.7 | -84.6 | -108.7 | 0 | 0 | 0 | 119.3 | | |
| 211 | N | 33.7 | Very low | 39 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | cis | -151.5 | 178.4 | 28.8 | -170.2 | 18.5 | 0 | 0 | 0 | 112.2 | | |
| 212 | S | 36.3 | Very low | 39.5 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -127.6 | 174.6 | -161.2 | -62.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 213 | A | 38.9 | Very low | 39.9 | Very low | 107 Ų | 107 | 141 Ų | 141 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | | | trans | 88 | 155.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 214 | A | 43.9 | Very low | 39.8 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | | | trans | -132.8 | 163.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 215 | L | 37.2 | Very low | 40.3 | Very low | 180 Ų | 180 | 136 Ų | 136 | 94% | 0.942 | 81% | 0.808 | S | S | * | * | | | trans | -131.3 | 137.9 | 168.7 | -70.3 | 175.8 | 0 | 0 | 0 | 110.8 | | |
| 216 | Y | 42.8 | Very low | 40.8 | Very low | 233 Ų | 233 | 135.6 Ų | 135.6 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | | | trans | -88.2 | 145.6 | 179.5 | -90.6 | -101.7 | 0 | 0 | 0 | 112.1 | | |
| 217 | S | 32.6 | Very low | 41.1 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -160.7 | 153.3 | 146.5 | -82.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 218 | S | 37.5 | Very low | 40.6 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -149.9 | 172.2 | 178.7 | -135.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 219 | P | 58.7 | Low | 41.2 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | cis | -124.2 | 171.2 | -8.2 | 39.9 | -26.1 | 0 | 0 | 0 | 113 | | |
| 220 | G | 34.2 | Very low | 41.5 | Very low | 64 Ų | 64 | 138.5 Ų | 138.5 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | trans | -172.3 | 115.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | W222 | G220-W222 PolarHBondContact O-N 3.41Š|
| 221 | A | 46.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -81.8 | 112.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 222 | W | 41 | Very low | 43 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -142.9 | 91.5 | 157.6 | 31.6 | -48.3 | 0 | 0 | 0 | 112.9 | G220 | G220-W222 PolarHBondContact O-N 3.41Š|
| 223 | I | 42.1 | Very low | 43.2 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | | | trans | -31.9 | 130.8 | 166.1 | 33.9 | 171.4 | 0 | 0 | 0 | 115.8 | | |
| 224 | S | 38 | Very low | 43.7 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -152.5 | 95.5 | 161.3 | -80.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 225 | P | 46.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -82.4 | 124.1 | 177.7 | 31.2 | -32.1 | 0 | 0 | 0 | 111.6 | Y227 | P225-Y227 PolarHBondContact O-N 3Å; P225-Y227 VanDerWaalsContact O-N 3.12Å |
| 226 | S | 48.3 | Very low | 44.2 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -59.7 | 111.8 | 173.8 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 227 | Y | 41.2 | Very low | 44.3 | Very low | 183 Ų | 183 | 139 Ų | 139 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -107.4 | 102.5 | 175.7 | -161.9 | -94.8 | 0 | 0 | 0 | 112.2 | P225 | P225-Y227 PolarHBondContact O-N 3Å; P225-Y227 VanDerWaalsContact O-N 3.12Å |
| 228 | S | 43.2 | Very low | 44.8 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | trans | -64.5 | 133.5 | 173 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | K230 | S228-K230 VanDerWaalsContact C-N 3.32Å; S228-K230 PolarHBondContact O-N 3.17Å |
| 229 | P | 51 | Low | 45.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | trans | -74 | 79 | -173.4 | 30.6 | -36.2 | 0 | 0 | 0 | 112.4 | L231 | P229-L231 PolarHBondContact O-N 2.88Å; P229-L231 VanDerWaalsContact O-N 3.1Å |
| 230 | K | 40.9 | Very low | 44.8 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | trans | -58.3 | 112.1 | 170.5 | -69.1 | 175.8 | -179.9 | 172.9 | 0 | 109.9 | S228 H232 | S228-K230 VanDerWaalsContact C-N 3.32Å; S228-K230 PolarHBondContact O-N 3.17Å; K230-H232 PolarHBondContact O-N 3.34Å |
| 231 | L | 54.8 | Low | 46.1 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | | | trans | -74.1 | 59.8 | -179.4 | -61.1 | -175.1 | 0 | 0 | 0 | 113.3 | P229 | P229-L231 PolarHBondContact O-N 2.88Å; P229-L231 VanDerWaalsContact O-N 3.1Å |
| 232 | H | 48.5 | Very low | 47.3 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 63% | 0.63 | 74% | 0.735 | S | S | * | * | | | trans | -105.8 | 53.7 | 161.5 | -168.5 | 72.1 | 0 | 0 | 0 | 110.4 | K230 K234 | K230-H232 PolarHBondContact O-N 3.34Å; H232-K234 WeakPolarHBondContact NE2-CD 3.09Å; H232-K234 PolarHBondContact O-N 2.89Å |
| 233 | N | 39.3 | Very low | 49.5 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | | | trans | -73.6 | 81.9 | 168.5 | -170.9 | 8.4 | 0 | 0 | 0 | 109.3 | M235 | N233-M235 PolarHBondContact O-N 2.95Å; N233-M235 WeakPolarHBondContact OD1-CA 3.3Å; N233-M235 WeakPolarHBondContact OD1-CB 3.4Å; N233-M235 PolarHBondContact OD1-N 3.36Å |
| 234 | K | 49 | Very low | 51.9 | Low | 169 Ų | 169 | 131 Ų | 131 | 74% | 0.735 | 69% | 0.693 | S | S | * | * | | | trans | -70.1 | 55.2 | 163.4 | 53.6 | 175.9 | 167.4 | -165.8 | 0 | 110.5 | H232 R236 | H232-K234 WeakPolarHBondContact NE2-CD 3.09Å; H232-K234 PolarHBondContact O-N 2.89Å; K234-R236 PolarHBondContact O-N 2.77Å; K234-R236 VanDerWaalsContact O-N 3.14Å |
| 235 | M | 45.3 | Very low | 54.5 | Low | 117 Ų | 117 | 125.6 Ų | 125.6 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | | | trans | -55.6 | 117.9 | 175 | -162.1 | 148.6 | 56.3 | 0 | 0 | 107.2 | N233 I237 | N233-M235 PolarHBondContact O-N 2.95Å; N233-M235 WeakPolarHBondContact OD1-CA 3.3Å; N233-M235 WeakPolarHBondContact OD1-CB 3.4Å; N233-M235 PolarHBondContact OD1-N 3.36Å; M235-I237 PolarHBondContact O-N 3.37Å |
| 236 | R | 47.1 | Very low | 56.6 | Low | 240 Ų | 240 | 123.6 Ų | 123.6 | 91% | 0.906 | 64% | 0.64 | S | S | * | * | | | trans | -61 | 99.5 | 157.7 | -82.7 | -171.9 | 178.2 | 176.8 | 1.2 | 105.4 | K234 S238 | K234-R236 PolarHBondContact O-N 2.77Å; K234-R236 VanDerWaalsContact O-N 3.14Å; R236-S238 PolarHBondContact O-N 3.1Å |
| 237 | I | 45.5 | Very low | 58.6 | Low | 120 Ų | 120 | 118.7 Ų | 118.7 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | | | trans | -67.7 | 88 | 170 | -63.4 | 135.1 | 0 | 0 | 0 | 105.5 | M235 T239 P240 | M235-I237 PolarHBondContact O-N 3.37Å; I237-T239 VanDerWaalsContact C-N 3.33Å; I237-T239 PolarHBondContact O-N 3.34Å; I237-P240 HydrophobicContact CG2-CG 4.47Å |
| 238 | S | 43.2 | Very low | 60.8 | Low | 109 Ų | 109 | 111.2 Ų | 111.2 | 76% | 0.762 | 58% | 0.578 | S | S | * | * | | | trans | -51.4 | 104.2 | 159.8 | 35.1 | 0 | 0 | 0 | 0 | 105.8 | R236 P240 | R236-S238 PolarHBondContact O-N 3.1Å; S238-P240 WeakPolarHBondContact O-CD 3.47Å |
| 239 | T | 45.3 | Very low | 62.9 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 78% | 0.779 | 56% | 0.557 | S | S | * | * | | | trans | -55.5 | 107.3 | -157.3 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | I237 E241 | I237-T239 VanDerWaalsContact C-N 3.33Å; I237-T239 PolarHBondContact O-N 3.34Å; T239-E241 PolarHBondContact O-N 2.71Å |
| 240 | P | 50.7 | Low | 64.8 | Low | 86 Ų | 86 | 104.5 Ų | 104.5 | 56% | 0.558 | 54% | 0.538 | S | S | * | . | | | trans | -65.4 | 118.5 | 177.9 | 26.8 | -32 | 0 | 0 | 0 | 105.7 | I237 S238 A242 | I237-P240 HydrophobicContact CG2-CG 4.47Å; S238-P240 WeakPolarHBondContact O-CD 3.47Å; P240-A242 WeakPolarHBondContact O-CA 3.31Å; P240-A242 PolarHBondContact O-N 3.18Å |
| 241 | E | 61.2 | Low | 67.2 | Low | 172 Ų | 172 | 101.2 Ų | 101.2 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | | | trans | -47.5 | 112.4 | -168.3 | -170.7 | -174.6 | 167.3 | 0 | 0 | 109.6 | T239 R243 | T239-E241 PolarHBondContact O-N 2.71Å; E241-R243 VanDerWaalsContact C-N 3.29Å; E241-R243 PolarHBondContact O-N 3.01Å |
| 242 | A | 71.4 | Confident | 68.8 | Low | 71 Ų | 71 | 97 Ų | 97 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | | | trans | -75.5 | 85.3 | -155 | 0 | 0 | 0 | 0 | 0 | 110.1 | P240 E244 | P240-A242 WeakPolarHBondContact O-CA 3.31Å; P240-A242 PolarHBondContact O-N 3.18Å; A242-E244 PolarHBondContact O-N 3.33Å |
| 243 | R | 87.6 | Confident | 70.9 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | | | trans | -47.3 | 112.1 | -179.6 | -63.8 | 124.9 | -164.9 | -165.6 | 2.7 | 108.2 | E241 W256 | E241-R243 VanDerWaalsContact C-N 3.29Å; E241-R243 PolarHBondContact O-N 3.01Å; R243-W256 HydrophobicContact CB-CH2 4.29Å; R243-W256 HydrophobicContact CB-CZ2 4.01Å; R243-W256 WeakPolarHBondContact O-CH2 3.49Å; R243-W256 WeakPolarHBondContact O-CZ2 3.47Å |
| 244 | E | 92.1 | Very high | 73.4 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | | | trans | -105.2 | 140.7 | 176.2 | 67.1 | 159 | -143.9 | 0 | 0 | 110.5 | A242 V246 T251 K286 | A242-E244 PolarHBondContact O-N 3.33Å; E244-V246 PolarHBondContact O-N 3.46Å; E244-T251 HydrophobicContact CB-CG2 4.3Å; E244-K286 IonicContact OE1-NZ 2.66Å; E244-K286 PolarHBondContact OE1-NZ 2.66Å; E244-K286 IonicContact OE2-NZ 3.85Å; E244-K286 PolarHBondContact OE2-NZ 3.23Å |
| 245 | C | 92.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 50% | 0.496 | C | S | . | . | | | trans | -61.7 | 118.9 | 171.7 | 173 | 0 | 0 | 0 | 0 | 109.9 | N247 C248 G249 A250 W256 Y264 C266 | C245-N247 PolarHBondContact O-N 3.07Å; C245-N247 VanDerWaalsContact O-N 3.11Å; C245-C248 PolarHBondContact O-N 2.96Å; C245-C248 PolarHBondContact SG-SG 3.08Å; C245-G249 WeakPolarHBondContact O-CA 3.3Å; C245-G249 PolarHBondContact O-N 3.46Å; C245-A250 HydrophobicContact CB-CB 4.44Å; C245-A250 PolarHBondContact N-O 3.4Å; C245-W256 HydrophobicContact CB-CZ3 4.2Å; C245-Y264 WeakPolarHBondContact CA-O 3.5Å; C245-C266 HydrophobicContact CB-CB 3.9Å; C245-C266 PolarHBondContact SG-N 3.16Å |
| 246 | V | 91 | Very high | 77.8 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.4 | -175.7 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | E244 H263 Y264 L265 | E244-V246 PolarHBondContact O-N 3.46Å; V246-H263 HydrophobicContact CG1-CB 3.97Å; V246-H263 HydrophobicContact CG2-CB 3.79Å; V246-Y264 PolarHBondContact N-O 2.73Å; V246-L265 HydrophobicContact CG2-CD2 3.7Å |
| 247 | N | 88.9 | Confident | 80.1 | Confident | 26 Ų | 26 | 79.7 Ų | 79.7 | 14% | 0.139 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -62.4 | 173.2 | 173 | -75.7 | 0 | 0 | 0 | 112.7 | C245 L265 C269 N279 R280 | C245-N247 PolarHBondContact O-N 3.07Å; C245-N247 VanDerWaalsContact O-N 3.11Å; N247-L265 HydrophobicContact CB-CD2 3.87Å; N247-C269 HydrophobicContact CB-CB 4.08Å; N247-C269 PolarHBondContact OD1-SG 3.4Å; N247-N279 WeakPolarHBondContact ND2-CB 3.38Å; N247-N279 PolarHBondContact ND2-OD1 3.27Å; N247-R280 PolarHBondContact ND2-N 3.5Å; N247-R280 VanDerWaalsContact ND2-N 3.19Å; N247-R280 PolarHBondContact ND2-O 3.5Å |
| 248 | C | 88.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 18% | 0.176 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -15.7 | -168 | 68.8 | 0 | 0 | 0 | 0 | 116.1 | C245 L282 | C245-C248 PolarHBondContact O-N 2.96Å; C245-C248 PolarHBondContact SG-SG 3.08Å; C248-L282 HydrophobicContact CB-CD1 4.23Å; C248-L282 HydrophobicContact CB-CD2 4.03Å; C248-L282 HydrophobicContact CB-CG 4.29Å |
| 249 | G | 88.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 78 Ų | 78 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | | | trans | 78.8 | 11.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.5 | C245 T251 K286 | C245-G249 WeakPolarHBondContact O-CA 3.3Å; C245-G249 PolarHBondContact O-N 3.46Å; G249-T251 PolarHBondContact O-N 3.43Å; G249-K286 VanDerWaalsContact CA-CE 3.48Å |
| 250 | A | 89.6 | Confident | 86.5 | Confident | 34 Ų | 34 | 76.4 Ų | 76.4 | 28% | 0.281 | 44% | 0.437 | S | S | . | . | | | trans | -61.1 | 123.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | C245 W256 C266 | C245-A250 HydrophobicContact CB-CB 4.44Å; C245-A250 PolarHBondContact N-O 3.4Å; A250-W256 WeakPolarHBondContact O-CH2 3.16Å; A250-C266 HydrophobicContact CB-CB 4.35Å |
| 251 | T | 91.7 | Very high | 88.3 | Confident | 92 Ų | 92 | 76 Ų | 76 | 56% | 0.564 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -88.3 | -15.4 | 174.6 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | E244 G249 | E244-T251 HydrophobicContact CB-CG2 4.3Å; G249-T251 PolarHBondContact O-N 3.43Å |
| 252 | A | 89.4 | Confident | 89.7 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | | | trans | -123.3 | 144.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 253 | T | 91.8 | Very high | 90.6 | Very high | 34 Ų | 34 | 70.4 Ų | 70.4 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | | | trans | -161.2 | 146.2 | 177.4 | -173.9 | 0 | 0 | 0 | 0 | 109.6 | L255 W256 C266 N267 | T253-L255 WeakPolarHBondContact CG2-O 3.42Å; T253-L255 PolarHBondContact O-N 2.93Å; T253-L255 PolarHBondContact OG1-O 2.9Å; T253-W256 HydrophobicContact CG2-CD2 3.45Å; T253-W256 VanDerWaalsContact CG2-CD2 3.45Å; T253-W256 VanDerWaalsContact CG2-CE2 3.43Å; T253-W256 HydrophobicContact CG2-CE3 3.84Å; T253-W256 HydrophobicContact CG2-CG 3.84Å; T253-W256 HydrophobicContact CG2-CH2 4.13Å; T253-W256 HydrophobicContact CG2-CZ2 3.79Å; T253-W256 HydrophobicContact CG2-CZ3 4.16Å; T253-C266 HydrophobicContact CG2-CB 4.1Å; T253-C266 WeakPolarHBondContact OG1-CB 3.39Å; T253-N267 PolarHBondContact OG1-N 2.82Å |
| 254 | P | 91.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 67.6 Ų | 67.6 | 82% | 0.818 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -66.7 | -19.2 | 176.9 | 26.2 | -36.3 | 0 | 0 | 0 | 113.7 | N267 | P254-N267 HydrophobicContact CG-CB 4.44Š|
| 255 | L | 92.9 | Very high | 91 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -151.9 | 127.1 | 172.3 | 178.6 | 62.5 | 0 | 0 | 0 | 110.4 | T253 N267 | T253-L255 WeakPolarHBondContact CG2-O 3.42Å; T253-L255 PolarHBondContact O-N 2.93Å; T253-L255 PolarHBondContact OG1-O 2.9Å; L255-N267 HydrophobicContact CB-CB 4.13Å; L255-N267 WeakPolarHBondContact O-CA 3.38Å; L255-N267 WeakPolarHBondContact O-CB 3.43Å; L255-N267 PolarHBondContact O-N 3.02Å |
| 256 | W | 94.6 | Very high | 91.1 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 134.5 | 167.9 | -74.7 | 108.3 | 0 | 0 | 0 | 110.6 | R243 C245 A250 T253 Y264 | R243-W256 HydrophobicContact CB-CH2 4.29Å; R243-W256 HydrophobicContact CB-CZ2 4.01Å; R243-W256 WeakPolarHBondContact O-CH2 3.49Å; R243-W256 WeakPolarHBondContact O-CZ2 3.47Å; C245-W256 HydrophobicContact CB-CZ3 4.2Å; A250-W256 WeakPolarHBondContact O-CH2 3.16Å; T253-W256 HydrophobicContact CG2-CD2 3.45Å; T253-W256 VanDerWaalsContact CG2-CD2 3.45Å; T253-W256 VanDerWaalsContact CG2-CE2 3.43Å; T253-W256 HydrophobicContact CG2-CE3 3.84Å; T253-W256 HydrophobicContact CG2-CG 3.84Å; T253-W256 HydrophobicContact CG2-CH2 4.13Å; T253-W256 HydrophobicContact CG2-CZ2 3.79Å; T253-W256 HydrophobicContact CG2-CZ3 4.16Å; W256-Y264 HydrophobicContact CE3-CD1 4.49Å |
| 257 | R | 94.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 63 Ų | 63 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 154.3 | 171.7 | -63.2 | -176.9 | 179.8 | -80.3 | -1.7 | 108.9 | L265 N267 | R257-L265 PolarHBondContact N-O 3.14Å; R257-L265 PolarHBondContact O-N 3.39Å; R257-N267 VanDerWaalsContact CZ-OD1 3.27Å; R257-N267 PolarHBondContact NE-OD1 3.25Å; R257-N267 PolarHBondContact NH2-OD1 3.17Å |
| 258 | R | 93.9 | Very high | 91.5 | Very high | 153 Ų | 153 | 63.7 Ų | 63.7 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.3 | 166.7 | -64.2 | -175 | -176.3 | -78.5 | 0.1 | 109.7 | G262 H263 Y264 | R258-G262 PolarHBondContact NH1-O 2.89Å; R258-H263 VanDerWaalsContact CA-O 3.31Å; R258-H263 WeakPolarHBondContact CA-O 3.19Å; R258-Y264 VanDerWaalsContact NH1-CE1 3.3Å; R258-Y264 PolarHBondContact NH1-OH 3.12Å; R258-Y264 PolarHBondContact NH2-OH 3.46Å |
| 259 | D | 87.1 | Confident | 91.8 | Very high | 40 Ų | 40 | 62.5 Ų | 62.5 | 21% | 0.214 | 37% | 0.371 | C | S | . | . | | | trans | -82.5 | 173.5 | 161.2 | 69.4 | 21.6 | 0 | 0 | 0 | 111.1 | T261 G262 H263 L265 | D259-T261 PolarHBondContact O-N 3.15Å; D259-T261 VanDerWaalsContact OD1-CA 3.24Å; D259-T261 WeakPolarHBondContact OD1-CA 3.33Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 PolarHBondContact OD1-N 3.36Å; D259-T261 PolarHBondContact OD1-OG1 3.38Å; D259-T261 PolarHBondContact OD2-OG1 2.85Å; D259-G262 PolarHBondContact O-N 3.01Å; D259-G262 PolarHBondContact OD1-N 3.1Å; D259-H263 PolarHBondContact N-O 2.83Å; D259-H263 VanDerWaalsContact N-O 3.12Å; D259-H263 IonicContact OD1-CG 3.61Å; D259-H263 PolarHBondContact OD1-N 3.36Å; D259-H263 IonicContact OD1-ND1 2.99Å; D259-H263 PolarHBondContact OD1-ND1 3.31Å; D259-H263 WeakPolarHBondContact OD2-CB 3.45Å; D259-H263 IonicContact OD2-CG 3.33Å; D259-H263 IonicContact OD2-ND1 2.74Å; D259-H263 PolarHBondContact OD2-ND1 3.09Å; D259-L265 HydrophobicContact CB-CD1 4.06Å |
| 260 | G | 87.3 | Confident | 92 | Very high | 94 Ų | 94 | 62.3 Ų | 62.3 | 97% | 0.969 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 4.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 261 | T | 89.7 | Confident | 92.1 | Very high | 78 Ų | 78 | 64 Ų | 64 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 11.9 | 171.7 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | D259 H263 | D259-T261 PolarHBondContact O-N 3.15Å; D259-T261 VanDerWaalsContact OD1-CA 3.24Å; D259-T261 WeakPolarHBondContact OD1-CA 3.33Å; D259-T261 WeakPolarHBondContact OD1-CB 3.47Å; D259-T261 PolarHBondContact OD1-N 3.36Å; D259-T261 PolarHBondContact OD1-OG1 3.38Å; D259-T261 PolarHBondContact OD2-OG1 2.85Å; T261-H263 PolarHBondContact O-N 3.14Å; T261-H263 PolarHBondContact OG1-CE1 3.17Å; T261-H263 PolarHBondContact OG1-ND1 3.2Å |
| 262 | G | 89.1 | Confident | 92.2 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | | | trans | 85.1 | -9.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R258 D259 | R258-G262 PolarHBondContact NH1-O 2.89Å; D259-G262 PolarHBondContact O-N 3.01Å; D259-G262 PolarHBondContact OD1-N 3.1Å |
| 263 | H | 92.3 | Very high | 92.2 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 43% | 0.431 | 34% | 0.344 | S | S | . | . | | | trans | -67.4 | 145.4 | -174.5 | -54.6 | 106.6 | 0 | 0 | 0 | 112.6 | V246 R258 D259 T261 L265 | V246-H263 HydrophobicContact CG1-CB 3.97Å; V246-H263 HydrophobicContact CG2-CB 3.79Å; R258-H263 VanDerWaalsContact CA-O 3.31Å; R258-H263 WeakPolarHBondContact CA-O 3.19Å; D259-H263 PolarHBondContact N-O 2.83Å; D259-H263 VanDerWaalsContact N-O 3.12Å; D259-H263 IonicContact OD1-CG 3.61Å; D259-H263 PolarHBondContact OD1-N 3.36Å; D259-H263 IonicContact OD1-ND1 2.99Å; D259-H263 PolarHBondContact OD1-ND1 3.31Å; D259-H263 WeakPolarHBondContact OD2-CB 3.45Å; D259-H263 IonicContact OD2-CG 3.33Å; D259-H263 IonicContact OD2-ND1 2.74Å; D259-H263 PolarHBondContact OD2-ND1 3.09Å; T261-H263 PolarHBondContact O-N 3.14Å; T261-H263 PolarHBondContact OG1-CE1 3.17Å; T261-H263 PolarHBondContact OG1-ND1 3.2Å; H263-L265 PolarHBondContact O-N 3.22Å |
| 264 | Y | 93.8 | Very high | 92.1 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 33% | 0.333 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.1 | 176 | -61.9 | -79.2 | 0 | 0 | 0 | 112 | C245 V246 W256 R258 | C245-Y264 WeakPolarHBondContact CA-O 3.5Å; V246-Y264 PolarHBondContact N-O 2.73Å; W256-Y264 HydrophobicContact CE3-CD1 4.49Å; R258-Y264 VanDerWaalsContact NH1-CE1 3.3Å; R258-Y264 PolarHBondContact NH1-OH 3.12Å; R258-Y264 PolarHBondContact NH2-OH 3.46Å |
| 265 | L | 93.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140.4 | 170.9 | -67.4 | 176.5 | 0 | 0 | 0 | 109.8 | V246 N247 R257 D259 H263 C269 | V246-L265 HydrophobicContact CG2-CD2 3.7Å; N247-L265 HydrophobicContact CB-CD2 3.87Å; R257-L265 PolarHBondContact N-O 3.14Å; R257-L265 PolarHBondContact O-N 3.39Å; D259-L265 HydrophobicContact CB-CD1 4.06Å; H263-L265 PolarHBondContact O-N 3.22Å; L265-C269 HydrophobicContact CD2-CB 4.35Å |
| 266 | C | 95.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 156.8 | 168.6 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | C245 A250 T253 A268 C269 G270 | C245-C266 HydrophobicContact CB-CB 3.9Å; C245-C266 PolarHBondContact SG-N 3.16Å; A250-C266 HydrophobicContact CB-CB 4.35Å; T253-C266 HydrophobicContact CG2-CB 4.1Å; T253-C266 WeakPolarHBondContact OG1-CB 3.39Å; C266-A268 VanDerWaalsContact C-N 3.27Å; C266-A268 PolarHBondContact O-N 3.34Å; C266-A268 VanDerWaalsContact O-N 3.13Å; C266-C269 PolarHBondContact O-N 3.15Å; C266-C269 PolarHBondContact SG-SG 3.02Å; C266-G270 PolarHBondContact O-N 3.02Å |
| 267 | N | 95.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 22% | 0.219 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -46.9 | -49.4 | -175.2 | -170.3 | 25.5 | 0 | 0 | 0 | 112.7 | T253 P254 L255 R257 C269 G270 L271 | T253-N267 PolarHBondContact OG1-N 2.82Å; P254-N267 HydrophobicContact CG-CB 4.44Å; L255-N267 HydrophobicContact CB-CB 4.13Å; L255-N267 WeakPolarHBondContact O-CA 3.38Å; L255-N267 WeakPolarHBondContact O-CB 3.43Å; L255-N267 PolarHBondContact O-N 3.02Å; R257-N267 VanDerWaalsContact CZ-OD1 3.27Å; R257-N267 PolarHBondContact NE-OD1 3.25Å; R257-N267 PolarHBondContact NH2-OD1 3.17Å; N267-C269 PolarHBondContact O-N 3.37Å; N267-G270 PolarHBondContact O-N 3.32Å; N267-L271 WeakPolarHBondContact O-CB 3.24Å; N267-L271 VanDerWaalsContact O-CG 3.29Å; N267-L271 WeakPolarHBondContact O-CG 3.46Å; N267-L271 PolarHBondContact O-N 2.96Å; N267-L271 WeakPolarHBondContact OD1-CD1 3.36Å |
| 268 | A | 92.8 | Very high | 91 | Very high | 40 Ų | 40 | 66.6 Ų | 66.6 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C266 Y272 | C266-A268 VanDerWaalsContact C-N 3.27Å; C266-A268 PolarHBondContact O-N 3.34Å; C266-A268 VanDerWaalsContact O-N 3.13Å; A268-Y272 VanDerWaalsContact O-CB 3.3Å; A268-Y272 WeakPolarHBondContact O-CB 3.24Å; A268-Y272 PolarHBondContact O-N 2.97Å; A268-Y272 VanDerWaalsContact O-N 3.09Å |
| 269 | C | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.9 | -36 | 178.4 | -65.5 | 0 | 0 | 0 | 0 | 112 | N247 L265 C266 N267 H273 | N247-C269 HydrophobicContact CB-CB 4.08Å; N247-C269 PolarHBondContact OD1-SG 3.4Å; L265-C269 HydrophobicContact CD2-CB 4.35Å; C266-C269 PolarHBondContact O-N 3.15Å; C266-C269 PolarHBondContact SG-SG 3.02Å; N267-C269 PolarHBondContact O-N 3.37Å; C269-H273 VanDerWaalsContact O-CB 3.28Å; C269-H273 WeakPolarHBondContact O-CB 3.4Å; C269-H273 PolarHBondContact O-N 3.03Å |
| 270 | G | 93.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 11% | 0.113 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C266 N267 K274 | C266-G270 PolarHBondContact O-N 3.02Å; N267-G270 PolarHBondContact O-N 3.32Å; G270-K274 WeakPolarHBondContact O-CB 3.31Å; G270-K274 PolarHBondContact O-N 3.12Å |
| 271 | L | 92.3 | Very high | 90.1 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 173.3 | -74.4 | 170.4 | 0 | 0 | 0 | 111.8 | N267 H273 K274 M275 | N267-L271 WeakPolarHBondContact O-CB 3.24Å; N267-L271 VanDerWaalsContact O-CG 3.29Å; N267-L271 WeakPolarHBondContact O-CG 3.46Å; N267-L271 PolarHBondContact O-N 2.96Å; N267-L271 WeakPolarHBondContact OD1-CD1 3.36Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.05Å; L271-K274 PolarHBondContact O-N 2.9Å; L271-M275 HydrophobicContact CB-CE 4.18Å; L271-M275 WeakPolarHBondContact O-CE 3.19Å; L271-M275 PolarHBondContact O-N 3.23Å |
| 272 | Y | 92.6 | Very high | 89.6 | Confident | 66 Ų | 66 | 64.5 Ų | 64.5 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 175.8 | -170.5 | -78.9 | 0 | 0 | 0 | 111.4 | A268 K274 M275 N276 Q278 R280 P281 | A268-Y272 VanDerWaalsContact O-CB 3.3Å; A268-Y272 WeakPolarHBondContact O-CB 3.24Å; A268-Y272 PolarHBondContact O-N 2.97Å; A268-Y272 VanDerWaalsContact O-N 3.09Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.08Å; Y272-M275 PolarHBondContact O-N 3.15Å; Y272-N276 HydrophobicContact CD1-CB 4.14Å; Y272-N276 VanDerWaalsContact CD2-OD1 3.28Å; Y272-N276 WeakPolarHBondContact CD2-OD1 3.31Å; Y272-N276 HydrophobicContact CE1-CB 3.76Å; Y272-N276 WeakPolarHBondContact CE1-OD1 3.49Å; Y272-N276 WeakPolarHBondContact CE2-OD1 3.49Å; Y272-N276 VanDerWaalsContact CZ-OD1 3.27Å; Y272-N276 WeakPolarHBondContact O-CB 3.34Å; Y272-N276 PolarHBondContact O-N 2.76Å; Y272-N276 PolarHBondContact O-OD1 3.03Å; Y272-Q278 WeakPolarHBondContact CD1-O 3.46Å; Y272-R280 HydrophobicContact CD1-CB 3.79Å; Y272-R280 HydrophobicContact CD1-CG 4.28Å; Y272-R280 HydrophobicContact CD2-CB 4.33Å; Y272-R280 HydrophobicContact CD2-CG 3.91Å; Y272-R280 HydrophobicContact CE1-CB 4.39Å; Y272-R280 HydrophobicContact CE2-CG 4.42Å; Y272-R280 HydrophobicContact CG-CB 3.76Å; Y272-R280 HydrophobicContact CG-CG 3.84Å; Y272-P281 WeakPolarHBondContact OH-CD 3.42Å |
| 273 | H | 90.5 | Very high | 88.8 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 36% | 0.356 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 177.4 | -170.9 | -92.1 | 0 | 0 | 0 | 112.7 | C269 L271 G277 Q278 | C269-H273 VanDerWaalsContact O-CB 3.28Å; C269-H273 WeakPolarHBondContact O-CB 3.4Å; C269-H273 PolarHBondContact O-N 3.03Å; L271-H273 VanDerWaalsContact C-N 3.34Å; L271-H273 PolarHBondContact O-N 3.05Å; H273-G277 VanDerWaalsContact O-CA 3.31Å; H273-G277 WeakPolarHBondContact O-CA 3.48Å; H273-G277 PolarHBondContact O-N 2.88Å; H273-G277 VanDerWaalsContact O-N 3.09Å; H273-Q278 WeakPolarHBondContact CA-O 3.38Å |
| 274 | K | 89.9 | Confident | 87.6 | Confident | 185 Ų | 185 | 77 Ų | 77 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67.1 | -41.4 | 175.1 | -170.8 | -179.5 | 178.9 | -174.5 | 0 | 112.3 | G270 L271 Y272 | G270-K274 WeakPolarHBondContact O-CB 3.31Å; G270-K274 PolarHBondContact O-N 3.12Å; L271-K274 PolarHBondContact O-N 2.9Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.08Å |
| 275 | M | 86.3 | Confident | 86.1 | Confident | 136 Ų | 136 | 78 Ų | 78 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -85 | -38.3 | -175.3 | 77.9 | -177.6 | 73.3 | 0 | 0 | 113.8 | L271 Y272 | L271-M275 HydrophobicContact CB-CE 4.18Å; L271-M275 WeakPolarHBondContact O-CE 3.19Å; L271-M275 PolarHBondContact O-N 3.23Å; Y272-M275 PolarHBondContact O-N 3.15Å |
| 276 | N | 89.8 | Confident | 84.8 | Confident | 80 Ų | 80 | 80.9 Ų | 80.9 | 43% | 0.428 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -98.9 | -8.9 | -176.4 | -58.9 | 108 | 0 | 0 | 0 | 113.6 | Y272 Q278 | Y272-N276 HydrophobicContact CD1-CB 4.14Å; Y272-N276 VanDerWaalsContact CD2-OD1 3.28Å; Y272-N276 WeakPolarHBondContact CD2-OD1 3.31Å; Y272-N276 HydrophobicContact CE1-CB 3.76Å; Y272-N276 WeakPolarHBondContact CE1-OD1 3.49Å; Y272-N276 WeakPolarHBondContact CE2-OD1 3.49Å; Y272-N276 VanDerWaalsContact CZ-OD1 3.27Å; Y272-N276 WeakPolarHBondContact O-CB 3.34Å; Y272-N276 PolarHBondContact O-N 2.76Å; Y272-N276 PolarHBondContact O-OD1 3.03Å; N276-Q278 PolarHBondContact O-N 2.98Å |
| 277 | G | 86 | Confident | 83.1 | Confident | 35 Ų | 35 | 89.8 Ų | 89.8 | 36% | 0.361 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 59.5 | 19.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H273 | H273-G277 VanDerWaalsContact O-CA 3.31Å; H273-G277 WeakPolarHBondContact O-CA 3.48Å; H273-G277 PolarHBondContact O-N 2.88Å; H273-G277 VanDerWaalsContact O-N 3.09Å |
| 278 | Q | 86.8 | Confident | 81.4 | Confident | 66 Ų | 66 | 96 Ų | 96 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -142.6 | 163.5 | -176.2 | -73.8 | -62.4 | -86.2 | 0 | 0 | 110.5 | Y272 H273 N276 N352 | Y272-Q278 WeakPolarHBondContact CD1-O 3.46Å; H273-Q278 WeakPolarHBondContact CA-O 3.38Å; N276-Q278 PolarHBondContact O-N 2.98Å; Q278-N352 PolarHBondContact NE2-ND2 2.75Å; Q278-N352 PolarHBondContact NE2-OD1 3.02Å; Q278-N352 VanDerWaalsContact NE2-OD1 3.17Å; Q278-N352 PolarHBondContact OE1-ND2 3.15Å |
| 279 | N | 84.2 | Confident | 79.8 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 29% | 0.289 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 139.7 | 178.2 | -88.5 | -80.3 | 0 | 0 | 0 | 111.7 | N247 V350 | N247-N279 WeakPolarHBondContact ND2-CB 3.38Å; N247-N279 PolarHBondContact ND2-OD1 3.27Å; N279-V350 HydrophobicContact CB-CG2 4.02Å |
| 280 | R | 84.7 | Confident | 78.3 | Confident | 113 Ų | 113 | 107 Ų | 107 | 43% | 0.426 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -58 | 125.1 | 176.4 | -168.3 | 177.6 | -175.3 | -149.9 | 2.1 | 110.3 | N247 Y272 L282 | N247-R280 PolarHBondContact ND2-N 3.5Å; N247-R280 VanDerWaalsContact ND2-N 3.19Å; N247-R280 PolarHBondContact ND2-O 3.5Å; Y272-R280 HydrophobicContact CD1-CB 3.79Å; Y272-R280 HydrophobicContact CD1-CG 4.28Å; Y272-R280 HydrophobicContact CD2-CB 4.33Å; Y272-R280 HydrophobicContact CD2-CG 3.91Å; Y272-R280 HydrophobicContact CE1-CB 4.39Å; Y272-R280 HydrophobicContact CE2-CG 4.42Å; Y272-R280 HydrophobicContact CG-CB 3.76Å; Y272-R280 HydrophobicContact CG-CG 3.84Å; R280-L282 PolarHBondContact O-N 3.44Å |
| 281 | P | 81.1 | Confident | 76.7 | Confident | 84 Ų | 84 | 112 Ų | 112 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 126.9 | 175 | 27.5 | -32.8 | 0 | 0 | 0 | 109.7 | Y272 I283 | Y272-P281 WeakPolarHBondContact OH-CD 3.42Å; P281-I283 PolarHBondContact O-N 3.2Å |
| 282 | L | 78.9 | Confident | 75 | Confident | 70 Ų | 70 | 113.1 Ų | 113.1 | 37% | 0.366 | 56% | 0.56 | S | S | . | * | | | trans | -85 | 106.2 | 175.1 | -82.3 | 92.5 | 0 | 0 | 0 | 110.2 | C248 R280 R284 K286 | C248-L282 HydrophobicContact CB-CD1 4.23Å; C248-L282 HydrophobicContact CB-CD2 4.03Å; C248-L282 HydrophobicContact CB-CG 4.29Å; R280-L282 PolarHBondContact O-N 3.44Å; L282-R284 PolarHBondContact O-N 3.39Å; L282-R284 VanDerWaalsContact O-N 3.15Å; L282-K286 HydrophobicContact CD2-CB 4.18Å |
| 283 | I | 72.3 | Confident | 73.5 | Confident | 178 Ų | 178 | 117.6 Ų | 117.6 | 91% | 0.913 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -54.9 | -30 | 174.1 | -61.4 | 169.1 | 0 | 0 | 0 | 111.6 | P281 | P281-I283 PolarHBondContact O-N 3.2Š|
| 284 | R | 67.9 | Low | 72.4 | Confident | 211 Ų | 211 | 121.5 Ų | 121.5 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -124.9 | 118.9 | 173.8 | -164.3 | 168.5 | -179.3 | 84.9 | -11.3 | 108.5 | L282 K286 | L282-R284 PolarHBondContact O-N 3.39Å; L282-R284 VanDerWaalsContact O-N 3.15Å; R284-K286 PolarHBondContact O-N 3.28Å |
| 285 | P | 62.4 | Low | 71.5 | Confident | 106 Ų | 106 | 117.5 Ų | 117.5 | 69% | 0.688 | 59% | 0.594 | S | S | * | * | | | trans | -61.9 | 136.3 | -174.2 | 24 | -33.5 | 0 | 0 | 0 | 110.9 | K287 | P285-K287 PolarHBondContact O-N 2.74Š|
| 286 | K | 65.3 | Low | 71.4 | Confident | 66 Ų | 66 | 114.9 Ų | 114.9 | 29% | 0.287 | 60% | 0.602 | S | S | . | * | | | trans | -54.7 | 111.7 | 178.7 | -179 | -178.4 | 178.7 | 173.3 | 0 | 109.3 | E244 G249 L282 R284 R288 | E244-K286 IonicContact OE1-NZ 2.66Å; E244-K286 PolarHBondContact OE1-NZ 2.66Å; E244-K286 IonicContact OE2-NZ 3.85Å; E244-K286 PolarHBondContact OE2-NZ 3.23Å; G249-K286 VanDerWaalsContact CA-CE 3.48Å; L282-K286 HydrophobicContact CD2-CB 4.18Å; R284-K286 PolarHBondContact O-N 3.28Å; K286-R288 HydrophobicContact CD-CG 3.76Å; K286-R288 HydrophobicContact CG-CG 3.96Å; K286-R288 PolarHBondContact O-N 2.76Å |
| 287 | K | 59.8 | Low | 71.6 | Confident | 195 Ų | 195 | 112.7 Ų | 112.7 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | | | trans | -63.9 | 79.1 | 159.8 | -78.8 | -169.4 | 175.5 | -174.4 | 0 | 107.7 | P285 L289 | P285-K287 PolarHBondContact O-N 2.74Å; K287-L289 PolarHBondContact O-N 3.41Å |
| 288 | R | 59.8 | Low | 72 | Confident | 172 Ų | 172 | 115.2 Ų | 115.2 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | | | trans | -59.7 | 111.4 | 163 | -71.9 | -172.2 | 70.1 | 126.6 | 3.6 | 105 | K286 I290 | K286-R288 HydrophobicContact CD-CG 3.76Å; K286-R288 HydrophobicContact CG-CG 3.96Å; K286-R288 PolarHBondContact O-N 2.76Å; R288-I290 PolarHBondContact O-N 3.43Å; R288-I290 VanDerWaalsContact O-N 3.15Å |
| 289 | L | 59.5 | Low | 72.5 | Confident | 160 Ų | 160 | 112.1 Ų | 112.1 | 84% | 0.838 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125.6 | 166.7 | -65.2 | 176.6 | 0 | 0 | 0 | 106.5 | K287 V291 | K287-L289 PolarHBondContact O-N 3.41Å; L289-V291 PolarHBondContact O-N 3.44Å; L289-V291 VanDerWaalsContact O-N 3.12Å |
| 290 | I | 60.5 | Low | 73.1 | Confident | 111 Ų | 111 | 111.3 Ų | 111.3 | 57% | 0.569 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.8 | 173.7 | -59.2 | 170.2 | 0 | 0 | 0 | 104.6 | R288 S292 I343 | R288-I290 PolarHBondContact O-N 3.43Å; R288-I290 VanDerWaalsContact O-N 3.15Å; I290-S292 PolarHBondContact O-N 3.43Å; I290-S292 VanDerWaalsContact O-N 3.08Å; I290-I343 HydrophobicContact CG2-CD1 4.49Å |
| 291 | V | 61.2 | Low | 73.6 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 70% | 0.703 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 123.8 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 106.9 | L289 | L289-V291 PolarHBondContact O-N 3.44Å; L289-V291 VanDerWaalsContact O-N 3.12Å |
| 292 | S | 55.2 | Low | 74.4 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 143.8 | -155.8 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | I290 R294 | I290-S292 PolarHBondContact O-N 3.43Å; I290-S292 VanDerWaalsContact O-N 3.08Å; S292-R294 PolarHBondContact O-N 3.14Å |
| 293 | K | 61.2 | Low | 75.1 | Confident | 160 Ų | 160 | 106.4 Ų | 106.4 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | | | trans | -47.9 | 107.1 | 171.4 | -69.2 | -179.4 | 179.5 | 179.6 | 0 | 107.4 | A295 T306 | K293-A295 PolarHBondContact O-N 2.88Å; K293-T306 HydrophobicContact CG-CG2 4.28Å |
| 294 | R | 68.1 | Low | 76.1 | Confident | 158 Ų | 158 | 99 Ų | 99 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | | | trans | -65.1 | 109.6 | 171.5 | -75.9 | -174.6 | 172 | 178.5 | -5.3 | 105.6 | S292 G296 T297 | S292-R294 PolarHBondContact O-N 3.14Å; R294-G296 PolarHBondContact O-N 2.81Å; R294-T297 VanDerWaalsContact CB-OG1 3.24Å; R294-T297 WeakPolarHBondContact CB-OG1 3.15Å; R294-T297 PolarHBondContact O-N 2.83Å; R294-T297 PolarHBondContact O-OG1 3.06Å |
| 295 | A | 71.2 | Confident | 77.3 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 84% | 0.843 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K293 T297 | K293-A295 PolarHBondContact O-N 2.88Å; A295-T297 PolarHBondContact O-N 2.93Å; A295-T297 VanDerWaalsContact O-N 3.15Å |
| 296 | G | 83.9 | Confident | 78.7 | Confident | 81 Ų | 81 | 88.3 Ų | 88.3 | 84% | 0.835 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -9.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | R294 L298 | R294-G296 PolarHBondContact O-N 2.81Å; G296-L298 PolarHBondContact O-N 2.8Å |
| 297 | T | 93.3 | Very high | 80 | Confident | 34 Ų | 34 | 86 Ų | 86 | 21% | 0.209 | 47% | 0.471 | C | S | . | . | | | trans | -80.3 | 115.3 | -179.5 | -47.1 | 0 | 0 | 0 | 0 | 111.5 | R294 A295 W310 P318 | R294-T297 VanDerWaalsContact CB-OG1 3.24Å; R294-T297 WeakPolarHBondContact CB-OG1 3.15Å; R294-T297 PolarHBondContact O-N 2.83Å; R294-T297 PolarHBondContact O-OG1 3.06Å; A295-T297 PolarHBondContact O-N 2.93Å; A295-T297 VanDerWaalsContact O-N 3.15Å; T297-W310 HydrophobicContact CG2-CD2 3.79Å; T297-W310 HydrophobicContact CG2-CE3 3.84Å; T297-W310 HydrophobicContact CG2-CH2 3.69Å; T297-W310 HydrophobicContact CG2-CZ2 3.61Å; T297-W310 HydrophobicContact CG2-CZ3 3.79Å; T297-W310 VanDerWaalsContact O-CH2 3.3Å; T297-W310 WeakPolarHBondContact O-CH2 3.46Å; T297-W310 WeakPolarHBondContact O-CZ2 3.35Å; T297-P318 HydrophobicContact CG2-CB 3.88Å; T297-P318 HydrophobicContact CG2-CG 4.34Å |
| 298 | L | 95.4 | Very high | 81.5 | Confident | 88 Ų | 88 | 81 Ų | 81 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | | | trans | -114.1 | 153.7 | 172.9 | -57.3 | -177.3 | 0 | 0 | 0 | 110.5 | G296 | G296-L298 PolarHBondContact O-N 2.8Š|
| 299 | C | 96.1 | Very high | 83 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 45% | 0.448 | C | S | . | . | | | trans | -81.9 | 118.1 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | N301 C302 H303 T304 W310 P318 C320 | C299-N301 PolarHBondContact O-N 2.97Å; C299-N301 VanDerWaalsContact O-N 3.07Å; C299-C302 PolarHBondContact O-N 3.19Å; C299-C302 VanDerWaalsContact O-N 3.1Å; C299-C302 PolarHBondContact SG-SG 2.9Å; C299-H303 VanDerWaalsContact O-CA 3.31Å; C299-H303 WeakPolarHBondContact O-CA 3.07Å; C299-H303 PolarHBondContact O-N 3.31Å; C299-T304 PolarHBondContact N-O 3.45Å; C299-W310 HydrophobicContact CB-CZ3 4.09Å; C299-P318 WeakPolarHBondContact CA-O 3.35Å; C299-C320 HydrophobicContact CB-CB 3.9Å; C299-C320 PolarHBondContact SG-N 2.75Å |
| 300 | A | 96.8 | Very high | 84.7 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 31% | 0.314 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -40.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H303 E317 P318 V319 | A300-H303 PolarHBondContact O-CE1 3.22Å; A300-E317 HydrophobicContact CB-CB 4.23Å; A300-P318 PolarHBondContact N-O 2.95Å; A300-V319 HydrophobicContact CB-CG1 4.29Å |
| 301 | N | 96.8 | Very high | 86.4 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -13.4 | -177 | 165.1 | -121.5 | 0 | 0 | 0 | 116 | C299 C323 R334 L336 | C299-N301 PolarHBondContact O-N 2.97Å; C299-N301 VanDerWaalsContact O-N 3.07Å; N301-C323 HydrophobicContact CB-CB 4.42Å; N301-C323 WeakPolarHBondContact OD1-CB 3.24Å; N301-C323 PolarHBondContact OD1-SG 3.04Å; N301-R334 PolarHBondContact ND2-O 3.49Å; N301-R334 WeakPolarHBondContact OD1-CB 3.42Å; N301-R334 PolarHBondContact OD1-N 2.95Å; N301-L336 WeakPolarHBondContact O-CD2 3.29Å |
| 302 | C | 96 | Very high | 88 | Confident | 6 Ų | 6 | 74.3 Ų | 74.3 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149 | 3.1 | -176.3 | 71.6 | 0 | 0 | 0 | 0 | 116 | C299 T304 C323 L336 K339 | C299-C302 PolarHBondContact O-N 3.19Å; C299-C302 VanDerWaalsContact O-N 3.1Å; C299-C302 PolarHBondContact SG-SG 2.9Å; C302-T304 PolarHBondContact O-N 3.3Å; C302-C323 PolarHBondContact SG-SG 2.99Å; C302-L336 HydrophobicContact CB-CD2 3.97Å; C302-K339 PolarHBondContact O-NZ 3.29Å |
| 303 | H | 95.2 | Very high | 89.9 | Confident | 122 Ų | 122 | 72.2 Ų | 72.2 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | | | trans | 55.3 | 11.5 | 178.5 | -43.7 | -66.1 | 0 | 0 | 0 | 115.7 | C299 A300 S305 | C299-H303 VanDerWaalsContact O-CA 3.31Å; C299-H303 WeakPolarHBondContact O-CA 3.07Å; C299-H303 PolarHBondContact O-N 3.31Å; A300-H303 PolarHBondContact O-CE1 3.22Å; H303-S305 PolarHBondContact O-N 3.11Å |
| 304 | T | 93.6 | Very high | 91.5 | Very high | 23 Ų | 23 | 69.4 Ų | 69.4 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | | | trans | -65.6 | 125.1 | 173.2 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | C299 C302 T306 K339 | C299-T304 PolarHBondContact N-O 3.45Å; C302-T304 PolarHBondContact O-N 3.3Å; T304-T306 WeakPolarHBondContact CG2-O 2.99Å; T304-K339 WeakPolarHBondContact OG1-CE 3.37Å |
| 305 | S | 93.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 68 Ų | 68 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | | | trans | -87.5 | -9.8 | 177.6 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | H303 | H303-S305 PolarHBondContact O-N 3.11Š|
| 306 | T | 91.4 | Very high | 93.9 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | | | trans | -118 | 115.8 | -175.8 | 48.3 | 0 | 0 | 0 | 0 | 110.9 | K293 T304 | K293-T306 HydrophobicContact CG-CG2 4.28Å; T304-T306 WeakPolarHBondContact CG2-O 2.99Å |
| 307 | T | 92.2 | Very high | 94.5 | Very high | 18 Ų | 18 | 64.8 Ų | 64.8 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | | | trans | -143.2 | 156.5 | 177.3 | -163.6 | 0 | 0 | 0 | 0 | 112.3 | L309 W310 C320 N321 | T307-L309 VanDerWaalsContact C-N 3.34Å; T307-L309 WeakPolarHBondContact CG2-O 3.38Å; T307-L309 PolarHBondContact OG1-O 3.19Å; T307-W310 HydrophobicContact CG2-CD2 3.51Å; T307-W310 HydrophobicContact CG2-CE3 3.93Å; T307-W310 HydrophobicContact CG2-CG 3.81Å; T307-W310 HydrophobicContact CG2-CH2 4.36Å; T307-W310 HydrophobicContact CG2-CZ2 3.99Å; T307-W310 HydrophobicContact CG2-CZ3 4.33Å; T307-C320 HydrophobicContact CG2-CB 4.36Å; T307-C320 WeakPolarHBondContact OG1-CB 3.41Å; T307-N321 PolarHBondContact OG1-N 2.85Å; T307-N321 VanDerWaalsContact OG1-N 3.1Å |
| 308 | T | 90.8 | Very high | 94.6 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -77.9 | -20.5 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | I343 | T308-I343 HydrophobicContact CG2-CD1 4.44Å; T308-I343 HydrophobicContact CG2-CG2 3.61Å |
| 309 | L | 91.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 47% | 0.466 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -158.9 | 128.1 | 174.6 | 174.8 | 63.1 | 0 | 0 | 0 | 108.9 | T307 N321 | T307-L309 VanDerWaalsContact C-N 3.34Å; T307-L309 WeakPolarHBondContact CG2-O 3.38Å; T307-L309 PolarHBondContact OG1-O 3.19Å; L309-N321 HydrophobicContact CB-CB 4.14Å; L309-N321 WeakPolarHBondContact O-CB 3.39Å; L309-N321 PolarHBondContact O-N 3.17Å |
| 310 | W | 94.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 138.8 | 167.7 | -70.7 | 106.2 | 0 | 0 | 0 | 110 | T297 C299 T307 P318 | T297-W310 HydrophobicContact CG2-CD2 3.79Å; T297-W310 HydrophobicContact CG2-CE3 3.84Å; T297-W310 HydrophobicContact CG2-CH2 3.69Å; T297-W310 HydrophobicContact CG2-CZ2 3.61Å; T297-W310 HydrophobicContact CG2-CZ3 3.79Å; T297-W310 VanDerWaalsContact O-CH2 3.3Å; T297-W310 WeakPolarHBondContact O-CH2 3.46Å; T297-W310 WeakPolarHBondContact O-CZ2 3.35Å; C299-W310 HydrophobicContact CB-CZ3 4.09Å; T307-W310 HydrophobicContact CG2-CD2 3.51Å; T307-W310 HydrophobicContact CG2-CE3 3.93Å; T307-W310 HydrophobicContact CG2-CG 3.81Å; T307-W310 HydrophobicContact CG2-CH2 4.36Å; T307-W310 HydrophobicContact CG2-CZ2 3.99Å; T307-W310 HydrophobicContact CG2-CZ3 4.33Å; W310-P318 HydrophobicContact CE3-CB 4.22Å; W310-P318 HydrophobicContact CZ3-CB 4.42Å |
| 311 | R | 95.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 172.4 | 174.6 | -64.6 | -179.8 | 177.8 | -81 | -3.8 | 108.9 | V319 N321 | R311-V319 HydrophobicContact CB-CG2 3.88Å; R311-V319 PolarHBondContact N-O 2.96Å; R311-V319 PolarHBondContact O-N 3.41Å; R311-N321 PolarHBondContact NE-OD1 3.12Å; R311-N321 PolarHBondContact NH2-OD1 3.09Å |
| 312 | R | 96.6 | Very high | 94.7 | Very high | 194 Ų | 194 | 62.4 Ų | 62.4 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 150.8 | 165.7 | -63.3 | -176.5 | -176 | -91.9 | 10.9 | 110.2 | G316 E317 | R312-G316 VanDerWaalsContact CD-O 3.31Å; R312-G316 WeakPolarHBondContact CD-O 3.37Å; R312-G316 WeakPolarHBondContact CG-O 3.48Å; R312-G316 PolarHBondContact NH1-O 2.9Å; R312-E317 VanDerWaalsContact CA-O 3.24Å; R312-E317 WeakPolarHBondContact CA-O 3.35Å |
| 313 | N | 95.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | | | trans | -84.9 | -174.4 | 163.1 | 66.5 | -2.7 | 0 | 0 | 0 | 110.4 | N315 G316 E317 V319 | N313-N315 PolarHBondContact O-N 2.79Å; N313-N315 WeakPolarHBondContact OD1-CA 3.34Å; N313-N315 WeakPolarHBondContact OD1-CB 3.19Å; N313-N315 PolarHBondContact OD1-N 2.84Å; N313-G316 PolarHBondContact O-N 2.8Å; N313-G316 VanDerWaalsContact O-N 3.12Å; N313-G316 PolarHBondContact OD1-N 3.4Å; N313-G316 VanDerWaalsContact OD1-N 3.09Å; N313-E317 PolarHBondContact N-O 3.28Å; N313-E317 VanDerWaalsContact N-O 3.14Å; N313-E317 PolarHBondContact ND2-OE2 3.13Å; N313-E317 WeakPolarHBondContact OD1-CB 3.5Å; N313-E317 PolarHBondContact OD1-N 3.3Å; N313-V319 HydrophobicContact CB-CG1 4.14Å |
| 314 | A | 94.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 84% | 0.835 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G316 | A314-G316 PolarHBondContact O-N 3.23Å; A314-G316 VanDerWaalsContact O-N 3.17Å |
| 315 | N | 94.5 | Very high | 95.1 | Very high | 129 Ų | 129 | 60.2 Ų | 60.2 | 69% | 0.69 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.7 | 178.2 | -48.4 | 30.7 | 0 | 0 | 0 | 113.2 | N313 E317 | N313-N315 PolarHBondContact O-N 2.79Å; N313-N315 WeakPolarHBondContact OD1-CA 3.34Å; N313-N315 WeakPolarHBondContact OD1-CB 3.19Å; N313-N315 PolarHBondContact OD1-N 2.84Å; N315-E317 VanDerWaalsContact C-N 3.26Å; N315-E317 HydrophobicContact CB-CG 4.11Å; N315-E317 PolarHBondContact O-N 3.07Å |
| 316 | G | 94.8 | Very high | 95.3 | Very high | 27 Ų | 27 | 60.2 Ų | 60.2 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | | | trans | 79.6 | -7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | R312 N313 A314 | R312-G316 VanDerWaalsContact CD-O 3.31Å; R312-G316 WeakPolarHBondContact CD-O 3.37Å; R312-G316 WeakPolarHBondContact CG-O 3.48Å; R312-G316 PolarHBondContact NH1-O 2.9Å; N313-G316 PolarHBondContact O-N 2.8Å; N313-G316 VanDerWaalsContact O-N 3.12Å; N313-G316 PolarHBondContact OD1-N 3.4Å; N313-G316 VanDerWaalsContact OD1-N 3.09Å; A314-G316 PolarHBondContact O-N 3.23Å; A314-G316 VanDerWaalsContact O-N 3.17Å |
| 317 | E | 95.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | | | trans | -69.3 | 149.4 | -175.3 | -56.6 | 174.5 | 101.4 | 0 | 0 | 113.2 | A300 R312 N313 N315 V319 | A300-E317 HydrophobicContact CB-CB 4.23Å; R312-E317 VanDerWaalsContact CA-O 3.24Å; R312-E317 WeakPolarHBondContact CA-O 3.35Å; N313-E317 PolarHBondContact N-O 3.28Å; N313-E317 VanDerWaalsContact N-O 3.14Å; N313-E317 PolarHBondContact ND2-OE2 3.13Å; N313-E317 WeakPolarHBondContact OD1-CB 3.5Å; N313-E317 PolarHBondContact OD1-N 3.3Å; N315-E317 VanDerWaalsContact C-N 3.26Å; N315-E317 HydrophobicContact CB-CG 4.11Å; N315-E317 PolarHBondContact O-N 3.07Å; E317-V319 PolarHBondContact O-N 2.94Å |
| 318 | P | 96.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 124.8 | 177.5 | 27.7 | -34.4 | 0 | 0 | 0 | 112.4 | T297 C299 A300 W310 | T297-P318 HydrophobicContact CG2-CB 3.88Å; T297-P318 HydrophobicContact CG2-CG 4.34Å; C299-P318 WeakPolarHBondContact CA-O 3.35Å; A300-P318 PolarHBondContact N-O 2.95Å; W310-P318 HydrophobicContact CE3-CB 4.22Å; W310-P318 HydrophobicContact CZ3-CB 4.42Å |
| 319 | V | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 71.6 Ų | 71.6 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.8 | 171.3 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | A300 R311 N313 E317 | A300-V319 HydrophobicContact CB-CG1 4.29Å; R311-V319 HydrophobicContact CB-CG2 3.88Å; R311-V319 PolarHBondContact N-O 2.96Å; R311-V319 PolarHBondContact O-N 3.41Å; N313-V319 HydrophobicContact CB-CG1 4.14Å; E317-V319 PolarHBondContact O-N 2.94Å |
| 320 | C | 96.6 | Very high | 96.4 | Very high | 8 Ų | 8 | 71.9 Ų | 71.9 | 5% | 0.054 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 159.2 | 178.8 | 85.1 | 0 | 0 | 0 | 0 | 111.1 | C299 T307 A322 C323 G324 | C299-C320 HydrophobicContact CB-CB 3.9Å; C299-C320 PolarHBondContact SG-N 2.75Å; T307-C320 HydrophobicContact CG2-CB 4.36Å; T307-C320 WeakPolarHBondContact OG1-CB 3.41Å; C320-A322 PolarHBondContact O-N 2.93Å; C320-A322 VanDerWaalsContact O-N 3.14Å; C320-C323 PolarHBondContact O-N 3.33Å; C320-C323 PolarHBondContact SG-N 2.83Å; C320-C323 PolarHBondContact SG-SG 3.42Å; C320-G324 PolarHBondContact O-N 2.85Å |
| 321 | N | 96.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 75.6 Ų | 75.6 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.1 | -34 | -178.9 | -175.7 | 63.2 | 0 | 0 | 0 | 113.6 | T307 L309 R311 L325 | T307-N321 PolarHBondContact OG1-N 2.85Å; T307-N321 VanDerWaalsContact OG1-N 3.1Å; L309-N321 HydrophobicContact CB-CB 4.14Å; L309-N321 WeakPolarHBondContact O-CB 3.39Å; L309-N321 PolarHBondContact O-N 3.17Å; R311-N321 PolarHBondContact NE-OD1 3.12Å; R311-N321 PolarHBondContact NH2-OD1 3.09Å; N321-L325 WeakPolarHBondContact ND2-CD1 3.45Å; N321-L325 VanDerWaalsContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CD1 3.28Å; N321-L325 WeakPolarHBondContact O-CG 3.3Å; N321-L325 PolarHBondContact O-N 3.5Å; N321-L325 VanDerWaalsContact O-N 3.15Å |
| 322 | A | 96.8 | Very high | 96.5 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.1 | -44.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C320 Y326 | C320-A322 PolarHBondContact O-N 2.93Å; C320-A322 VanDerWaalsContact O-N 3.14Å; A322-Y326 WeakPolarHBondContact O-CB 3.44Å; A322-Y326 PolarHBondContact O-N 2.99Å |
| 323 | C | 97.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.034 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67 | -46.6 | 178 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | N301 C302 C320 L325 Y326 F327 R334 | N301-C323 HydrophobicContact CB-CB 4.42Å; N301-C323 WeakPolarHBondContact OD1-CB 3.24Å; N301-C323 PolarHBondContact OD1-SG 3.04Å; C302-C323 PolarHBondContact SG-SG 2.99Å; C320-C323 PolarHBondContact O-N 3.33Å; C320-C323 PolarHBondContact SG-N 2.83Å; C320-C323 PolarHBondContact SG-SG 3.42Å; C323-L325 VanDerWaalsContact C-N 3.29Å; C323-L325 PolarHBondContact O-N 3.23Å; C323-Y326 PolarHBondContact O-N 2.66Å; C323-F327 PolarHBondContact O-N 3Å; C323-R334 HydrophobicContact CB-CB 4.46Å |
| 324 | G | 97.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 70.8 Ų | 70.8 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.9 | -22.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C320 K328 | C320-G324 PolarHBondContact O-N 2.85Å; G324-K328 WeakPolarHBondContact O-CB 3.41Å |
| 325 | L | 97.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82 | -39.2 | 170 | -74.1 | 174.5 | 0 | 0 | 0 | 112.2 | N321 C323 K328 L329 | N321-L325 WeakPolarHBondContact ND2-CD1 3.45Å; N321-L325 VanDerWaalsContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CB 3.31Å; N321-L325 WeakPolarHBondContact O-CD1 3.28Å; N321-L325 WeakPolarHBondContact O-CG 3.3Å; N321-L325 PolarHBondContact O-N 3.5Å; N321-L325 VanDerWaalsContact O-N 3.15Å; C323-L325 VanDerWaalsContact C-N 3.29Å; C323-L325 PolarHBondContact O-N 3.23Å; L325-K328 PolarHBondContact O-N 3.38Å; L325-L329 PolarHBondContact O-N 2.85Å |
| 326 | Y | 98 | Very high | 96.8 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.9 | -174.4 | -87.1 | 0 | 0 | 0 | 111.6 | A322 C323 K328 L329 H330 V332 R334 P335 M338 | A322-Y326 WeakPolarHBondContact O-CB 3.44Å; A322-Y326 PolarHBondContact O-N 2.99Å; C323-Y326 PolarHBondContact O-N 2.66Å; Y326-K328 VanDerWaalsContact C-N 3.28Å; Y326-K328 PolarHBondContact O-N 3.34Å; Y326-L329 PolarHBondContact O-N 3.44Å; Y326-H330 AromaticContact CD2-CD2 3.51Å; Y326-H330 AromaticContact CD2-NE2 3.93Å; Y326-H330 HydrophobicContact CE1-CB 4.35Å; Y326-H330 AromaticContact CE2-CD2 3.45Å; Y326-H330 VanDerWaalsContact CE2-CD2 3.45Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.28Å; Y326-H330 AromaticContact CE2-NE2 3.79Å; Y326-H330 AromaticContact CG-CD2 3.84Å; Y326-H330 AromaticContact CZ-CD2 3.73Å; Y326-H330 PolarHBondContact O-CD2 2.87Å; Y326-H330 PolarHBondContact O-N 3.39Å; Y326-V332 WeakPolarHBondContact CD1-O 3.44Å; Y326-V332 HydrophobicContact CE1-CG2 4.11Å; Y326-R334 VanDerWaalsContact CD1-CA 3.41Å; Y326-R334 HydrophobicContact CD1-CB 3.64Å; Y326-R334 HydrophobicContact CD1-CG 3.94Å; Y326-R334 HydrophobicContact CD2-CG 4.08Å; Y326-R334 HydrophobicContact CE1-CB 4.25Å; Y326-R334 HydrophobicContact CE1-CG 4.43Å; Y326-R334 HydrophobicContact CG-CB 3.87Å; Y326-R334 HydrophobicContact CG-CG 3.73Å; Y326-P335 WeakPolarHBondContact OH-CD 3.44Å; Y326-M338 HydrophobicContact CE2-CE 4.32Å; Y326-M338 HydrophobicContact CE2-SD 3.85Å |
| 327 | F | 97.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 72.5 Ų | 72.5 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 176.6 | -171.1 | -86.3 | 0 | 0 | 0 | 112.2 | C323 L329 N331 | C323-F327 PolarHBondContact O-N 3Å; F327-L329 VanDerWaalsContact C-N 3.28Å; F327-L329 PolarHBondContact O-N 3.29Å; F327-N331 WeakPolarHBondContact CE2-O 3.41Å; F327-N331 WeakPolarHBondContact O-CA 3.46Å; F327-N331 PolarHBondContact O-N 3.07Å |
| 328 | K | 96.8 | Very high | 96.7 | Very high | 169 Ų | 169 | 73 Ų | 73 | 74% | 0.735 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.8 | -21.3 | 175.7 | 175.2 | 162.8 | -72.2 | -130.2 | 0 | 113.8 | G324 L325 Y326 | G324-K328 WeakPolarHBondContact O-CB 3.41Å; L325-K328 PolarHBondContact O-N 3.38Å; Y326-K328 VanDerWaalsContact C-N 3.28Å; Y326-K328 PolarHBondContact O-N 3.34Å |
| 329 | L | 97.5 | Very high | 96.6 | Very high | 130 Ų | 130 | 74.3 Ų | 74.3 | 68% | 0.681 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -97.1 | -29 | -178.8 | -176.4 | 59.7 | 0 | 0 | 0 | 113.2 | L325 Y326 F327 | L325-L329 PolarHBondContact O-N 2.85Å; Y326-L329 PolarHBondContact O-N 3.44Å; F327-L329 VanDerWaalsContact C-N 3.28Å; F327-L329 PolarHBondContact O-N 3.29Å |
| 330 | H | 97.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 80.3 Ų | 80.3 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -122.8 | -2.8 | -172.6 | -56 | -69.4 | 0 | 0 | 0 | 114.2 | Y326 V332 | Y326-H330 AromaticContact CD2-CD2 3.51Å; Y326-H330 AromaticContact CD2-NE2 3.93Å; Y326-H330 HydrophobicContact CE1-CB 4.35Å; Y326-H330 AromaticContact CE2-CD2 3.45Å; Y326-H330 VanDerWaalsContact CE2-CD2 3.45Å; Y326-H330 WeakPolarHBondContact CE2-CD2 3.28Å; Y326-H330 AromaticContact CE2-NE2 3.79Å; Y326-H330 AromaticContact CG-CD2 3.84Å; Y326-H330 AromaticContact CZ-CD2 3.73Å; Y326-H330 PolarHBondContact O-CD2 2.87Å; Y326-H330 PolarHBondContact O-N 3.39Å; H330-V332 HydrophobicContact CB-CG2 3.91Å; H330-V332 PolarHBondContact O-N 3.38Å |
| 331 | N | 96.8 | Very high | 95.8 | Very high | 127 Ų | 127 | 86.2 Ų | 86.2 | 68% | 0.679 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 54.9 | 8 | -173.9 | -76.7 | 51.6 | 0 | 0 | 0 | 116.3 | F327 | F327-N331 WeakPolarHBondContact CE2-O 3.41Å; F327-N331 WeakPolarHBondContact O-CA 3.46Å; F327-N331 PolarHBondContact O-N 3.07Å |
| 332 | V | 96.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 86.7 Ų | 86.7 | 49% | 0.485 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -120.7 | 155.6 | 177.9 | -64.6 | 0 | 0 | 0 | 0 | 112 | Y326 H330 | Y326-V332 WeakPolarHBondContact CD1-O 3.44Å; Y326-V332 HydrophobicContact CE1-CG2 4.11Å; H330-V332 HydrophobicContact CB-CG2 3.91Å; H330-V332 PolarHBondContact O-N 3.38Å |
| 333 | N | 96.3 | Very high | 95 | Very high | 105 Ų | 105 | 87.5 Ų | 87.5 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.3 | 178.8 | -75.8 | 55.5 | 0 | 0 | 0 | 111.7 | P335 | N333-P335 WeakPolarHBondContact O-CD 3.45Š|
| 334 | R | 97.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 94.4 Ų | 94.4 | 17% | 0.174 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 123.5 | -178.1 | -168.3 | 178.8 | -177.9 | -78.9 | 2.4 | 110.1 | N301 C323 Y326 M338 | N301-R334 PolarHBondContact ND2-O 3.49Å; N301-R334 WeakPolarHBondContact OD1-CB 3.42Å; N301-R334 PolarHBondContact OD1-N 2.95Å; C323-R334 HydrophobicContact CB-CB 4.46Å; Y326-R334 VanDerWaalsContact CD1-CA 3.41Å; Y326-R334 HydrophobicContact CD1-CB 3.64Å; Y326-R334 HydrophobicContact CD1-CG 3.94Å; Y326-R334 HydrophobicContact CD2-CG 4.08Å; Y326-R334 HydrophobicContact CE1-CB 4.25Å; Y326-R334 HydrophobicContact CE1-CG 4.43Å; Y326-R334 HydrophobicContact CG-CB 3.87Å; Y326-R334 HydrophobicContact CG-CG 3.73Å; R334-M338 VanDerWaalsContact CZ-O 3.29Å; R334-M338 PolarHBondContact NH1-O 2.98Å; R334-M338 PolarHBondContact NH2-O 2.97Å |
| 335 | P | 96.7 | Very high | 93.8 | Very high | 50 Ų | 50 | 100.2 Ų | 100.2 | 33% | 0.325 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 142.3 | -179.4 | 27.2 | -34.2 | 0 | 0 | 0 | 110.9 | Y326 N333 T337 M338 | Y326-P335 WeakPolarHBondContact OH-CD 3.44Å; N333-P335 WeakPolarHBondContact O-CD 3.45Å; P335-T337 PolarHBondContact O-N 3.24Å; P335-M338 HydrophobicContact CG-CG 3.95Å; P335-M338 HydrophobicContact CG-SD 3.75Å; P335-M338 PolarHBondContact O-N 3.1Å |
| 336 | L | 95.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -67.3 | -25.8 | -176.7 | -64.2 | -179.9 | 0 | 0 | 0 | 112.6 | N301 C302 M338 K339 | N301-L336 WeakPolarHBondContact O-CD2 3.29Å; C302-L336 HydrophobicContact CB-CD2 3.97Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.17Å; L336-K339 WeakPolarHBondContact O-CB 3.37Å; L336-K339 PolarHBondContact O-N 3.33Å |
| 337 | T | 95.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 112.2 Ų | 112.2 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -57.5 | -25.9 | 172.8 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | P335 | P335-T337 PolarHBondContact O-N 3.24Š|
| 338 | M | 93.9 | Very high | 90.9 | Very high | 96 Ų | 96 | 118.3 Ų | 118.3 | 47% | 0.473 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -87.2 | -1.8 | 174.9 | -61.7 | -179.7 | 78.4 | 0 | 0 | 113 | Y326 R334 P335 L336 | Y326-M338 HydrophobicContact CE2-CE 4.32Å; Y326-M338 HydrophobicContact CE2-SD 3.85Å; R334-M338 VanDerWaalsContact CZ-O 3.29Å; R334-M338 PolarHBondContact NH1-O 2.98Å; R334-M338 PolarHBondContact NH2-O 2.97Å; P335-M338 HydrophobicContact CG-CG 3.95Å; P335-M338 HydrophobicContact CG-SD 3.75Å; P335-M338 PolarHBondContact O-N 3.1Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.17Å |
| 339 | K | 93.1 | Very high | 89.7 | Confident | 80 Ų | 80 | 120 Ų | 120 | 35% | 0.348 | 60% | 0.599 | S | S | . | * | | | trans | -63.9 | 144.9 | 179.1 | -176.3 | 175.3 | 169.4 | 173.6 | 0 | 109.8 | C302 T304 L336 | C302-K339 PolarHBondContact O-NZ 3.29Å; T304-K339 WeakPolarHBondContact OG1-CE 3.37Å; L336-K339 WeakPolarHBondContact O-CB 3.37Å; L336-K339 PolarHBondContact O-N 3.33Å |
| 340 | K | 92.3 | Very high | 88.1 | Confident | 133 Ų | 133 | 117.9 Ų | 117.9 | 58% | 0.578 | 59% | 0.591 | S | S | * | * | | | trans | -138.9 | 135.2 | 170.1 | -175.3 | 170.1 | -174.8 | 159.6 | 0 | 108.3 | Q344 | K340-Q344 HydrophobicContact CD-CG 4.31Š|
| 341 | D | 85.3 | Confident | 85.9 | Confident | 132 Ų | 132 | 118 Ų | 118 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -79 | -26.2 | -169.1 | -46.7 | -71.8 | 0 | 0 | 0 | 112.2 | | |
| 342 | G | 87.1 | Confident | 83.9 | Confident | 44 Ų | 44 | 115.7 Ų | 115.7 | 45% | 0.454 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -93.3 | 128.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q344 | G342-Q344 PolarHBondContact O-N 2.84Š|
| 343 | I | 88.8 | Confident | 82.1 | Confident | 63 Ų | 63 | 120 Ų | 120 | 32% | 0.323 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 116.1 | 168.3 | -61.6 | 177.9 | 0 | 0 | 0 | 109.2 | I290 T308 | I290-I343 HydrophobicContact CG2-CD1 4.49Å; T308-I343 HydrophobicContact CG2-CD1 4.44Å; T308-I343 HydrophobicContact CG2-CG2 3.61Å |
| 344 | Q | 87.3 | Confident | 80 | Confident | 150 Ų | 150 | 120.2 Ų | 120.2 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 128.7 | 176.5 | -58 | -169.4 | 22 | 0 | 0 | 111.9 | K340 G342 | K340-Q344 HydrophobicContact CD-CG 4.31Å; G342-Q344 PolarHBondContact O-N 2.84Å |
| 345 | T | 83.5 | Confident | 78.1 | Confident | 139 Ų | 139 | 125.1 Ų | 125.1 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | | | trans | -94.3 | 101.1 | 176.5 | 53 | 0 | 0 | 0 | 0 | 111.7 | | |
| 346 | R | 82.9 | Confident | 75.9 | Confident | 233 Ų | 233 | 131.3 Ų | 131.3 | 88% | 0.879 | 65% | 0.648 | S | S | * | * | | | trans | -80.1 | 128.3 | 169.4 | -175.3 | 176.8 | -179 | -178.4 | 2.8 | 110.4 | R348 | R346-R348 PolarHBondContact O-N 2.86Š|
| 347 | N | 74.9 | Confident | 73.8 | Confident | 151 Ų | 151 | 130.2 Ų | 130.2 | 81% | 0.807 | 65% | 0.65 | S | S | * | * | | | trans | -63.3 | 119.7 | 170.9 | -169.3 | 3.9 | 0 | 0 | 0 | 109.9 | K349 | N347-K349 PolarHBondContact O-N 2.92Š|
| 348 | R | 72.1 | Confident | 71.8 | Confident | 219 Ų | 219 | 132.7 Ų | 132.7 | 83% | 0.826 | 65% | 0.649 | S | S | * | * | | | trans | -85.3 | 106 | -178.5 | -74.2 | -172.4 | 173.8 | -163 | -1.9 | 109.6 | R346 V350 | R346-R348 PolarHBondContact O-N 2.86Å; R348-V350 PolarHBondContact O-N 3.44Å |
| 349 | K | 72.9 | Confident | 69.9 | Low | 205 Ų | 205 | 136.8 Ų | 136.8 | 89% | 0.891 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.4 | 159.5 | -67.8 | 178.6 | -175.8 | -82.5 | 0 | 107.7 | N347 S351 | N347-K349 PolarHBondContact O-N 2.92Å; K349-S351 PolarHBondContact O-N 3Å |
| 350 | V | 62.5 | Low | 68.1 | Low | 85 Ų | 85 | 137.2 Ų | 137.2 | 52% | 0.515 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 130.2 | 173.5 | -71.4 | 0 | 0 | 0 | 0 | 109 | N279 R348 N352 | N279-V350 HydrophobicContact CB-CG2 4.02Å; R348-V350 PolarHBondContact O-N 3.44Å; V350-N352 PolarHBondContact O-N 3.47Å |
| 351 | S | 52 | Low | 66.4 | Low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 116.6 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | K349 K353 | K349-S351 PolarHBondContact O-N 3Å; S351-K353 PolarHBondContact O-N 2.97Å |
| 352 | N | 54.9 | Low | 64.9 | Low | 78 Ų | 78 | 136.2 Ų | 136.2 | 42% | 0.417 | 68% | 0.682 | S | S | . | * | | | trans | -73.4 | 41.5 | 176.8 | -80.9 | -33.7 | 0 | 0 | 0 | 112.5 | Q278 V350 N354 K355 | Q278-N352 PolarHBondContact NE2-ND2 2.75Å; Q278-N352 PolarHBondContact NE2-OD1 3.02Å; Q278-N352 VanDerWaalsContact NE2-OD1 3.17Å; Q278-N352 PolarHBondContact OE1-ND2 3.15Å; V350-N352 PolarHBondContact O-N 3.47Å; N352-N354 PolarHBondContact O-N 2.98Å; N352-K355 PolarHBondContact O-N 2.96Å |
| 353 | K | 58.2 | Low | 63.3 | Low | 170 Ų | 170 | 142.8 Ų | 142.8 | 74% | 0.739 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -63.3 | -26.8 | -169.1 | -152.8 | 177.4 | -176.6 | -172.2 | 0 | 113.1 | S351 K355 | S351-K353 PolarHBondContact O-N 2.97Å; K353-K355 VanDerWaalsContact C-N 3.32Å; K353-K355 PolarHBondContact O-N 3.18Å |
| 354 | N | 53.1 | Low | 61.4 | Low | 111 Ų | 111 | 147 Ų | 147 | 59% | 0.594 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -74.1 | -10.4 | -175.4 | -56.6 | 68.2 | 0 | 0 | 0 | 115.1 | N352 | N352-N354 PolarHBondContact O-N 2.98Š|
| 355 | K | 57 | Low | 59.2 | Low | 149 Ų | 149 | 148.2 Ų | 148.2 | 65% | 0.648 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -76.7 | -17.4 | -177.4 | -81 | -168.9 | 174.3 | -176.7 | 0 | 115.1 | N352 K353 | N352-K355 PolarHBondContact O-N 2.96Å; K353-K355 VanDerWaalsContact C-N 3.32Å; K353-K355 PolarHBondContact O-N 3.18Å |
| 356 | K | 51 | Low | 57.4 | Low | 179 Ų | 179 | 152.2 Ų | 152.2 | 78% | 0.778 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -45.5 | -178.1 | -164.7 | 97.5 | 178.2 | -172.2 | 0 | 112.7 | K358 K359 | K356-K358 VanDerWaalsContact C-N 3.32Å; K356-K358 PolarHBondContact O-N 3.16Å; K356-K359 PolarHBondContact O-N 3.22Å |
| 357 | S | 52.3 | Low | 55.7 | Low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -60.7 | -34.3 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 114.3 | K359 V360 | S357-K359 PolarHBondContact O-N 3.25Å; S357-K359 VanDerWaalsContact O-N 3.16Å; S357-V360 PolarHBondContact O-N 3.09Å; S357-V360 VanDerWaalsContact O-N 3.14Å |
| 358 | K | 53.3 | Low | 54.1 | Low | 183 Ų | 183 | 148.1 Ų | 148.1 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -68.2 | -12.8 | -178.1 | -162.2 | 171.3 | -177.8 | -176.6 | 0 | 114.2 | K356 | K356-K358 VanDerWaalsContact C-N 3.32Å; K356-K358 PolarHBondContact O-N 3.16Å |
| 359 | K | 52.7 | Low | 52.8 | Low | 183 Ų | 183 | 144.3 Ų | 144.3 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -89 | -15.7 | 174 | -163.8 | 169.1 | -178 | -178 | 0 | 113.6 | K356 S357 | K356-K359 PolarHBondContact O-N 3.22Å; S357-K359 PolarHBondContact O-N 3.25Å; S357-K359 VanDerWaalsContact O-N 3.16Å |
| 360 | V | 56.7 | Low | 51.1 | Low | 89 Ų | 89 | 141.4 Ų | 141.4 | 54% | 0.539 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -54.1 | 177 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | S357 M362 F363 | S357-V360 PolarHBondContact O-N 3.09Å; S357-V360 VanDerWaalsContact O-N 3.14Å; V360-M362 PolarHBondContact O-N 3.14Å; V360-F363 PolarHBondContact O-N 3.12Å |
| 361 | A | 55.7 | Low | 49.9 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 22.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 362 | M | 54.2 | Low | 49.6 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -20.1 | 167.8 | -173.2 | -178.9 | 171.1 | 0 | 0 | 112 | V360 | V360-M362 PolarHBondContact O-N 3.14Š|
| 363 | F | 53.5 | Low | 48.6 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -22.5 | -179 | -167.5 | -106.1 | 0 | 0 | 0 | 112.7 | V360 Q365 | V360-F363 PolarHBondContact O-N 3.12Å; F363-Q365 VanDerWaalsContact C-N 3.33Å; F363-Q365 PolarHBondContact O-N 2.79Å |
| 364 | E | 47.8 | Very low | 47.7 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 0.2 | -168.4 | -151 | 156.9 | -157.7 | 0 | 0 | 114 | | |
| 365 | Q | 42.2 | Very low | 47.1 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 5.5 | -177 | -165.6 | 170.3 | -0 | 0 | 0 | 113.8 | F363 | F363-Q365 VanDerWaalsContact C-N 3.33Å; F363-Q365 PolarHBondContact O-N 2.79Å |
| 366 | Y | 44.9 | Very low | 46.1 | Very low | 222 Ų | 222 | 150.4 Ų | 150.4 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -120.5 | 18.2 | -168.4 | -125.3 | -83.4 | 0 | 0 | 0 | 115.6 | | |
| 367 | S | 46.8 | Very low | 45.2 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -138.3 | 45.7 | -171.5 | 60.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 368 | E | 41.1 | Very low | 44.6 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | | | trans | -145.1 | 45.7 | 174.2 | -153.5 | -179.9 | 155.8 | 0 | 0 | 113.7 | | |
| 369 | V | 44.8 | Very low | 43.5 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -143.1 | 81.4 | 166.1 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 370 | T | 37.2 | Very low | 42.6 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -165.6 | 116 | 146.6 | -2.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 371 | Q | 39 | Very low | 42.4 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | -136 | 135.3 | 153.2 | -80.5 | -166.5 | -1.6 | 0 | 0 | 107.9 | | |
| 372 | P | 44.5 | Very low | 41.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -94.1 | 141.7 | 167.7 | 35 | -30 | 0 | 0 | 0 | 111.3 | | |
| 373 | S | 35.2 | Very low | 40.5 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -82.1 | 149.6 | 173.2 | -44.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 374 | S | 37.9 | Very low | 39.9 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -136.7 | 147 | 165.7 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 375 | L | 40.7 | Very low | 39.2 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -112.6 | 152.6 | -167.2 | -138.5 | 89.4 | 0 | 0 | 0 | 113 | | |
| 376 | D | 36.8 | Very low | 39.3 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | 69.1 | 159.8 | 154.8 | -136.1 | -26.3 | 0 | 0 | 0 | 119.2 | | |
| 377 | G | 32.9 | Very low | 38.8 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 143 | 53.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 378 | S | 39 | Very low | 38.5 | Very low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -26.4 | 136.1 | 169.9 | 58.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 379 | G | 30.7 | Very low | 38.3 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 157.1 | 128.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 380 | G | 32.5 | Very low | 37.9 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -130.5 | -166.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 381 | P | 52.8 | Low | 37.8 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | cis | -136.2 | -167.8 | 6.1 | 24.2 | 2.7 | 0 | 0 | 0 | 114.5 | | |
| 382 | F | 35.4 | Very low | 37.6 | Very low | 188 Ų | 188 | 123.7 Ų | 123.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 84.1 | 124.9 | 158.2 | -65.8 | -64.7 | 0 | 0 | 0 | 122.8 | | |
| 383 | S | 34 | Very low | 37 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | | 88.2 | 129 | 128.8 | -72.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 384 | L | 41.3 | Very low | 37.2 | Very low | 171 Ų | 171 | 123 Ų | 123 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | 70.5 | 129.6 | 148.4 | -62.1 | 164.8 | 0 | 0 | 0 | 119.8 | | |
| 385 | G | 34.1 | Very low | 37.2 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | -104.3 | -151.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 386 | P | 44.5 | Very low | 38 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | cis | -129.9 | 162.9 | -7.5 | 40.5 | -26.2 | 0 | 0 | 0 | 114.5 | | |
| 387 | G | 33.7 | Very low | 38 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | 84.9 | 142.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 388 | T | 40.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 124 Ų | 124 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 38.7 | 119.9 | 150.3 | 59.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 389 | L | 37.5 | Very low | 38.4 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | | -168.3 | 154.8 | 62 | -80.8 | 174.1 | 0 | 0 | 0 | 112.2 | | |
| 390 | L | 36.1 | Very low | 38.5 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | 51.2 | 130.6 | 150.6 | -59.8 | 163.8 | 0 | 0 | 0 | 118.5 | | |
| 391 | T | 34.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | | -173.8 | 153.1 | 62.2 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 392 | Y | 35.7 | Very low | 38 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | 68.5 | 140.3 | 169.5 | -110.7 | -123.6 | 0 | 0 | 0 | 116.6 | H394 | Y392-H394 AromaticContact CE1-NE2 3.44Å; Y392-H394 WeakPolarHBondContact CE1-NE2 3.44Å; Y392-H394 AromaticContact CZ-CE1 3.71Å; Y392-H394 AromaticContact CZ-NE2 3.34Å; Y392-H394 VanDerWaalsContact CZ-NE2 3.34Å; Y392-H394 PolarHBondContact OH-NE2 2.99Å |
| 393 | S | 31.6 | Very low | 38.1 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | cis | -144.9 | 138.6 | 8.9 | -21.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 394 | H | 39.7 | Very low | 39.1 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 68% | 0.676 | 75% | 0.753 | S | S | * | * | | | trans | 54.3 | 93.1 | 144.5 | -53.2 | -37.7 | 0 | 0 | 0 | 121.2 | Y392 | Y392-H394 AromaticContact CE1-NE2 3.44Å; Y392-H394 WeakPolarHBondContact CE1-NE2 3.44Å; Y392-H394 AromaticContact CZ-CE1 3.71Å; Y392-H394 AromaticContact CZ-NE2 3.34Å; Y392-H394 VanDerWaalsContact CZ-NE2 3.34Å; Y392-H394 PolarHBondContact OH-NE2 2.99Å |
| 395 | T | 37.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -124.1 | -168.4 | 146.3 | 54.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 396 | P | 56.7 | Low | 39.1 | Very low | 96 Ų | 96 | 135 Ų | 135 | 62% | 0.623 | 76% | 0.757 | S | S | * | * | | | | -72.4 | -152.1 | -72.8 | -11.9 | 30.4 | 0 | 0 | 0 | 112.4 | | |
| 397 | H | 38.4 | Very low | 39.4 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | cis | -166.9 | 138.1 | 44.3 | -67.8 | -86.8 | 0 | 0 | 0 | 111.2 | | |
| 398 | L | 36.3 | Very low | 39.6 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | | 84 | 168.4 | 108.5 | -66.8 | 176.4 | 0 | 0 | 0 | 118.7 | | |
| 399 | I | 42.5 | Very low | 39.4 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -100.8 | 145 | -170.1 | -58.3 | 156.4 | 0 | 0 | 0 | 109.6 | | |
| 400 | T | 33.8 | Very low | 39.4 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | | | trans | -127.7 | 144 | 173.3 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 401 | T | 38.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | | | trans | -143 | 150.4 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 112 | | |
| 402 | Q | 35.2 | Very low | 40.4 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | 81.6 | 115.6 | 167 | -47.9 | -168.2 | 31.1 | 0 | 0 | 118.7 | | |
| 403 | S | 38.3 | Very low | 40.4 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | | 30.3 | 153.7 | 113.8 | -56.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 404 | P | 55.5 | Low | 40.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -148.3 | 175.8 | 34.5 | 40.6 | -19.9 | 0 | 0 | 0 | 118.6 | | |
| 405 | L | 37.4 | Very low | 40.9 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | | 174.9 | 166.1 | 122.2 | -91.1 | 166.7 | 0 | 0 | 0 | 113.2 | | |
| 406 | H | 38.5 | Very low | 41.3 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -106.1 | -177.8 | -169.7 | -107.5 | -94 | 0 | 0 | 0 | 111.8 | | |
| 407 | P | 49.6 | Very low | 40.6 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | cis | -139.7 | -162.4 | 29.1 | 43.6 | -22.1 | 0 | 0 | 0 | 117.1 | | |
| 408 | S | 37.6 | Very low | 40.5 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -123.3 | 151.5 | -160.1 | -38 | 0 | 0 | 0 | 0 | 114.3 | | |
| 409 | A | 36.6 | Very low | 40.7 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -162.8 | 151.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 410 | S | 36.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | cis | -160.6 | 155.1 | -23.1 | 46 | 0 | 0 | 0 | 0 | 108.3 | | |
| 411 | L | 43.8 | Very low | 40.9 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -77.8 | 164.5 | 177.8 | -56.9 | 171.2 | 0 | 0 | 0 | 110.8 | | |
| 412 | P | 48.7 | Very low | 41.4 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | | -138.1 | 145.6 | 86.3 | 36.6 | -22.5 | 0 | 0 | 0 | 116.8 | | |
| 413 | Y | 35.7 | Very low | 42.3 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 65% | 0.651 | 78% | 0.775 | S | S | * | * | | | trans | -60.6 | 154.3 | 167.2 | -162.8 | -136.8 | 0 | 0 | 0 | 114.6 | H415 | Y413-H415 AromaticContact CE1-CD2 3.4Å; Y413-H415 VanDerWaalsContact CE1-CD2 3.4Å; Y413-H415 WeakPolarHBondContact CE1-CD2 3.44Å; Y413-H415 AromaticContact CE1-CE1 3.66Å; Y413-H415 AromaticContact CE1-CG 3.83Å; Y413-H415 AromaticContact CE1-ND1 3.97Å; Y413-H415 AromaticContact CE1-NE2 3.3Å; Y413-H415 VanDerWaalsContact CE1-NE2 3.3Å; Y413-H415 WeakPolarHBondContact CE1-NE2 3.31Å; Y413-H415 AromaticContact CZ-CE1 3.55Å; Y413-H415 AromaticContact CZ-ND1 3.83Å; Y413-H415 AromaticContact CZ-NE2 3.69Å; Y413-H415 PolarHBondContact OH-CE1 3.46Å; Y413-H415 PolarHBondContact OH-NE2 3.39Å |
| 414 | T | 41.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -141.1 | 134.1 | 143.5 | 34.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 415 | H | 40.7 | Very low | 42.1 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 63% | 0.625 | 78% | 0.777 | S | S | * | * | | | trans | -82.6 | 155.8 | 168.6 | -76.3 | -73.7 | 0 | 0 | 0 | 111.2 | Y413 | Y413-H415 AromaticContact CE1-CD2 3.4Å; Y413-H415 VanDerWaalsContact CE1-CD2 3.4Å; Y413-H415 WeakPolarHBondContact CE1-CD2 3.44Å; Y413-H415 AromaticContact CE1-CE1 3.66Å; Y413-H415 AromaticContact CE1-CG 3.83Å; Y413-H415 AromaticContact CE1-ND1 3.97Å; Y413-H415 AromaticContact CE1-NE2 3.3Å; Y413-H415 VanDerWaalsContact CE1-NE2 3.3Å; Y413-H415 WeakPolarHBondContact CE1-NE2 3.31Å; Y413-H415 AromaticContact CZ-CE1 3.55Å; Y413-H415 AromaticContact CZ-ND1 3.83Å; Y413-H415 AromaticContact CZ-NE2 3.69Å; Y413-H415 PolarHBondContact OH-CE1 3.46Å; Y413-H415 PolarHBondContact OH-NE2 3.39Å |
| 416 | H | 45 | Very low | 42.6 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | | -154.3 | 158.6 | 113.6 | -165.4 | -109.2 | 0 | 0 | 0 | 110.8 | | |
| 417 | L | 41 | Very low | 42.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 61% | 0.607 | 80% | 0.799 | S | S | * | * | | | trans | -86.8 | 175.1 | 174.2 | -74.2 | 69.5 | 0 | 0 | 0 | 110.4 | | |
| 418 | N | 38.3 | Very low | 42.5 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | | -152.9 | 156.3 | 110.8 | -155.9 | 11.8 | 0 | 0 | 0 | 111.1 | | |
| 419 | S | 40.2 | Very low | 42.8 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | | | trans | -116.8 | 149.5 | -178.6 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 420 | G | 37.9 | Very low | 43.1 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 80 | 159.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 421 | M | 42.3 | Very low | 43.5 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | cis | -138.1 | 160.2 | 9.9 | -70.3 | -177.6 | 169.4 | 0 | 0 | 112.4 | | |
| 422 | V | 48.3 | Very low | 43.5 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -89 | 143.6 | 162 | -167.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 423 | P | 53.4 | Low | 43.1 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | -111 | 133 | 152 | 30 | -20 | 0 | 0 | 0 | 111.9 | | |
| 424 | T | 47.2 | Very low | 43.7 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -69.9 | 161.3 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 425 | L | 42.4 | Very low | 43.9 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -18.1 | 134.3 | 161 | -52.2 | 162.6 | 0 | 0 | 0 | 116.8 | | |
| 426 | V | 49.8 | Very low | 44.2 | Very low | 218 Ų | 218 | 140.2 Ų | 140.2 | 100% | 1.321 | 82% | 0.819 | S | S | * | * | | | | -133.9 | 0 | 125.1 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | | |