| 1 | M | 42.7 | Very low | 43 | Very low | 248 Ų | 248 | 131.6 Ų | 131.6 | 100% | 1.222 | 82% | 0.819 | S | S | * | * | | | | 0 | 142 | 0 | -68.5 | 148.6 | 84.5 | 0 | 0 | 107.5 | | |
| 2 | L | 42.4 | Very low | 42.5 | Very low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -93 | 157.9 | 175.3 | -73.4 | 165.9 | 0 | 0 | 0 | 109.3 | | |
| 3 | P | 59.9 | Low | 42.3 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | | -136.6 | -168.6 | 75 | 23.8 | -1 | 0 | 0 | 0 | 114 | | |
| 4 | S | 42.1 | Very low | 42 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 81% | 0.807 | S | S | * | * | | | | 165.8 | 122 | -53.9 | -83.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 5 | Q | 41.1 | Very low | 41.9 | Very low | 188 Ų | 188 | 125.5 Ų | 125.5 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | | | trans | 64.4 | 166.3 | 165.8 | -49.6 | -156.9 | 71.5 | 0 | 0 | 117.2 | | |
| 6 | V | 39.2 | Very low | 41.9 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | cis | -132.8 | 140.8 | 8.5 | 174 | 0 | 0 | 0 | 0 | 108.4 | | |
| 7 | G | 35.6 | Very low | 41.8 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | | 66.9 | 137.9 | 95.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 8 | S | 35.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | cis | -154.2 | 171 | 18.4 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 9 | A | 36.6 | Very low | 41.3 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -99 | -169 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 10 | P | 54.6 | Low | 41 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | | | cis | -146.4 | 175.6 | 29.2 | 45 | -24.8 | 0 | 0 | 0 | 119.6 | | |
| 11 | S | 43.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | 65.1 | 138.3 | 150.6 | -62.4 | 0 | 0 | 0 | 0 | 122 | | |
| 12 | G | 37.7 | Very low | 40.4 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | | | cis | 170.7 | 157.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 13 | N | 38.9 | Very low | 40 | Very low | 176 Ų | 176 | 116.5 Ų | 116.5 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | | | trans | 59.4 | 138.2 | 163.2 | -60.9 | -2.9 | 0 | 0 | 0 | 120.5 | | |
| 14 | G | 38.2 | Very low | 38.8 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | cis | 161.4 | 147.2 | -13.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 15 | S | 40.6 | Very low | 38.2 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | trans | 69 | 147.1 | 154.5 | -62.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 16 | A | 41.8 | Very low | 39 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | cis | -164.3 | 166.4 | -16.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 17 | S | 40.1 | Very low | 38.6 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -54.2 | 172.4 | 174.2 | -46 | 0 | 0 | 0 | 0 | 116.6 | | |
| 18 | G | 34.9 | Very low | 38.7 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | cis | 124.9 | 161.8 | -2.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 19 | R | 39.2 | Very low | 38.8 | Very low | 241 Ų | 241 | 124.2 Ų | 124.2 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | 68.4 | 169.8 | 168.2 | -77 | -178 | 162.5 | -163.3 | -6.9 | 118.9 | | |
| 20 | T | 35 | Very low | 39.3 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | | | | -175.6 | 132.7 | -54.3 | 36 | 0 | 0 | 0 | 0 | 107.5 | | |
| 21 | A | 33.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -148.6 | 167.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 22 | T | 37.7 | Very low | 37.7 | Very low | 141 Ų | 141 | 128 Ų | 128 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | trans | -155.6 | 135 | -152.2 | 47.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 23 | G | 34.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | 92.3 | 135.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 24 | H | 34.3 | Very low | 37.2 | Very low | 207 Ų | 207 | 133.9 Ų | 133.9 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | | | trans | 72.3 | 161.5 | 150.5 | -64.2 | -24.6 | 0 | 0 | 0 | 122.6 | | |
| 25 | G | 30.6 | Very low | 36.9 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | | | trans | -155.9 | -161.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 26 | P | 57.5 | Low | 36.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | cis | -128 | -176.4 | -0.2 | 43 | -28.5 | 0 | 0 | 0 | 113.8 | | |
| 27 | G | 31.2 | Very low | 36 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | 160.8 | 124.5 | 157 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 28 | I | 37.4 | Very low | 35.6 | Very low | 180 Ų | 180 | 137.5 Ų | 137.5 | 92% | 0.923 | 81% | 0.812 | S | S | * | * | | | trans | 72.6 | 151 | 146.3 | -56.8 | -178.7 | 0 | 0 | 0 | 119.2 | | |
| 29 | R | 36.8 | Very low | 35.4 | Very low | 213 Ų | 213 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -101.8 | 165.9 | -176.1 | -61.7 | 172.5 | 152.6 | -126.6 | -1.2 | 111.9 | | |
| 30 | P | 46.6 | Very low | 35.9 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | | -141 | -168.7 | 91.4 | 37.9 | -22.3 | 0 | 0 | 0 | 114.8 | | |
| 31 | V | 32.9 | Very low | 35.6 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 63% | 0.63 | 81% | 0.809 | S | S | * | * | | | trans | -103.4 | 145.2 | -167.8 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | V33 | V31-V33 HydrophobicContact CG1-CG2 4.35Š|
| 32 | L | 31.1 | Very low | 35.5 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | -146.6 | 150.7 | 143.3 | -155.8 | 66 | 0 | 0 | 0 | 111.6 | | |
| 33 | V | 34.5 | Very low | 35.1 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | | | trans | -116.6 | 135.6 | -176.9 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | V31 | V31-V33 HydrophobicContact CG1-CG2 4.35Š|
| 34 | R | 32.1 | Very low | 35 | Very low | 246 Ų | 246 | 138 Ų | 138 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -157.7 | 153.2 | 145.6 | -129.3 | 171.3 | -179.6 | 146.2 | 1.7 | 114.2 | | |
| 35 | T | 32.7 | Very low | 35 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -112.2 | 154.8 | -177.9 | 43 | 0 | 0 | 0 | 0 | 111.5 | | |
| 36 | G | 31.9 | Very low | 35 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | 167.2 | 101.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 37 | Q | 32 | Very low | 33.6 | Very low | 194 Ų | 194 | 131 Ų | 131 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | | 72.2 | 76.3 | 86 | -74.5 | -167.8 | -17 | 0 | 0 | 115.8 | | |
| 38 | A | 29.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | | | | 44.2 | 122.7 | 114.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 39 | L | 32.4 | Very low | 33.8 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | 74.5 | 167 | 142 | -59.8 | 170.1 | 0 | 0 | 0 | 118.3 | | |
| 40 | P | 48.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | | -142.6 | 168.7 | -54.1 | 40.8 | -25.9 | 0 | 0 | 0 | 116.1 | | |
| 41 | G | 29.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 127 Ų | 127 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | | | trans | 108.9 | 160 | 134.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 42 | V | 32.9 | Very low | 33.2 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 96% | 0.964 | 81% | 0.812 | S | S | * | * | | | trans | 67.2 | 139 | 169.9 | -164.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 43 | G | 28.8 | Very low | 33.3 | Very low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | | | cis | 167.2 | 169.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | E | 31.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | 66.5 | 156.7 | 171 | -71.1 | -150.8 | 69.4 | 0 | 0 | 119.8 | | |
| 45 | S | 34.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | cis | -165.9 | 161.9 | -31.1 | 55 | 0 | 0 | 0 | 0 | 110.8 | | |
| 46 | G | 29.7 | Very low | 33.6 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | 139.6 | 112.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 47 | G | 28.8 | Very low | 34 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | trans | 73.5 | 111.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 48 | A | 36 | Very low | 34.1 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | | | cis | 112.1 | 77.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 49 | A | 37.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | | | trans | -170 | 146 | 149 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 50 | G | 31.7 | Very low | 34.2 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | | | cis | 124.6 | 125.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 51 | R | 36.1 | Very low | 33.5 | Very low | 227 Ų | 227 | 131.3 Ų | 131.3 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | | | cis | -155.6 | -178.7 | 5.9 | -105.8 | -173.6 | 177.6 | -160.5 | 2.9 | 111.6 | | |
| 52 | Q | 34.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 84% | 0.838 | S | S | * | * | | | trans | -33.1 | 161.1 | 166.1 | -58.4 | 136 | -57.8 | 0 | 0 | 116.8 | | |
| 53 | G | 34.5 | Very low | 33.6 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | cis | 110.3 | 117.9 | 1.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 54 | E | 33.8 | Very low | 33.9 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | | | trans | -148.1 | 173.4 | -177.3 | -156.4 | 157.3 | -168.3 | 0 | 0 | 113.3 | | |
| 55 | R | 40.3 | Very low | 33.9 | Very low | 235 Ų | 235 | 129.1 Ų | 129.1 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | | | trans | -129.1 | 154.1 | -175.8 | -48.1 | 173 | -177.7 | 177.4 | 0 | 110.7 | | |
| 56 | E | 30.5 | Very low | 34.6 | Very low | 202 Ų | 202 | 130.6 Ų | 130.6 | 94% | 0.944 | 85% | 0.848 | S | S | * | * | | | trans | -163.8 | 179.5 | 130.9 | -120.5 | -176.8 | 175.4 | 0 | 0 | 112.9 | | |
| 57 | A | 41 | Very low | 34.7 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | | | trans | -150.6 | 131 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 58 | A | 35.1 | Very low | 34.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | | | trans | -171.2 | 158.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 59 | G | 30.2 | Very low | 34.8 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 85% | 0.845 | S | S | * | * | | | cis | 170.9 | 166 | -5.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 60 | M | 32.3 | Very low | 34.7 | Very low | 183 Ų | 183 | 138 Ų | 138 | 90% | 0.901 | 85% | 0.848 | S | S | * | * | | | trans | 67.2 | 134 | 174 | -53.7 | 171.2 | 66.9 | 0 | 0 | 115.8 | | |
| 61 | L | 34.6 | Very low | 34.7 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 90% | 0.901 | 85% | 0.851 | S | S | * | * | | | cis | 87.4 | 107 | 31.8 | -69.4 | 173.1 | 0 | 0 | 0 | 116.4 | | |
| 62 | G | 31 | Very low | 34.5 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 85% | 0.848 | S | S | * | * | | | trans | 114.7 | 113.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 63 | A | 34.1 | Very low | 34.5 | Very low | 101 Ų | 101 | 136 Ų | 136 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | | | trans | -176 | 153.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 64 | N | 34.2 | Very low | 34.8 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 92% | 0.92 | 85% | 0.852 | S | S | * | * | | | trans | -135.2 | 126.4 | -177.8 | -89.4 | -47.5 | 0 | 0 | 0 | 113.2 | | |
| 65 | G | 31.2 | Very low | 34.9 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | | | trans | 61.4 | -174.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 66 | P | 48.7 | Very low | 34.5 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 88% | 0.877 | 84% | 0.843 | S | S | * | * | | | cis | -83.7 | -177.3 | -14.5 | 37 | -35.3 | 0 | 0 | 0 | 111.8 | | |
| 67 | G | 32 | Very low | 34.4 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | cis | 125.1 | 110.6 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 68 | G | 31.2 | Very low | 34 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | | | trans | -156.5 | 143.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 69 | S | 37.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | trans | -84.1 | 170.9 | -176.8 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 70 | R | 34.7 | Very low | 33.8 | Very low | 251 Ų | 251 | 125.3 Ų | 125.3 | 95% | 0.947 | 84% | 0.837 | S | S | * | * | | | cis | -169 | 148.2 | 24.4 | -144.1 | 166.9 | -163 | 173.5 | 3.2 | 107.8 | | |
| 71 | G | 31 | Very low | 33.9 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | | | trans | 151.3 | 61.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 72 | A | 31.7 | Very low | 34.3 | Very low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -81 | 161.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 73 | R | 36.3 | Very low | 34.1 | Very low | 240 Ų | 240 | 124.2 Ų | 124.2 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | | | cis | -158.5 | -175.3 | 47.3 | -115.6 | -153.8 | 161 | -161.6 | -4.5 | 111.7 | | |
| 74 | P | 41 | Very low | 33.7 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | | | trans | -108.4 | -179.5 | -148 | 43.9 | -39.1 | 0 | 0 | 0 | 115.2 | | |
| 75 | G | 33.9 | Very low | 33.3 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -87.4 | 170.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 76 | N | 32.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | | | trans | -141.9 | 163.1 | 163 | -106.5 | -3.7 | 0 | 0 | 0 | 106.2 | | |
| 77 | G | 29.4 | Very low | 32.1 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | 132.4 | 120.6 | 12.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 78 | A | 31.7 | Very low | 32 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -109.1 | 156.6 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 79 | G | 27.3 | Very low | 31.9 | Very low | 69 Ų | 69 | 129.7 Ų | 129.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 165 | 94.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 80 | L | 33.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 39.7 | 128 | 131.7 | -54.8 | 174.3 | 0 | 0 | 0 | 123.6 | | |
| 81 | N | 35.9 | Very low | 31.3 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | | 46.2 | 140.5 | 127.8 | -60.7 | 14.2 | 0 | 0 | 0 | 121.7 | | |
| 82 | P | 42 | Very low | 31.3 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | | -155.4 | 148 | 82.7 | 39.7 | -19.4 | 0 | 0 | 0 | 120.5 | | |
| 83 | L | 26.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | 45.4 | 127 | 132.9 | -109 | 67.2 | 0 | 0 | 0 | 126.4 | | |
| 84 | Q | 25.6 | Very low | 31 | Very low | 156 Ų | 156 | 121.6 Ų | 121.6 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | | 97.3 | 136.9 | 117.6 | -139.5 | -178.9 | -17.5 | 0 | 0 | 124.2 | | |
| 85 | T | 25.8 | Very low | 30.4 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | 72.5 | 152.3 | 151.7 | 18.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 86 | A | 27.9 | Very low | 31.1 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 65% | 0.645 | 80% | 0.799 | S | S | * | * | | | cis | -160.9 | 156.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 87 | V | 27.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 78.3 | 143.4 | 131.9 | 161 | 0 | 0 | 0 | 0 | 124.2 | | |
| 88 | Q | 29.5 | Very low | 30.9 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | 67.9 | 141.8 | 166.6 | -88 | 168.3 | 1.4 | 0 | 0 | 119.2 | | |
| 89 | G | 28.4 | Very low | 30.7 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | cis | 176.8 | 156.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 90 | G | 29.4 | Very low | 31.1 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 170.2 | 146.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 91 | I | 30.3 | Very low | 31.9 | Very low | 165 Ų | 165 | 128 Ų | 128 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -140.8 | 166.8 | -168.9 | -55.7 | 178.4 | 0 | 0 | 0 | 110.3 | | |
| 92 | V | 31.6 | Very low | 31.8 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | 88.1 | 129 | 171.3 | -167.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 93 | G | 29.4 | Very low | 31.3 | Very low | 64 Ų | 64 | 128.3 Ų | 128.3 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | cis | 172.5 | 153.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 94 | L | 31.4 | Very low | 31.5 | Very low | 166 Ų | 166 | 125.8 Ų | 125.8 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | 55.9 | 97.3 | 151.9 | -52.2 | 178.6 | 0 | 0 | 0 | 121.4 | | |
| 95 | N | 28.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | | 20.5 | 162.3 | 107.8 | -86.3 | -32.4 | 0 | 0 | 0 | 121.5 | | |
| 96 | P | 50 | Low | 31.9 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | | | cis | -142.8 | -178.7 | -13.7 | 38.2 | -18.4 | 0 | 0 | 0 | 116.5 | | |
| 97 | G | 27.7 | Very low | 32.2 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | 122.3 | 156.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 98 | V | 29.6 | Very low | 33.2 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | cis | -157.9 | 133.7 | -3.5 | 124.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 99 | V | 28 | Very low | 33.3 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | 59.6 | 139.7 | 147.4 | -177.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 100 | M | 34.8 | Very low | 33.7 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | | | trans | -73.5 | -174.9 | 173.2 | -82.5 | -74.8 | 166.7 | 0 | 0 | 112.7 | | |
| 101 | P | 50.5 | Low | 33.9 | Very low | 114 Ų | 114 | 144 Ų | 144 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | cis | -156 | -177 | 32.9 | 45.5 | -21.6 | 0 | 0 | 0 | 121.5 | | |
| 102 | H | 33.9 | Very low | 34.1 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | | | trans | -16.3 | 145.1 | 165.6 | -72.9 | -67.1 | 0 | 0 | 0 | 122 | | |
| 103 | G | 29.8 | Very low | 34.2 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | -165.2 | 129 | 143.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | A | 32.1 | Very low | 35.2 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -142.2 | 144.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 105 | R | 32.5 | Very low | 35.4 | Very low | 253 Ų | 253 | 143.6 Ų | 143.6 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | | | trans | -153.7 | 158.1 | 156.8 | -79.5 | -147 | 172 | -157.6 | -2.9 | 112.1 | | |
| 106 | F | 27.5 | Very low | 35.8 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -69.6 | 146.5 | -165.6 | -97.7 | -127.8 | 0 | 0 | 0 | 117.5 | | |
| 107 | D | 33.6 | Very low | 35 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | | 15.2 | 157.9 | 119.6 | -84.7 | -93.7 | 0 | 0 | 0 | 122.3 | | |
| 108 | P | 49.9 | Very low | 35.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | cis | -135.9 | -179.8 | 18.2 | 42.1 | -25 | 0 | 0 | 0 | 118.5 | | |
| 109 | D | 31.4 | Very low | 36 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | | | trans | 83.6 | 109.1 | 151.4 | -81 | -56.6 | 0 | 0 | 0 | 121.4 | | |
| 110 | R | 36.3 | Very low | 36.9 | Very low | 233 Ų | 233 | 142.4 Ų | 142.4 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | 110.4 | 95.3 | 133.3 | -158.6 | 172.7 | -170.5 | 176.1 | 4.3 | 118.7 | | |
| 111 | D | 33.7 | Very low | 37.8 | Very low | 143 Ų | 143 | 142 Ų | 142 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | | | trans | -56.5 | 165.6 | 161 | -39.2 | -107.9 | 0 | 0 | 0 | 112.5 | | |
| 112 | N | 34.1 | Very low | 37.6 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | cis | -157.5 | 137.9 | 19.3 | -161.6 | -19.6 | 0 | 0 | 0 | 110.8 | | |
| 113 | A | 33.1 | Very low | 38.4 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | | | trans | -150.5 | 131.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 114 | P | 50.2 | Low | 39.7 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -87.5 | 150.2 | -176.9 | 34.6 | -35 | 0 | 0 | 0 | 113.2 | | |
| 115 | L | 36.8 | Very low | 40.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -131.5 | 158.6 | 168.1 | -71.7 | 175.9 | 0 | 0 | 0 | 110.6 | | |
| 116 | C | 36.6 | Very low | 41 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -116.9 | 144.1 | -155.3 | -54.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 117 | S | 33.8 | Very low | 41.6 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 92% | 0.923 | 81% | 0.805 | S | S | * | * | | | trans | -177.4 | 150.8 | 149.8 | -79.9 | 0 | 0 | 0 | 0 | 109 | | |
| 118 | G | 37.4 | Very low | 42.4 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | cis | 144.6 | 99 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 119 | S | 40.7 | Very low | 42.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -177.6 | 130.1 | 160.8 | 19.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 120 | D | 46.9 | Very low | 42.6 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -100.6 | 155.3 | 169.2 | -61.1 | -78.6 | 0 | 0 | 0 | 109.7 | | |
| 121 | N | 52.5 | Low | 43.4 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | | | trans | -153.6 | 73 | 177.6 | -142.6 | 116 | 0 | 0 | 0 | 113.3 | | |
| 122 | D | 46 | Very low | 43.8 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | | | trans | -76.9 | 146.2 | 163.6 | -89.3 | -62.3 | 0 | 0 | 0 | 111.3 | | |
| 123 | S | 51.1 | Low | 43.6 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | -165.9 | 142.9 | 160.3 | -78.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 124 | D | 57 | Low | 43.7 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -126.4 | 151.2 | -179.7 | -179.4 | 33.1 | 0 | 0 | 0 | 110 | | |
| 125 | S | 41.7 | Very low | 42.9 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | | | trans | 150 | 145.5 | 175.6 | 39.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 126 | G | 51.4 | Low | 42.8 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | cis | 116.2 | 102.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 127 | D | 39.7 | Very low | 42.6 | Very low | 170 Ų | 170 | 131 Ų | 131 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -172.4 | 166.7 | 151.1 | -114.6 | -44.2 | 0 | 0 | 0 | 110.8 | | |
| 128 | E | 50.7 | Low | 43.1 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -121.1 | -161.2 | -173.4 | -57.1 | -157.4 | 104.2 | 0 | 0 | 114.2 | | |
| 129 | D | 42.1 | Very low | 43.2 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | 81.7 | 133.6 | 168 | -69.9 | -43.4 | 0 | 0 | 0 | 122.3 | | |
| 130 | D | 43.3 | Very low | 43 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | | | trans | -81.8 | 168.5 | 173.4 | -75.9 | -71.9 | 0 | 0 | 0 | 112.8 | | |
| 131 | P | 51.9 | Low | 42.4 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | | -143.7 | 171.5 | 113.2 | 36.3 | -21.6 | 0 | 0 | 0 | 117.2 | | |
| 132 | V | 41.8 | Very low | 41.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 92% | 0.915 | 81% | 0.808 | S | S | * | * | | | trans | -86.4 | 148.8 | -163.7 | 59.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 133 | G | 31.7 | Very low | 40.9 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | 124.4 | 168.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 134 | S | 33.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | cis | -174.9 | 133.1 | -25.2 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 135 | L | 35.1 | Very low | 39 | Very low | 175 Ų | 175 | 141 Ų | 141 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | 55.9 | 158.9 | 160.4 | -97.2 | 70.6 | 0 | 0 | 0 | 122.6 | | |
| 136 | G | 33.9 | Very low | 38.8 | Very low | 72 Ų | 72 | 146.4 Ų | 146.4 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 105.5 | 84.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 137 | D | 33.5 | Very low | 37.8 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | | 85.4 | 148.4 | 78.4 | -165.8 | 37.4 | 0 | 0 | 0 | 115.3 | R139 | D137-R139 IonicContact OD2-CZ 3.94Å; D137-R139 IonicContact OD2-NH2 2.91Å; D137-R139 PolarHBondContact OD2-NH2 3.46Å |
| 138 | T | 42.8 | Very low | 37.9 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | | | trans | -95.8 | 145.1 | -164.5 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 139 | R | 40.9 | Very low | 37 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | 178.2 | 155.5 | 150.1 | -98.9 | 146.9 | -98.8 | -138.9 | 1.4 | 108.4 | D137 | D137-R139 IonicContact OD2-CZ 3.94Å; D137-R139 IonicContact OD2-NH2 2.91Å; D137-R139 PolarHBondContact OD2-NH2 3.46Å |
| 140 | R | 35.6 | Very low | 36.8 | Very low | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | cis | 157.6 | 108.7 | -21.9 | 175 | -175.3 | -164.3 | -124.4 | 9 | 105.8 | | |
| 141 | G | 33.4 | Very low | 36.3 | Very low | 70 Ų | 70 | 145.3 Ų | 145.3 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | 150.7 | 119.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 142 | V | 35.3 | Very low | 35.6 | Very low | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | cis | 104 | 128.4 | 21.9 | 176.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 143 | K | 33.3 | Very low | 35.4 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | 87 | 115.5 | 173.4 | -145.5 | 161.5 | -179 | -170.5 | 0 | 113.3 | | |
| 144 | R | 37.7 | Very low | 35.7 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | | 51.6 | 140.1 | 86.2 | -47.5 | 173.6 | -170 | 99.5 | -8.6 | 111.7 | | |
| 145 | E | 30.8 | Very low | 35.7 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 63% | 0.626 | 80% | 0.796 | S | S | * | * | | | cis | -165.3 | 159.3 | 40.9 | -170.2 | -174.4 | 130.6 | 0 | 0 | 110.3 | | |
| 146 | R | 35.6 | Very low | 35.9 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 48.8 | 153.9 | 157.9 | -93.4 | 144.9 | 144.8 | -173.4 | -5.7 | 120.6 | | |
| 147 | G | 31.5 | Very low | 35.8 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | cis | -167.2 | 178.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 148 | E | 41.4 | Very low | 36.1 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | -106.4 | 131 | -171.4 | 40.3 | -168.9 | 106 | 0 | 0 | 109.1 | | |
| 149 | M | 32.8 | Very low | 35.6 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 96% | 0.956 | 82% | 0.815 | S | S | * | * | | | trans | -148.2 | 143.9 | 164 | -164.3 | 156.1 | -172.4 | 0 | 0 | 112.2 | | |
| 150 | E | 38.1 | Very low | 35.6 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -90.3 | 162.6 | -172.8 | -174.3 | -173.4 | 146.8 | 0 | 0 | 112.4 | | |
| 151 | G | 31.1 | Very low | 37 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -167.2 | 117.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 152 | A | 37.5 | Very low | 37.9 | Very low | 82 Ų | 82 | 140.8 Ų | 140.8 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | | | trans | -124.1 | 142.3 | -167 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 153 | A | 38.8 | Very low | 37.9 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | | | trans | 52.9 | 150.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 154 | A | 36.7 | Very low | 38.2 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | 97.9 | 143.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 155 | G | 32.9 | Very low | 38.5 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | 149.1 | 133.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 156 | Q | 40.7 | Very low | 38.7 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -134.8 | 150.1 | 177.5 | -57.8 | 169.9 | -86.2 | 0 | 0 | 109.9 | | |
| 157 | E | 30.6 | Very low | 39.2 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | | | trans | -164.8 | -172 | 132.6 | -126.2 | -152.8 | 89 | 0 | 0 | 113.5 | | |
| 158 | L | 40.4 | Very low | 39.7 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | | | trans | -115.7 | 155 | -165.7 | -69 | 158.8 | 0 | 0 | 0 | 113 | | |
| 159 | G | 31.3 | Very low | 39.9 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | | | trans | 174.8 | 110.1 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 160 | V | 42.9 | Very low | 40.6 | Very low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | -160 | 151.8 | -177.6 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 161 | P | 65 | Low | 40.8 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | cis | -118.8 | -152.9 | -1.2 | 27.9 | -2.2 | 0 | 0 | 0 | 110.3 | | |
| 162 | P | 50.5 | Low | 41.7 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | cis | -134.7 | 175.5 | -4 | 43.2 | -26.1 | 0 | 0 | 0 | 117.4 | | |
| 163 | G | 37.2 | Very low | 42.3 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | | | trans | 100 | 65.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 164 | G | 39.3 | Very low | 43.2 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | -151.4 | 120.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G166 | G164-G166 PolarHBondContact O-N 2.85Å; G164-G166 VanDerWaalsContact O-N 3.1Å |
| 165 | Y | 43 | Very low | 44.1 | Very low | 227 Ų | 227 | 119.7 Ų | 119.7 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -64.5 | 103.9 | -179.6 | 33.8 | -88.3 | 0 | 0 | 0 | 111.1 | M167 | Y165-M167 PolarHBondContact O-N 2.91Š|
| 166 | G | 35.3 | Very low | 45.6 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -69 | 95.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G164 V168 | G164-G166 PolarHBondContact O-N 2.85Å; G164-G166 VanDerWaalsContact O-N 3.1Å; G166-V168 PolarHBondContact O-N 2.71Å |
| 167 | M | 46.3 | Very low | 46.5 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | | | trans | -58.9 | 116.1 | 164.8 | 177.9 | 74.3 | 91.2 | 0 | 0 | 108.6 | Y165 T169 | Y165-M167 PolarHBondContact O-N 2.91Å; M167-T169 HydrophobicContact CG-CG2 3.99Å; M167-T169 PolarHBondContact O-N 2.62Å |
| 168 | V | 42.9 | Very low | 48.4 | Very low | 141 Ų | 141 | 116.8 Ų | 116.8 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -76.2 | 71.6 | 179.3 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | G166 G170 | G166-V168 PolarHBondContact O-N 2.71Å; V168-G170 PolarHBondContact O-N 3.37Å |
| 169 | T | 44 | Very low | 50.1 | Low | 118 Ų | 118 | 118.1 Ų | 118.1 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -70.7 | 99.2 | 167.7 | 42 | 0 | 0 | 0 | 0 | 109.2 | M167 G171 | M167-T169 HydrophobicContact CG-CG2 3.99Å; M167-T169 PolarHBondContact O-N 2.62Å; T169-G171 PolarHBondContact O-N 3.1Å |
| 170 | G | 48.3 | Very low | 52.7 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -66.3 | 65.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | V168 V172 | V168-G170 PolarHBondContact O-N 3.37Å; G170-V172 PolarHBondContact O-N 3.22Å |
| 171 | G | 41.8 | Very low | 55 | Low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -72.1 | 91.2 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T169 A173 | T169-G171 PolarHBondContact O-N 3.1Å; G171-A173 PolarHBondContact O-N 3.5Å |
| 172 | V | 50.8 | Low | 56.2 | Low | 137 Ų | 137 | 128.3 Ų | 128.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -63.4 | 94.8 | 167.4 | -76.9 | 0 | 0 | 0 | 0 | 110.1 | G170 G174 | G170-V172 PolarHBondContact O-N 3.22Å; V172-G174 PolarHBondContact O-N 3.46Å |
| 173 | A | 49.6 | Very low | 58.3 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 128.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G171 | G171-A173 PolarHBondContact O-N 3.5Š|
| 174 | G | 56.7 | Low | 61 | Low | 75 Ų | 75 | 132.9 Ų | 132.9 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.9 | -21.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V172 K176 | V172-G174 PolarHBondContact O-N 3.46Å; G174-K176 PolarHBondContact O-N 3.35Å; G174-K176 VanDerWaalsContact O-N 3.16Å |
| 175 | A | 56.7 | Low | 63.7 | Low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -76.7 | 100.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P177 | A175-P177 WeakPolarHBondContact O-CD 3.47Š|
| 176 | K | 64.5 | Low | 66.3 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -61.2 | 118.1 | 170.9 | -68.8 | -173.7 | 177 | -175 | 0 | 110 | G174 | G174-K176 PolarHBondContact O-N 3.35Å; G174-K176 VanDerWaalsContact O-N 3.16Å |
| 177 | P | 58.7 | Low | 69.2 | Low | 134 Ų | 134 | 130.9 Ų | 130.9 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -68.9 | 140.1 | 177.4 | 29.2 | -34 | 0 | 0 | 0 | 110.2 | A175 | A175-P177 WeakPolarHBondContact O-CD 3.47Š|
| 178 | G | 71.6 | Confident | 71.7 | Confident | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | trans | 142.2 | -11.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 179 | K | 75.3 | Confident | 74.3 | Confident | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -124.2 | 108.1 | 176.9 | -66.1 | -170.5 | 178.9 | -175.5 | 0 | 111.7 | T181 | K179-T181 PolarHBondContact O-N 2.97Š|
| 180 | K | 87.3 | Confident | 76.8 | Confident | 218 Ų | 218 | 130.3 Ų | 130.3 | 95% | 0.948 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -59.7 | -24.7 | -177.7 | -62.4 | -177.5 | -178.9 | 179.8 | 0 | 113.6 | | |
| 181 | T | 90.8 | Very high | 79.1 | Confident | 109 Ų | 109 | 133 Ų | 133 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -145.9 | 168.5 | 172.1 | 74 | 0 | 0 | 0 | 0 | 111.6 | K179 G183 | K179-T181 PolarHBondContact O-N 2.97Å; T181-G183 PolarHBondContact O-N 2.82Å; T181-G183 PolarHBondContact OG1-N 2.73Å |
| 182 | R | 90.4 | Very high | 81.8 | Confident | 215 Ų | 215 | 131.1 Ų | 131.1 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | | | trans | -75.4 | -1.6 | 173.4 | -167.8 | 167.1 | 62 | 165.9 | -3.6 | 114.1 | V185 | R182-V185 HydrophobicContact CG-CG2 4.18Š|
| 183 | G | 93.6 | Very high | 84 | Confident | 52 Ų | 52 | 130.6 Ų | 130.6 | 54% | 0.536 | 69% | 0.694 | S | S | . | * | | | trans | 67.2 | -160.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T181 V185 | T181-G183 PolarHBondContact O-N 2.82Å; T181-G183 PolarHBondContact OG1-N 2.73Å; G183-V185 PolarHBondContact O-N 2.64Å |
| 184 | R | 94.3 | Very high | 86.3 | Confident | 253 Ų | 253 | 129.4 Ų | 129.4 | 96% | 0.955 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -74 | 108.2 | 178.5 | -179.5 | 179 | 174.9 | 178.7 | -2.8 | 110.5 | | |
| 185 | V | 96.4 | Very high | 88.2 | Confident | 70 Ų | 70 | 131.7 Ų | 131.7 | 42% | 0.424 | 66% | 0.661 | S | S | . | * | | | trans | -84.6 | 137.1 | -180 | -166.4 | 0 | 0 | 0 | 0 | 110.9 | R182 G183 | R182-V185 HydrophobicContact CG-CG2 4.18Å; G183-V185 PolarHBondContact O-N 2.64Å |
| 186 | K | 96.4 | Very high | 90.2 | Very high | 200 Ų | 200 | 133.6 Ų | 133.6 | 87% | 0.87 | 66% | 0.658 | S | S | * | * | | | trans | -67.9 | 139 | 169.8 | -174.4 | 176 | 179.1 | 179.4 | 0 | 109.9 | | |
| 187 | I | 97 | Very high | 91.8 | Very high | 62 Ų | 62 | 130.7 Ų | 130.7 | 32% | 0.318 | 64% | 0.641 | S | S | . | * | | | trans | -128.6 | 155.8 | 174.7 | 61.8 | 175.2 | 0 | 0 | 0 | 109.5 | I192 | I187-I192 HydrophobicContact CD1-CD1 4.12Š|
| 188 | K | 97.7 | Very high | 93.6 | Very high | 146 Ų | 146 | 126.6 Ų | 126.6 | 64% | 0.635 | 61% | 0.609 | S | S | * | * | | | trans | -68.3 | 150.9 | 173.7 | -175.1 | 164.8 | 163.3 | -142 | 0 | 109.8 | E190 | K188-E190 VanDerWaalsContact C-N 3.33Å; K188-E190 HydrophobicContact CB-CG 4.19Å; K188-E190 WeakPolarHBondContact CB-OE1 3.3Å; K188-E190 VanDerWaalsContact CD-CD 3.47Å; K188-E190 HydrophobicContact CD-CG 4.4Å; K188-E190 VanDerWaalsContact CD-OE1 3.28Å; K188-E190 WeakPolarHBondContact CD-OE1 3.46Å; K188-E190 WeakPolarHBondContact CD-OE2 3.3Å; K188-E190 WeakPolarHBondContact CE-OE2 3.47Å; K188-E190 HydrophobicContact CG-CB 4.34Å; K188-E190 HydrophobicContact CG-CG 4.01Å; K188-E190 WeakPolarHBondContact CG-OE1 3.43Å; K188-E190 IonicContact NZ-OE1 2.64Å; K188-E190 IonicContact NZ-OE2 3.48Å; K188-E190 PolarHBondContact NZ-OE2 2.95Å; K188-E190 PolarHBondContact O-N 2.64Å |
| 189 | M | 97.4 | Very high | 94.9 | Very high | 155 Ų | 155 | 126.5 Ų | 126.5 | 76% | 0.764 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -92.1 | 73.7 | 178.8 | -73.6 | -62.5 | -65.8 | 0 | 0 | 109.4 | | |
| 190 | E | 97.3 | Very high | 95.9 | Very high | 106 Ų | 106 | 121.4 Ų | 121.4 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -140.8 | 178 | 179.5 | 67 | -166.9 | 155 | 0 | 0 | 109.5 | K188 | K188-E190 VanDerWaalsContact C-N 3.33Å; K188-E190 HydrophobicContact CB-CG 4.19Å; K188-E190 WeakPolarHBondContact CB-OE1 3.3Å; K188-E190 VanDerWaalsContact CD-CD 3.47Å; K188-E190 HydrophobicContact CD-CG 4.4Å; K188-E190 VanDerWaalsContact CD-OE1 3.28Å; K188-E190 WeakPolarHBondContact CD-OE1 3.46Å; K188-E190 WeakPolarHBondContact CD-OE2 3.3Å; K188-E190 WeakPolarHBondContact CE-OE2 3.47Å; K188-E190 HydrophobicContact CG-CB 4.34Å; K188-E190 HydrophobicContact CG-CG 4.01Å; K188-E190 WeakPolarHBondContact CG-OE1 3.43Å; K188-E190 IonicContact NZ-OE1 2.64Å; K188-E190 IonicContact NZ-OE2 3.48Å; K188-E190 PolarHBondContact NZ-OE2 2.95Å; K188-E190 PolarHBondContact O-N 2.64Å |
| 191 | F | 97.4 | Very high | 96.4 | Very high | 131 Ų | 131 | 112.6 Ų | 112.6 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | | | trans | -62.9 | 136.3 | 172.7 | -172.7 | -115.3 | 0 | 0 | 0 | 110.8 | D193 R198 | F191-D193 PolarHBondContact O-N 3.33Å; F191-R198 VanDerWaalsContact CZ-NH2 3.32Å |
| 192 | I | 97.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 109.9 Ų | 109.9 | 14% | 0.144 | 51% | 0.514 | C | S | . | . | | | trans | -94.2 | 97.3 | -177.8 | -57.9 | 175.6 | 0 | 0 | 0 | 108.3 | I187 N194 R197 R198 T201 | I187-I192 HydrophobicContact CD1-CD1 4.12Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 2.87Å; I192-R197 HydrophobicContact CG2-CB 3.88Å; I192-R198 HydrophobicContact CB-CB 4.18Å; I192-R198 HydrophobicContact CB-CG 4.32Å; I192-R198 HydrophobicContact CG2-CB 4.27Å; I192-R198 VanDerWaalsContact O-CZ 3.31Å; I192-R198 PolarHBondContact O-NE 3.38Å; I192-R198 PolarHBondContact O-NH2 2.91Å; I192-T201 HydrophobicContact CD1-CG2 3.86Å |
| 193 | D | 98 | Very high | 97.2 | Very high | 126 Ų | 126 | 102.7 Ų | 102.7 | 67% | 0.674 | 50% | 0.496 | S | S | * | . | | | trans | -58.1 | -38.5 | -173.7 | -51.4 | -57.5 | 0 | 0 | 0 | 113.4 | F191 K195 R198 | F191-D193 PolarHBondContact O-N 3.33Å; D193-K195 PolarHBondContact O-N 3.2Å; D193-R198 PolarHBondContact O-NH2 3.29Å |
| 194 | N | 97.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 108.2 Ų | 108.2 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -70 | 103.8 | 178.2 | -177.5 | -76.4 | 0 | 0 | 0 | 111.3 | I192 L196 R197 R198 | I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 2.87Å; N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.09Å; N194-L196 PolarHBondContact OD1-N 3.18Å; N194-R197 HydrophobicContact CB-CB 4.13Å; N194-R197 HydrophobicContact CB-CG 4.33Å; N194-R197 CarbonylContact O-C 3.57Å; N194-R197 PolarHBondContact O-N 3.08Å; N194-R197 WeakPolarHBondContact OD1-CG 3.25Å; N194-R197 PolarHBondContact OD1-N 3.07Å; N194-R198 PolarHBondContact O-N 3.46Å |
| 195 | K | 97.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 102.1 Ų | 102.1 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -47.9 | -43.4 | -177.9 | -170 | 166.6 | -174.7 | 169.9 | 0 | 114.5 | D193 R198 Y199 | D193-K195 PolarHBondContact O-N 3.2Å; K195-R198 WeakPolarHBondContact O-CB 3.49Å; K195-R198 PolarHBondContact O-N 3.01Å; K195-Y199 HydrophobicContact CD-CE2 4.09Å; K195-Y199 VanDerWaalsContact CE-CE2 3.48Å; K195-Y199 WeakPolarHBondContact CE-OH 3.14Å; K195-Y199 HydrophobicContact CG-CD2 4.01Å; K195-Y199 HydrophobicContact CG-CE2 3.5Å; K195-Y199 WeakPolarHBondContact O-CD2 3.19Å; K195-Y199 PolarHBondContact O-N 2.9Å |
| 196 | L | 97.7 | Very high | 97.7 | Very high | 133 Ų | 133 | 100.6 Ų | 100.6 | 70% | 0.696 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.6 | -43.2 | 178.1 | -63.8 | 176.9 | 0 | 0 | 0 | 112.4 | N194 R198 T200 | N194-L196 VanDerWaalsContact C-N 3.32Å; N194-L196 PolarHBondContact O-N 3.09Å; N194-L196 PolarHBondContact OD1-N 3.18Å; L196-R198 VanDerWaalsContact C-N 3.3Å; L196-T200 WeakPolarHBondContact O-CB 3.3Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 3.41Å; L196-T200 VanDerWaalsContact O-N 3.08Å; L196-T200 PolarHBondContact O-OG1 3.24Å |
| 197 | R | 97.4 | Very high | 97.8 | Very high | 134 Ų | 134 | 95.6 Ų | 95.6 | 51% | 0.506 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66 | -33.4 | 172.8 | -71.7 | -179.5 | 61.5 | -150.4 | -7.3 | 111.9 | I192 N194 T200 T201 | I192-R197 HydrophobicContact CG2-CB 3.88Å; N194-R197 HydrophobicContact CB-CB 4.13Å; N194-R197 HydrophobicContact CB-CG 4.33Å; N194-R197 CarbonylContact O-C 3.57Å; N194-R197 PolarHBondContact O-N 3.08Å; N194-R197 WeakPolarHBondContact OD1-CG 3.25Å; N194-R197 PolarHBondContact OD1-N 3.07Å; R197-T200 WeakPolarHBondContact CA-OG1 3.24Å; R197-T200 PolarHBondContact O-OG1 3.27Å; R197-T201 WeakPolarHBondContact O-CB 3.29Å; R197-T201 PolarHBondContact O-N 3.05Å; R197-T201 PolarHBondContact O-OG1 3.21Å |
| 198 | R | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 94.5 Ų | 94.5 | 18% | 0.181 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.9 | -55.7 | 175.5 | -164.9 | -170.9 | -55.4 | 156.9 | 5.1 | 110.9 | F191 I192 D193 N194 K195 L196 T200 T201 F202 E231 | F191-R198 VanDerWaalsContact CZ-NH2 3.32Å; I192-R198 HydrophobicContact CB-CB 4.18Å; I192-R198 HydrophobicContact CB-CG 4.32Å; I192-R198 HydrophobicContact CG2-CB 4.27Å; I192-R198 VanDerWaalsContact O-CZ 3.31Å; I192-R198 PolarHBondContact O-NE 3.38Å; I192-R198 PolarHBondContact O-NH2 2.91Å; D193-R198 PolarHBondContact O-NH2 3.29Å; N194-R198 PolarHBondContact O-N 3.46Å; K195-R198 WeakPolarHBondContact O-CB 3.49Å; K195-R198 PolarHBondContact O-N 3.01Å; L196-R198 VanDerWaalsContact C-N 3.3Å; R198-T200 PolarHBondContact O-N 3.13Å; R198-T201 CarbonylContact O-C 3.57Å; R198-T201 PolarHBondContact O-N 3.48Å; R198-T201 VanDerWaalsContact O-N 3.15Å; R198-F202 WeakPolarHBondContact O-CB 3.28Å; R198-F202 PolarHBondContact O-N 2.8Å; R198-E231 WeakPolarHBondContact CD-OE1 3.38Å; R198-E231 IonicContact CZ-OE1 2.7Å; R198-E231 IonicContact NE-OE1 2.64Å; R198-E231 IonicContact NH1-OE1 3.4Å; R198-E231 PolarHBondContact NH1-OE1 3.45Å; R198-E231 IonicContact NH1-OE2 2.63Å; R198-E231 PolarHBondContact NH1-OE2 3.07Å |
| 199 | Y | 97.5 | Very high | 97.9 | Very high | 74 Ų | 74 | 91.8 Ų | 91.8 | 29% | 0.29 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 178.5 | -69.9 | -44.3 | 0 | 0 | 0 | 113 | K195 T201 F202 S203 E231 | K195-Y199 HydrophobicContact CD-CE2 4.09Å; K195-Y199 VanDerWaalsContact CE-CE2 3.48Å; K195-Y199 WeakPolarHBondContact CE-OH 3.14Å; K195-Y199 HydrophobicContact CG-CD2 4.01Å; K195-Y199 HydrophobicContact CG-CE2 3.5Å; K195-Y199 WeakPolarHBondContact O-CD2 3.19Å; K195-Y199 PolarHBondContact O-N 2.9Å; Y199-T201 VanDerWaalsContact C-N 3.25Å; Y199-T201 PolarHBondContact O-N 3.01Å; Y199-F202 WeakPolarHBondContact O-CB 3.46Å; Y199-F202 PolarHBondContact O-N 2.95Å; Y199-S203 PolarHBondContact O-N 3.1Å; Y199-S203 PolarHBondContact O-OG 2.85Å; Y199-E231 HydrophobicContact CE1-CB 4.28Å; Y199-E231 WeakPolarHBondContact CE1-OE2 3.28Å |
| 200 | T | 97.8 | Very high | 97.9 | Very high | 84 Ų | 84 | 85.9 Ų | 85.9 | 52% | 0.515 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.6 | -28.4 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | L196 R197 R198 K204 | L196-T200 WeakPolarHBondContact O-CB 3.3Å; L196-T200 WeakPolarHBondContact O-CG2 3.48Å; L196-T200 PolarHBondContact O-N 3.41Å; L196-T200 VanDerWaalsContact O-N 3.08Å; L196-T200 PolarHBondContact O-OG1 3.24Å; R197-T200 WeakPolarHBondContact CA-OG1 3.24Å; R197-T200 PolarHBondContact O-OG1 3.27Å; R198-T200 PolarHBondContact O-N 3.13Å; T200-K204 WeakPolarHBondContact O-CG 3.45Å |
| 201 | T | 97.8 | Very high | 98 | Very high | 33 Ų | 33 | 87.1 Ų | 87.1 | 20% | 0.202 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -77.5 | -40.8 | 171.6 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | I192 R197 R198 Y199 K204 R205 | I192-T201 HydrophobicContact CD1-CG2 3.86Å; R197-T201 WeakPolarHBondContact O-CB 3.29Å; R197-T201 PolarHBondContact O-N 3.05Å; R197-T201 PolarHBondContact O-OG1 3.21Å; R198-T201 CarbonylContact O-C 3.57Å; R198-T201 PolarHBondContact O-N 3.48Å; R198-T201 VanDerWaalsContact O-N 3.15Å; Y199-T201 VanDerWaalsContact C-N 3.25Å; Y199-T201 PolarHBondContact O-N 3.01Å; T201-K204 PolarHBondContact O-N 3.01Å; T201-R205 HydrophobicContact CG2-CG 4.08Å; T201-R205 WeakPolarHBondContact O-CB 3.44Å; T201-R205 WeakPolarHBondContact O-CG 3.5Å; T201-R205 PolarHBondContact O-N 2.84Å |
| 202 | F | 98.3 | Very high | 98.1 | Very high | 53 Ų | 53 | 87.2 Ų | 87.2 | 23% | 0.232 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.2 | -55.8 | 176.3 | 172.4 | -94.7 | 0 | 0 | 0 | 110.5 | R198 Y199 K204 R205 K206 V228 A229 Y236 | R198-F202 WeakPolarHBondContact O-CB 3.28Å; R198-F202 PolarHBondContact O-N 2.8Å; Y199-F202 WeakPolarHBondContact O-CB 3.46Å; Y199-F202 PolarHBondContact O-N 2.95Å; F202-K204 VanDerWaalsContact C-N 3.31Å; F202-K204 PolarHBondContact O-N 3.18Å; F202-R205 PolarHBondContact O-N 3.06Å; F202-K206 HydrophobicContact CE1-CD 3.9Å; F202-K206 HydrophobicContact CZ-CD 4Å; F202-K206 WeakPolarHBondContact O-CB 3.02Å; F202-K206 PolarHBondContact O-N 2.84Å; F202-V228 HydrophobicContact CE2-CG1 3.62Å; F202-V228 HydrophobicContact CZ-CG1 3.87Å; F202-A229 WeakPolarHBondContact CE2-O 3.24Å; F202-Y236 HydrophobicContact CE1-CE2 4.02Å; F202-Y236 HydrophobicContact CZ-CD2 4.27Å; F202-Y236 HydrophobicContact CZ-CE2 4.13Å |
| 203 | S | 97.8 | Very high | 98.1 | Very high | 63 Ų | 63 | 86.4 Ų | 86.4 | 44% | 0.441 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | -178.9 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | Y199 T207 | Y199-S203 PolarHBondContact O-N 3.1Å; Y199-S203 PolarHBondContact O-OG 2.85Å; S203-T207 PolarHBondContact O-N 2.85Å; S203-T207 VanDerWaalsContact O-N 3.16Å; S203-T207 PolarHBondContact O-OG1 3.44Å |
| 204 | K | 97.9 | Very high | 98.1 | Very high | 169 Ų | 169 | 86.8 Ų | 86.8 | 74% | 0.735 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.5 | -43.9 | 177.4 | -71.5 | 180 | 179.8 | -175.9 | 0 | 112.9 | T200 T201 F202 G208 | T200-K204 WeakPolarHBondContact O-CG 3.45Å; T201-K204 PolarHBondContact O-N 3.01Å; F202-K204 VanDerWaalsContact C-N 3.31Å; F202-K204 PolarHBondContact O-N 3.18Å; K204-G208 PolarHBondContact O-N 3.18Å; K204-G208 VanDerWaalsContact O-N 3.17Å |
| 205 | R | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 84.9 Ų | 84.9 | 47% | 0.472 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.9 | -75.2 | -174.1 | 179.4 | -164.5 | -0.8 | 111.2 | T201 F202 G208 I209 | T201-R205 HydrophobicContact CG2-CG 4.08Å; T201-R205 WeakPolarHBondContact O-CB 3.44Å; T201-R205 WeakPolarHBondContact O-CG 3.5Å; T201-R205 PolarHBondContact O-N 2.84Å; F202-R205 PolarHBondContact O-N 3.06Å; R205-G208 PolarHBondContact O-N 3.17Å; R205-I209 WeakPolarHBondContact O-CG2 3.44Å; R205-I209 PolarHBondContact O-N 2.97Å |
| 206 | K | 98.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 83.4 Ų | 83.4 | 17% | 0.165 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -54.6 | -53 | 176.7 | -176 | -179.3 | 79.9 | 83 | 0 | 111.6 | F202 G208 I209 M210 V228 Y236 | F202-K206 HydrophobicContact CE1-CD 3.9Å; F202-K206 HydrophobicContact CZ-CD 4Å; F202-K206 WeakPolarHBondContact O-CB 3.02Å; F202-K206 PolarHBondContact O-N 2.84Å; K206-G208 VanDerWaalsContact C-N 3.32Å; K206-G208 PolarHBondContact O-N 3.42Å; K206-I209 WeakPolarHBondContact O-CG2 3.47Å; K206-I209 PolarHBondContact O-N 2.87Å; K206-M210 HydrophobicContact CG-CG 4.45Å; K206-M210 WeakPolarHBondContact O-CB 3.47Å; K206-M210 WeakPolarHBondContact O-CG 3.39Å; K206-M210 PolarHBondContact O-N 3.16Å; K206-V228 HydrophobicContact CG-CG1 4.47Å; K206-Y236 HydrophobicContact CD-CD1 4.13Å; K206-Y236 HydrophobicContact CD-CD2 3.39Å; K206-Y236 HydrophobicContact CD-CE1 4.44Å; K206-Y236 HydrophobicContact CD-CE2 3.74Å; K206-Y236 HydrophobicContact CD-CG 3.59Å |
| 207 | T | 98.5 | Very high | 98.3 | Very high | 94 Ų | 94 | 77.9 Ų | 77.9 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S203 K211 | S203-T207 PolarHBondContact O-N 2.85Å; S203-T207 VanDerWaalsContact O-N 3.16Å; S203-T207 PolarHBondContact O-OG1 3.44Å; T207-K211 PolarHBondContact O-N 2.91Å |
| 208 | G | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 75.6 Ų | 75.6 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K204 R205 K206 K211 K212 | K204-G208 PolarHBondContact O-N 3.18Å; K204-G208 VanDerWaalsContact O-N 3.17Å; R205-G208 PolarHBondContact O-N 3.17Å; K206-G208 VanDerWaalsContact C-N 3.32Å; K206-G208 PolarHBondContact O-N 3.42Å; G208-K211 PolarHBondContact O-N 3.01Å; G208-K212 WeakPolarHBondContact O-CG 3.49Å; G208-K212 PolarHBondContact O-N 3.06Å |
| 209 | I | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 80.2 Ų | 80.2 | 46% | 0.456 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | -179.9 | -165.7 | 171.9 | 0 | 0 | 0 | 112.1 | R205 K206 K212 A213 L226 | R205-I209 WeakPolarHBondContact O-CG2 3.44Å; R205-I209 PolarHBondContact O-N 2.97Å; K206-I209 WeakPolarHBondContact O-CG2 3.47Å; K206-I209 PolarHBondContact O-N 2.87Å; I209-K212 PolarHBondContact O-N 3.08Å; I209-A213 PolarHBondContact O-N 3.02Å; I209-L226 HydrophobicContact CD1-CD1 4.28Å; I209-L226 HydrophobicContact CG1-CD2 4.07Å; I209-L226 HydrophobicContact CG2-CD2 4.21Å |
| 210 | M | 98.5 | Very high | 98.4 | Very high | 31 Ų | 31 | 80.5 Ų | 80.5 | 15% | 0.153 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 171.8 | -70.2 | -71.1 | 174.9 | 0 | 0 | 111.3 | K206 K212 A213 Y214 L226 V228 Y236 F238 | K206-M210 HydrophobicContact CG-CG 4.45Å; K206-M210 WeakPolarHBondContact O-CB 3.47Å; K206-M210 WeakPolarHBondContact O-CG 3.39Å; K206-M210 PolarHBondContact O-N 3.16Å; M210-K212 VanDerWaalsContact C-N 3.31Å; M210-K212 PolarHBondContact O-N 2.64Å; M210-A213 PolarHBondContact O-N 3.19Å; M210-Y214 PolarHBondContact O-N 2.92Å; M210-L226 HydrophobicContact CE-CD2 4.01Å; M210-L226 HydrophobicContact CE-CG 3.96Å; M210-L226 HydrophobicContact CG-CD2 4.27Å; M210-L226 HydrophobicContact SD-CD2 3.59Å; M210-L226 VanDerWaalsContact SD-CD2 3.59Å; M210-L226 HydrophobicContact SD-CG 4.09Å; M210-V228 HydrophobicContact CE-CB 4.24Å; M210-V228 HydrophobicContact CE-CG2 3.89Å; M210-Y236 WeakPolarHBondContact CE-O 3.5Å; M210-F238 HydrophobicContact SD-CB 3.61Å |
| 211 | K | 98.7 | Very high | 98.3 | Very high | 131 Ų | 131 | 79.2 Ų | 79.2 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 173.9 | -165.4 | 179.8 | -166.7 | -92.7 | 0 | 111.7 | T207 G208 Y214 E215 | T207-K211 PolarHBondContact O-N 2.91Å; G208-K211 PolarHBondContact O-N 3.01Å; K211-Y214 PolarHBondContact O-N 3.15Å; K211-E215 HydrophobicContact CG-CG 4.4Å; K211-E215 WeakPolarHBondContact CG-OE1 3.16Å; K211-E215 IonicContact NZ-OE1 3.54Å; K211-E215 PolarHBondContact NZ-OE1 3.35Å; K211-E215 WeakPolarHBondContact O-CB 3.39Å; K211-E215 VanDerWaalsContact O-CG 3.29Å; K211-E215 WeakPolarHBondContact O-CG 3.2Å; K211-E215 PolarHBondContact O-N 2.81Å |
| 212 | K | 98.7 | Very high | 98.4 | Very high | 134 Ų | 134 | 80.7 Ų | 80.7 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.2 | -33.7 | 177.9 | -76.5 | -74.4 | 163 | -158 | 0 | 113.6 | G208 I209 M210 E215 L216 | G208-K212 WeakPolarHBondContact O-CG 3.49Å; G208-K212 PolarHBondContact O-N 3.06Å; I209-K212 PolarHBondContact O-N 3.08Å; M210-K212 VanDerWaalsContact C-N 3.31Å; M210-K212 PolarHBondContact O-N 2.64Å; K212-E215 VanDerWaalsContact CD-OE2 3.3Å; K212-E215 WeakPolarHBondContact CD-OE2 3.33Å; K212-E215 WeakPolarHBondContact CE-OE2 3.41Å; K212-E215 IonicContact NZ-OE2 3.86Å; K212-E215 PolarHBondContact NZ-OE2 3.1Å; K212-L216 VanDerWaalsContact O-CB 3.25Å; K212-L216 WeakPolarHBondContact O-CB 3.36Å; K212-L216 PolarHBondContact O-N 3.18Å |
| 213 | A | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 82.2 Ų | 82.2 | 8% | 0.083 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I209 M210 S217 V224 L226 F238 | I209-A213 PolarHBondContact O-N 3.02Å; M210-A213 PolarHBondContact O-N 3.19Å; A213-S217 PolarHBondContact O-N 3.18Å; A213-S217 VanDerWaalsContact O-N 3.09Å; A213-V224 HydrophobicContact CB-CG1 4.03Å; A213-L226 HydrophobicContact CB-CB 4.35Å; A213-L226 HydrophobicContact CB-CD2 3.74Å; A213-F238 HydrophobicContact CB-CD1 3.55Å; A213-F238 HydrophobicContact CB-CE1 3.88Å; A213-F238 HydrophobicContact CB-CG 4.33Å; A213-F238 WeakPolarHBondContact O-CE1 3.38Å |
| 214 | Y | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 80.2 Ų | 80.2 | 53% | 0.525 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -53.4 | 171.5 | 174.8 | -96 | 0 | 0 | 0 | 111.9 | M210 K211 L216 S217 T218 F238 | M210-Y214 PolarHBondContact O-N 2.92Å; K211-Y214 PolarHBondContact O-N 3.15Å; Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 3.35Å; Y214-S217 PolarHBondContact O-N 3.26Å; Y214-T218 WeakPolarHBondContact O-CB 3.5Å; Y214-T218 PolarHBondContact O-N 3.26Å; Y214-T218 PolarHBondContact O-OG1 3.2Å; Y214-F238 HydrophobicContact CD2-CE2 4.07Å; Y214-F238 HydrophobicContact CD2-CZ 4.46Å |
| 215 | E | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 75.7 Ų | 75.7 | 20% | 0.201 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.6 | -46.2 | 177.3 | -74.6 | 169.6 | -174.5 | 0 | 0 | 111.8 | K211 K212 L219 | K211-E215 HydrophobicContact CG-CG 4.4Å; K211-E215 WeakPolarHBondContact CG-OE1 3.16Å; K211-E215 IonicContact NZ-OE1 3.54Å; K211-E215 PolarHBondContact NZ-OE1 3.35Å; K211-E215 WeakPolarHBondContact O-CB 3.39Å; K211-E215 VanDerWaalsContact O-CG 3.29Å; K211-E215 WeakPolarHBondContact O-CG 3.2Å; K211-E215 PolarHBondContact O-N 2.81Å; K212-E215 VanDerWaalsContact CD-OE2 3.3Å; K212-E215 WeakPolarHBondContact CD-OE2 3.33Å; K212-E215 WeakPolarHBondContact CE-OE2 3.41Å; K212-E215 IonicContact NZ-OE2 3.86Å; K212-E215 PolarHBondContact NZ-OE2 3.1Å; E215-L219 VanDerWaalsContact O-CB 3.24Å; E215-L219 WeakPolarHBondContact O-CB 3.18Å; E215-L219 WeakPolarHBondContact O-CD1 3.46Å; E215-L219 WeakPolarHBondContact O-CG 3.15Å; E215-L219 PolarHBondContact O-N 3.43Å |
| 216 | L | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 71 Ų | 71 | 48% | 0.482 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -50.9 | 177.5 | 175.8 | 61.6 | 0 | 0 | 0 | 111.7 | K212 Y214 T220 V224 | K212-L216 VanDerWaalsContact O-CB 3.25Å; K212-L216 WeakPolarHBondContact O-CB 3.36Å; K212-L216 PolarHBondContact O-N 3.18Å; Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 3.35Å; L216-T220 HydrophobicContact CD1-CG2 4.16Å; L216-T220 WeakPolarHBondContact O-CB 3.45Å; L216-T220 PolarHBondContact O-N 2.84Å; L216-T220 PolarHBondContact O-OG1 2.82Å; L216-V224 HydrophobicContact CD2-CG2 4.23Å; L216-V224 HydrophobicContact CG-CG2 4.37Å |
| 217 | S | 98.3 | Very high | 98.4 | Very high | 17 Ų | 17 | 72.4 Ų | 72.4 | 12% | 0.119 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -44.8 | -178 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | A213 Y214 T220 G221 T222 T240 | A213-S217 PolarHBondContact O-N 3.18Å; A213-S217 VanDerWaalsContact O-N 3.09Å; Y214-S217 PolarHBondContact O-N 3.26Å; S217-T220 PolarHBondContact O-N 2.78Å; S217-G221 VanDerWaalsContact O-CA 3.3Å; S217-G221 WeakPolarHBondContact O-CA 3.33Å; S217-G221 PolarHBondContact O-N 3.27Å; S217-T222 PolarHBondContact OG-O 3.18Å; S217-T240 WeakPolarHBondContact OG-CG2 3.32Å |
| 218 | T | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | -179.6 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | Y214 T220 | Y214-T218 WeakPolarHBondContact O-CB 3.5Å; Y214-T218 PolarHBondContact O-N 3.26Å; Y214-T218 PolarHBondContact O-OG1 3.2Å; T218-T220 VanDerWaalsContact C-N 3.34Å; T218-T220 PolarHBondContact O-N 3.22Å |
| 219 | L | 98.5 | Very high | 98.3 | Very high | 146 Ų | 146 | 69.4 Ų | 69.4 | 76% | 0.764 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -76.2 | -17.6 | -177.4 | -67 | 171.1 | 0 | 0 | 0 | 114.1 | E215 | E215-L219 VanDerWaalsContact O-CB 3.24Å; E215-L219 WeakPolarHBondContact O-CB 3.18Å; E215-L219 WeakPolarHBondContact O-CD1 3.46Å; E215-L219 WeakPolarHBondContact O-CG 3.15Å; E215-L219 PolarHBondContact O-N 3.43Å |
| 220 | T | 98.5 | Very high | 98.2 | Very high | 79 Ų | 79 | 66 Ų | 66 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -124.2 | -7.2 | -174.3 | 65.8 | 0 | 0 | 0 | 0 | 114.7 | L216 S217 T218 T222 | L216-T220 HydrophobicContact CD1-CG2 4.16Å; L216-T220 WeakPolarHBondContact O-CB 3.45Å; L216-T220 PolarHBondContact O-N 2.84Å; L216-T220 PolarHBondContact O-OG1 2.82Å; S217-T220 PolarHBondContact O-N 2.78Å; T218-T220 VanDerWaalsContact C-N 3.34Å; T218-T220 PolarHBondContact O-N 3.22Å; T220-T222 PolarHBondContact O-N 3.28Å; T220-T222 VanDerWaalsContact O-N 3.1Å; T220-T222 WeakPolarHBondContact OG1-CB 3.33Å; T220-T222 VanDerWaalsContact OG1-CG2 3.3Å; T220-T222 WeakPolarHBondContact OG1-CG2 3.36Å; T220-T222 PolarHBondContact OG1-N 2.97Å; T220-T222 PolarHBondContact OG1-OG1 3.18Å |
| 221 | G | 97.3 | Very high | 97.9 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | | | trans | 66.5 | 1.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S217 Q223 | S217-G221 VanDerWaalsContact O-CA 3.3Å; S217-G221 WeakPolarHBondContact O-CA 3.33Å; S217-G221 PolarHBondContact O-N 3.27Å; G221-Q223 PolarHBondContact O-NE2 3.37Å |
| 222 | T | 98.2 | Very high | 97.7 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | | | trans | -67.7 | 151 | -175.5 | 56 | 0 | 0 | 0 | 0 | 112.1 | S217 T220 | S217-T222 PolarHBondContact OG-O 3.18Å; T220-T222 PolarHBondContact O-N 3.28Å; T220-T222 VanDerWaalsContact O-N 3.1Å; T220-T222 WeakPolarHBondContact OG1-CB 3.33Å; T220-T222 VanDerWaalsContact OG1-CG2 3.3Å; T220-T222 WeakPolarHBondContact OG1-CG2 3.36Å; T220-T222 PolarHBondContact OG1-N 2.97Å; T220-T222 PolarHBondContact OG1-OG1 3.18Å |
| 223 | Q | 98.2 | Very high | 97.3 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | | | trans | -84.1 | 128.3 | 174.5 | -58.3 | -53.9 | -67.7 | 0 | 0 | 109.5 | G221 T240 K242 L243 | G221-Q223 PolarHBondContact O-NE2 3.37Å; Q223-T240 VanDerWaalsContact CA-OG1 3.28Å; Q223-T240 WeakPolarHBondContact CA-OG1 3.17Å; Q223-T240 WeakPolarHBondContact CB-OG1 3.35Å; Q223-T240 VanDerWaalsContact OE1-CB 3.3Å; Q223-T240 PolarHBondContact OE1-OG1 3.16Å; Q223-K242 HydrophobicContact CG-CB 4.29Å; Q223-K242 HydrophobicContact CG-CD 4.26Å; Q223-K242 HydrophobicContact CG-CG 4.49Å; Q223-L243 HydrophobicContact CB-CD1 3.85Å; Q223-L243 HydrophobicContact CB-CG 4.15Å |
| 224 | V | 98.5 | Very high | 97.2 | Very high | 21 Ų | 21 | 68.1 Ų | 68.1 | 13% | 0.127 | 39% | 0.391 | C | S | . | . | | | trans | -135 | 133.5 | -171.5 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | A213 L216 F238 A239 T240 | A213-V224 HydrophobicContact CB-CG1 4.03Å; L216-V224 HydrophobicContact CD2-CG2 4.23Å; L216-V224 HydrophobicContact CG-CG2 4.37Å; V224-F238 HydrophobicContact CB-CE1 4.08Å; V224-F238 HydrophobicContact CG1-CD1 4.22Å; V224-F238 HydrophobicContact CG1-CE1 4.03Å; V224-A239 WeakPolarHBondContact O-CA 3.4Å; V224-T240 HydrophobicContact CB-CG2 4.03Å; V224-T240 VanDerWaalsContact N-CG2 3.29Å; V224-T240 PolarHBondContact N-OG1 2.92Å; V224-T240 VanDerWaalsContact N-OG1 3.13Å; V224-T240 PolarHBondContact O-N 2.84Å |
| 225 | L | 98.1 | Very high | 97.1 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.2 | 171.3 | 175 | 63 | 0 | 0 | 0 | 108.3 | F238 A239 L243 M246 I247 | L225-F238 WeakPolarHBondContact CA-O 3.37Å; L225-A239 HydrophobicContact CD1-CB 3.71Å; L225-L243 HydrophobicContact CB-CB 4.32Å; L225-L243 HydrophobicContact CB-CD1 3.86Å; L225-M246 HydrophobicContact CD2-CB 4Å; L225-M246 HydrophobicContact CD2-CG 4.23Å; L225-I247 HydrophobicContact CD1-CG2 3.93Å |
| 226 | L | 98.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 66 Ų | 66 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.8 | 177.4 | 170.7 | 62 | 0 | 0 | 0 | 108.3 | I209 M210 A213 V228 T237 F238 | I209-L226 HydrophobicContact CD1-CD1 4.28Å; I209-L226 HydrophobicContact CG1-CD2 4.07Å; I209-L226 HydrophobicContact CG2-CD2 4.21Å; M210-L226 HydrophobicContact CE-CD2 4.01Å; M210-L226 HydrophobicContact CE-CG 3.96Å; M210-L226 HydrophobicContact CG-CD2 4.27Å; M210-L226 HydrophobicContact SD-CD2 3.59Å; M210-L226 VanDerWaalsContact SD-CD2 3.59Å; M210-L226 HydrophobicContact SD-CG 4.09Å; A213-L226 HydrophobicContact CB-CB 4.35Å; A213-L226 HydrophobicContact CB-CD2 3.74Å; L226-V228 HydrophobicContact CD1-CG2 3.96Å; L226-V228 HydrophobicContact CG-CG2 4.29Å; L226-T237 CarbonylContact O-C 3.58Å; L226-T237 VanDerWaalsContact O-CA 3.32Å; L226-T237 WeakPolarHBondContact O-CA 3.32Å; L226-F238 HydrophobicContact CB-CB 4.4Å; L226-F238 PolarHBondContact N-O 2.96Å; L226-F238 PolarHBondContact O-N 3.41Å |
| 227 | L | 98.2 | Very high | 97 | Very high | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.1 | 176.5 | -173.9 | 151.8 | 0 | 0 | 0 | 108.8 | V235 T237 I256 | L227-V235 HydrophobicContact CD1-CG1 3.91Å; L227-V235 HydrophobicContact CD2-CG1 3.79Å; L227-V235 HydrophobicContact CG-CG1 3.62Å; L227-T237 HydrophobicContact CB-CG2 4.43Å; L227-T237 HydrophobicContact CD1-CG2 4.14Å; L227-T237 HydrophobicContact CG-CG2 4.09Å; L227-I256 HydrophobicContact CD1-CD1 3.75Å; L227-I256 HydrophobicContact CD1-CG1 4.03Å; L227-I256 HydrophobicContact CD1-CG2 3.93Å |
| 228 | V | 98.2 | Very high | 97 | Very high | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 101.9 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | F202 K206 M210 L226 Y236 | F202-V228 HydrophobicContact CE2-CG1 3.62Å; F202-V228 HydrophobicContact CZ-CG1 3.87Å; K206-V228 HydrophobicContact CG-CG1 4.47Å; M210-V228 HydrophobicContact CE-CB 4.24Å; M210-V228 HydrophobicContact CE-CG2 3.89Å; L226-V228 HydrophobicContact CD1-CG2 3.96Å; L226-V228 HydrophobicContact CG-CG2 4.29Å; V228-Y236 PolarHBondContact N-O 3.2Å; V228-Y236 PolarHBondContact O-N 3.24Å |
| 229 | A | 97.1 | Very high | 97 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 34% | 0.339 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 151 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F202 L260 | F202-A229 WeakPolarHBondContact CE2-O 3.24Å; A229-L260 HydrophobicContact CB-CD2 3.92Å |
| 230 | S | 95.9 | Very high | 97 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | | | trans | -109.8 | 160.9 | 172.1 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | T232 G233 H234 | S230-T232 PolarHBondContact O-N 3.25Å; S230-G233 PolarHBondContact O-N 3.16Å; S230-H234 PolarHBondContact N-O 2.87Å; S230-H234 WeakPolarHBondContact OG-CB 3.08Å; S230-H234 PolarHBondContact OG-N 2.81Å; S230-H234 VanDerWaalsContact OG-N 3.15Å; S230-H234 PolarHBondContact OG-O 2.97Å |
| 231 | E | 93.3 | Very high | 96.9 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 45% | 0.453 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.8 | 173.3 | -51.7 | -175.7 | 147.1 | 0 | 0 | 113.7 | R198 Y199 | R198-E231 WeakPolarHBondContact CD-OE1 3.38Å; R198-E231 IonicContact CZ-OE1 2.7Å; R198-E231 IonicContact NE-OE1 2.64Å; R198-E231 IonicContact NH1-OE1 3.4Å; R198-E231 PolarHBondContact NH1-OE1 3.45Å; R198-E231 IonicContact NH1-OE2 2.63Å; R198-E231 PolarHBondContact NH1-OE2 3.07Å; Y199-E231 HydrophobicContact CE1-CB 4.28Å; Y199-E231 WeakPolarHBondContact CE1-OE2 3.28Å |
| 232 | T | 93.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 68 Ų | 68 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 2.3 | 176 | -42.1 | 0 | 0 | 0 | 0 | 111.8 | S230 H234 | S230-T232 PolarHBondContact O-N 3.25Å; T232-H234 VanDerWaalsContact C-N 3.26Å; T232-H234 PolarHBondContact O-N 3.34Å |
| 233 | G | 91.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 67.5 Ų | 67.5 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 81.4 | -11.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S230 V235 | S230-G233 PolarHBondContact O-N 3.16Å; G233-V235 PolarHBondContact O-N 2.98Å |
| 234 | H | 94.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 67.3 Ų | 67.3 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | | | trans | -64 | 126.3 | 173.2 | -57.1 | -59.4 | 0 | 0 | 0 | 110.6 | S230 T232 Y236 | S230-H234 PolarHBondContact N-O 2.87Å; S230-H234 WeakPolarHBondContact OG-CB 3.08Å; S230-H234 PolarHBondContact OG-N 2.81Å; S230-H234 VanDerWaalsContact OG-N 3.15Å; S230-H234 PolarHBondContact OG-O 2.97Å; T232-H234 VanDerWaalsContact C-N 3.26Å; T232-H234 PolarHBondContact O-N 3.34Å; H234-Y236 HydrophobicContact CB-CE2 4.09Å |
| 235 | V | 96.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 30% | 0.297 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124.1 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 109 | L227 G233 T237 L260 | L227-V235 HydrophobicContact CD1-CG1 3.91Å; L227-V235 HydrophobicContact CD2-CG1 3.79Å; L227-V235 HydrophobicContact CG-CG1 3.62Å; G233-V235 PolarHBondContact O-N 2.98Å; V235-T237 HydrophobicContact CG1-CG2 4.11Å; V235-L260 HydrophobicContact CG2-CD1 3.58Å |
| 236 | Y | 97.9 | Very high | 96.7 | Very high | 83 Ų | 83 | 70.7 Ų | 70.7 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.8 | 175 | -56.3 | -86.7 | 0 | 0 | 0 | 109.5 | F202 K206 M210 V228 H234 | F202-Y236 HydrophobicContact CE1-CE2 4.02Å; F202-Y236 HydrophobicContact CZ-CD2 4.27Å; F202-Y236 HydrophobicContact CZ-CE2 4.13Å; K206-Y236 HydrophobicContact CD-CD1 4.13Å; K206-Y236 HydrophobicContact CD-CD2 3.39Å; K206-Y236 HydrophobicContact CD-CE1 4.44Å; K206-Y236 HydrophobicContact CD-CE2 3.74Å; K206-Y236 HydrophobicContact CD-CG 3.59Å; M210-Y236 WeakPolarHBondContact CE-O 3.5Å; V228-Y236 PolarHBondContact N-O 3.2Å; V228-Y236 PolarHBondContact O-N 3.24Å; H234-Y236 HydrophobicContact CB-CE2 4.09Å |
| 237 | T | 97.9 | Very high | 96.6 | Very high | 49 Ų | 49 | 70.4 Ų | 70.4 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.9 | -174.3 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | L226 L227 V235 I247 | L226-T237 CarbonylContact O-C 3.58Å; L226-T237 VanDerWaalsContact O-CA 3.32Å; L226-T237 WeakPolarHBondContact O-CA 3.32Å; L227-T237 HydrophobicContact CB-CG2 4.43Å; L227-T237 HydrophobicContact CD1-CG2 4.14Å; L227-T237 HydrophobicContact CG-CG2 4.09Å; V235-T237 HydrophobicContact CG1-CG2 4.11Å; T237-I247 HydrophobicContact CG2-CB 4.43Å; T237-I247 HydrophobicContact CG2-CD1 4.23Å; T237-I247 HydrophobicContact CG2-CG2 3.94Å; T237-I247 WeakPolarHBondContact OG1-CD1 3.5Å |
| 238 | F | 98.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 70.5 Ų | 70.5 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.6 | 159.8 | 168.8 | -96.9 | 0 | 0 | 0 | 107.4 | M210 A213 Y214 V224 L225 L226 T240 | M210-F238 HydrophobicContact SD-CB 3.61Å; A213-F238 HydrophobicContact CB-CD1 3.55Å; A213-F238 HydrophobicContact CB-CE1 3.88Å; A213-F238 HydrophobicContact CB-CG 4.33Å; A213-F238 WeakPolarHBondContact O-CE1 3.38Å; Y214-F238 HydrophobicContact CD2-CE2 4.07Å; Y214-F238 HydrophobicContact CD2-CZ 4.46Å; V224-F238 HydrophobicContact CB-CE1 4.08Å; V224-F238 HydrophobicContact CG1-CD1 4.22Å; V224-F238 HydrophobicContact CG1-CE1 4.03Å; L225-F238 WeakPolarHBondContact CA-O 3.37Å; L226-F238 HydrophobicContact CB-CB 4.4Å; L226-F238 PolarHBondContact N-O 2.96Å; L226-F238 PolarHBondContact O-N 3.41Å; F238-T240 HydrophobicContact CE1-CG2 4.35Å; F238-T240 HydrophobicContact CZ-CG2 4.4Å |
| 239 | A | 98 | Very high | 96.5 | Very high | 20 Ų | 20 | 71.3 Ų | 71.3 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 133.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V224 L225 I247 | V224-A239 WeakPolarHBondContact O-CA 3.4Å; L225-A239 HydrophobicContact CD1-CB 3.71Å; A239-I247 HydrophobicContact CB-CD1 3.62Å; A239-I247 HydrophobicContact CB-CG1 4.09Å |
| 240 | T | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 75.7 Ų | 75.7 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | | | trans | -73.8 | 160.7 | 174.3 | 60 | 0 | 0 | 0 | 0 | 111.5 | S217 Q223 V224 F238 K242 L243 Q244 | S217-T240 WeakPolarHBondContact OG-CG2 3.32Å; Q223-T240 VanDerWaalsContact CA-OG1 3.28Å; Q223-T240 WeakPolarHBondContact CA-OG1 3.17Å; Q223-T240 WeakPolarHBondContact CB-OG1 3.35Å; Q223-T240 VanDerWaalsContact OE1-CB 3.3Å; Q223-T240 PolarHBondContact OE1-OG1 3.16Å; V224-T240 HydrophobicContact CB-CG2 4.03Å; V224-T240 VanDerWaalsContact N-CG2 3.29Å; V224-T240 PolarHBondContact N-OG1 2.92Å; V224-T240 VanDerWaalsContact N-OG1 3.13Å; V224-T240 PolarHBondContact O-N 2.84Å; F238-T240 HydrophobicContact CE1-CG2 4.35Å; F238-T240 HydrophobicContact CZ-CG2 4.4Å; T240-K242 VanDerWaalsContact C-N 3.25Å; T240-K242 PolarHBondContact O-N 3.08Å; T240-L243 CarbonylContact O-C 3.5Å; T240-L243 WeakPolarHBondContact O-CA 3.33Å; T240-L243 PolarHBondContact O-N 3.42Å; T240-Q244 PolarHBondContact O-N 3.41Å |
| 241 | R | 97.1 | Very high | 96.6 | Very high | 225 Ų | 225 | 80.4 Ų | 80.4 | 85% | 0.849 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -34.2 | -170.9 | -169 | 175.4 | 179.7 | -179.4 | 0.7 | 115.3 | | |
| 242 | K | 96.9 | Very high | 96.8 | Very high | 170 Ų | 170 | 76.2 Ų | 76.2 | 74% | 0.739 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -23.6 | 175.9 | -60.8 | -168.8 | 178.1 | -175.3 | 0 | 114 | Q223 T240 | Q223-K242 HydrophobicContact CG-CB 4.29Å; Q223-K242 HydrophobicContact CG-CD 4.26Å; Q223-K242 HydrophobicContact CG-CG 4.49Å; T240-K242 VanDerWaalsContact C-N 3.25Å; T240-K242 PolarHBondContact O-N 3.08Å |
| 243 | L | 97.5 | Very high | 96.9 | Very high | 53 Ų | 53 | 75 Ų | 75 | 28% | 0.277 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11.8 | -178.5 | -60.3 | 179.3 | 0 | 0 | 0 | 113 | Q223 L225 T240 P245 M246 | Q223-L243 HydrophobicContact CB-CD1 3.85Å; Q223-L243 HydrophobicContact CB-CG 4.15Å; L225-L243 HydrophobicContact CB-CB 4.32Å; L225-L243 HydrophobicContact CB-CD1 3.86Å; T240-L243 CarbonylContact O-C 3.5Å; T240-L243 WeakPolarHBondContact O-CA 3.33Å; T240-L243 PolarHBondContact O-N 3.42Å; L243-P245 VanDerWaalsContact C-N 3.28Å; L243-M246 WeakPolarHBondContact O-CB 3.34Å; L243-M246 WeakPolarHBondContact O-CG 3.19Å; L243-M246 PolarHBondContact O-N 3.44Å |
| 244 | Q | 96.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 74.4 Ų | 74.4 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -37.7 | 174.5 | -163.4 | 172.2 | 17.1 | 0 | 0 | 113.8 | T240 M246 I247 T248 | T240-Q244 PolarHBondContact O-N 3.41Å; Q244-M246 PolarHBondContact O-N 2.75Å; Q244-M246 VanDerWaalsContact O-N 3.16Å; Q244-I247 WeakPolarHBondContact O-CG1 3.38Å; Q244-I247 PolarHBondContact O-N 2.84Å; Q244-T248 HydrophobicContact CG-CG2 3.9Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 PolarHBondContact O-OG1 2.67Å; Q244-T248 VanDerWaalsContact O-OG1 3.08Å |
| 245 | P | 97.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.4 | -27.3 | 172.3 | -27.8 | 37.4 | 0 | 0 | 0 | 115.1 | L243 I247 S249 | L243-P245 VanDerWaalsContact C-N 3.28Å; P245-I247 PolarHBondContact O-N 3.15Å; P245-S249 WeakPolarHBondContact O-CB 3.27Å; P245-S249 PolarHBondContact O-N 3.03Å; P245-S249 PolarHBondContact O-OG 3.32Å |
| 246 | M | 97 | Very high | 97.2 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 48% | 0.478 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -22.5 | 176.8 | -62.8 | -67.9 | -68.6 | 0 | 0 | 113 | L225 L243 Q244 G252 I256 | L225-M246 HydrophobicContact CD2-CB 4Å; L225-M246 HydrophobicContact CD2-CG 4.23Å; L243-M246 WeakPolarHBondContact O-CB 3.34Å; L243-M246 WeakPolarHBondContact O-CG 3.19Å; L243-M246 PolarHBondContact O-N 3.44Å; Q244-M246 PolarHBondContact O-N 2.75Å; Q244-M246 VanDerWaalsContact O-N 3.16Å; M246-G252 CarbonylContact O-C 3.55Å; M246-G252 WeakPolarHBondContact O-CA 3.28Å; M246-I256 WeakPolarHBondContact O-CD1 3.25Å |
| 247 | I | 96.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -117.3 | -18.4 | -178.5 | 61.3 | 166.1 | 0 | 0 | 0 | 113.4 | L225 T237 A239 Q244 P245 I256 | L225-I247 HydrophobicContact CD1-CG2 3.93Å; T237-I247 HydrophobicContact CG2-CB 4.43Å; T237-I247 HydrophobicContact CG2-CD1 4.23Å; T237-I247 HydrophobicContact CG2-CG2 3.94Å; T237-I247 WeakPolarHBondContact OG1-CD1 3.5Å; A239-I247 HydrophobicContact CB-CD1 3.62Å; A239-I247 HydrophobicContact CB-CG1 4.09Å; Q244-I247 WeakPolarHBondContact O-CG1 3.38Å; Q244-I247 PolarHBondContact O-N 2.84Å; P245-I247 PolarHBondContact O-N 3.15Å; I247-I256 HydrophobicContact CG2-CD1 4.03Å |
| 248 | T | 97.1 | Very high | 97 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -99 | -31.8 | 178.6 | 59.8 | 0 | 0 | 0 | 0 | 114 | Q244 K253 | Q244-T248 HydrophobicContact CG-CG2 3.9Å; Q244-T248 PolarHBondContact O-N 3.16Å; Q244-T248 PolarHBondContact O-OG1 2.67Å; Q244-T248 VanDerWaalsContact O-OG1 3.08Å; T248-K253 VanDerWaalsContact O-CE 3.24Å; T248-K253 WeakPolarHBondContact O-CE 3.48Å; T248-K253 PolarHBondContact O-NZ 3.28Å |
| 249 | S | 97.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 78.5 Ų | 78.5 | 33% | 0.329 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -70 | 152.5 | 178.5 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | P245 G252 K253 | P245-S249 WeakPolarHBondContact O-CB 3.27Å; P245-S249 PolarHBondContact O-N 3.03Å; P245-S249 PolarHBondContact O-OG 3.32Å; S249-G252 PolarHBondContact O-N 3.2Å; S249-G252 PolarHBondContact OG-N 2.93Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact O-N 3.27Å |
| 250 | E | 97.7 | Very high | 96.6 | Very high | 132 Ų | 132 | 81.6 Ų | 81.6 | 62% | 0.617 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | -179.5 | -161.3 | 54.5 | -147.4 | 0 | 0 | 111.9 | G252 K253 A254 | E250-G252 VanDerWaalsContact C-N 3.3Å; E250-G252 PolarHBondContact O-N 2.88Å; E250-K253 PolarHBondContact O-N 2.86Å; E250-A254 VanDerWaalsContact O-CB 3.28Å; E250-A254 WeakPolarHBondContact O-CB 3.48Å; E250-A254 PolarHBondContact O-N 3.41Å |
| 251 | T | 97.8 | Very high | 96.4 | Very high | 118 Ų | 118 | 86.6 Ų | 86.6 | 72% | 0.724 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.8 | -41.7 | 174.1 | -41.9 | 0 | 0 | 0 | 0 | 112.2 | L255 | T251-L255 WeakPolarHBondContact O-CB 3.31Å; T251-L255 PolarHBondContact O-N 2.76Å; T251-L255 VanDerWaalsContact O-N 3.08Å |
| 252 | G | 96.9 | Very high | 96 | Very high | 8 Ų | 8 | 79.3 Ų | 79.3 | 8% | 0.082 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -67 | -46.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M246 S249 E250 L255 I256 | M246-G252 CarbonylContact O-C 3.55Å; M246-G252 WeakPolarHBondContact O-CA 3.28Å; S249-G252 PolarHBondContact O-N 3.2Å; S249-G252 PolarHBondContact OG-N 2.93Å; E250-G252 VanDerWaalsContact C-N 3.3Å; E250-G252 PolarHBondContact O-N 2.88Å; G252-L255 PolarHBondContact O-N 3.28Å; G252-I256 WeakPolarHBondContact O-CD1 3.3Å; G252-I256 VanDerWaalsContact O-CG1 3.27Å; G252-I256 WeakPolarHBondContact O-CG1 2.91Å; G252-I256 PolarHBondContact O-N 2.88Å |
| 253 | K | 95.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 76.9 Ų | 76.9 | 27% | 0.274 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 175.4 | -72.4 | 164.5 | 175.2 | 158.3 | 0 | 112.2 | T248 S249 E250 L255 I256 Q257 | T248-K253 VanDerWaalsContact O-CE 3.24Å; T248-K253 WeakPolarHBondContact O-CE 3.48Å; T248-K253 PolarHBondContact O-NZ 3.28Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact O-N 3.27Å; E250-K253 PolarHBondContact O-N 2.86Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 PolarHBondContact O-N 3.08Å; K253-I256 PolarHBondContact O-N 3.02Å; K253-Q257 VanDerWaalsContact O-CB 3.3Å; K253-Q257 WeakPolarHBondContact O-CB 3.41Å; K253-Q257 PolarHBondContact O-N 2.85Å |
| 254 | A | 96.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 82 Ų | 82 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E250 T258 | E250-A254 VanDerWaalsContact O-CB 3.28Å; E250-A254 WeakPolarHBondContact O-CB 3.48Å; E250-A254 PolarHBondContact O-N 3.41Å; A254-T258 WeakPolarHBondContact O-CB 3.44Å; A254-T258 PolarHBondContact O-N 3.09Å; A254-T258 PolarHBondContact O-OG1 2.96Å |
| 255 | L | 96.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 82.5 Ų | 82.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 173.7 | 179 | 61.1 | 0 | 0 | 0 | 111.6 | T251 G252 K253 Q257 T258 C259 | T251-L255 WeakPolarHBondContact O-CB 3.31Å; T251-L255 PolarHBondContact O-N 2.76Å; T251-L255 VanDerWaalsContact O-N 3.08Å; G252-L255 PolarHBondContact O-N 3.28Å; K253-L255 VanDerWaalsContact C-N 3.31Å; K253-L255 PolarHBondContact O-N 3.08Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.29Å; L255-T258 PolarHBondContact O-N 2.93Å; L255-C259 PolarHBondContact O-N 3.32Å; L255-C259 PolarHBondContact O-SG 3.39Å; L255-C259 VanDerWaalsContact O-SG 3.34Å |
| 256 | I | 96.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 84.7 Ų | 84.7 | 22% | 0.215 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 177.3 | -70.3 | 162.8 | 0 | 0 | 0 | 110.9 | L227 M246 I247 G252 K253 C259 L260 | L227-I256 HydrophobicContact CD1-CD1 3.75Å; L227-I256 HydrophobicContact CD1-CG1 4.03Å; L227-I256 HydrophobicContact CD1-CG2 3.93Å; M246-I256 WeakPolarHBondContact O-CD1 3.25Å; I247-I256 HydrophobicContact CG2-CD1 4.03Å; G252-I256 WeakPolarHBondContact O-CD1 3.3Å; G252-I256 VanDerWaalsContact O-CG1 3.27Å; G252-I256 WeakPolarHBondContact O-CG1 2.91Å; G252-I256 PolarHBondContact O-N 2.88Å; K253-I256 PolarHBondContact O-N 3.02Å; I256-C259 PolarHBondContact O-N 3.13Å; I256-L260 HydrophobicContact CG2-CD1 3.85Å; I256-L260 HydrophobicContact CG2-CG 4.49Å; I256-L260 WeakPolarHBondContact O-CG 3.35Å; I256-L260 PolarHBondContact O-N 3.15Å |
| 257 | Q | 94.8 | Very high | 90.1 | Very high | 95 Ų | 95 | 85.6 Ų | 85.6 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.9 | -178.3 | 173.1 | -7.7 | 0 | 0 | 111.8 | K253 L255 L260 N261 | K253-Q257 VanDerWaalsContact O-CB 3.3Å; K253-Q257 WeakPolarHBondContact O-CB 3.41Å; K253-Q257 PolarHBondContact O-N 2.85Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.29Å; Q257-L260 PolarHBondContact O-N 3.46Å; Q257-N261 WeakPolarHBondContact CG-ND2 3.38Å; Q257-N261 VanDerWaalsContact O-CB 3.25Å; Q257-N261 WeakPolarHBondContact O-CB 3.44Å; Q257-N261 PolarHBondContact O-N 2.76Å; Q257-N261 PolarHBondContact O-ND2 3.16Å |
| 258 | T | 96.3 | Very high | 88.1 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 60% | 0.595 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | A254 L255 L260 N261 S262 | A254-T258 WeakPolarHBondContact O-CB 3.44Å; A254-T258 PolarHBondContact O-N 3.09Å; A254-T258 PolarHBondContact O-OG1 2.96Å; L255-T258 PolarHBondContact O-N 2.93Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.63Å; T258-N261 PolarHBondContact O-N 3.44Å; T258-S262 PolarHBondContact O-N 3.14Å; T258-S262 VanDerWaalsContact O-N 3.13Å |
| 259 | C | 95 | Very high | 85.7 | Confident | 83 Ų | 83 | 97.8 Ų | 97.8 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.5 | -29.8 | 177.2 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | L255 I256 S262 | L255-C259 PolarHBondContact O-N 3.32Å; L255-C259 PolarHBondContact O-SG 3.39Å; L255-C259 VanDerWaalsContact O-SG 3.34Å; I256-C259 PolarHBondContact O-N 3.13Å; C259-S262 PolarHBondContact O-OG 2.98Å |
| 260 | L | 93.6 | Very high | 83.2 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 45% | 0.445 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -84.4 | -20.6 | 177.6 | -68.7 | 174.3 | 0 | 0 | 0 | 113.3 | A229 V235 I256 Q257 T258 | A229-L260 HydrophobicContact CB-CD2 3.92Å; V235-L260 HydrophobicContact CG2-CD1 3.58Å; I256-L260 HydrophobicContact CG2-CD1 3.85Å; I256-L260 HydrophobicContact CG2-CG 4.49Å; I256-L260 WeakPolarHBondContact O-CG 3.35Å; I256-L260 PolarHBondContact O-N 3.15Å; Q257-L260 PolarHBondContact O-N 3.46Å; T258-L260 VanDerWaalsContact C-N 3.35Å; T258-L260 PolarHBondContact O-N 2.63Å |
| 261 | N | 92.7 | Very high | 80.9 | Confident | 116 Ų | 116 | 99.7 Ų | 99.7 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -99.1 | -4 | 179.2 | -68.5 | -15.8 | 0 | 0 | 0 | 113.8 | Q257 T258 | Q257-N261 WeakPolarHBondContact CG-ND2 3.38Å; Q257-N261 VanDerWaalsContact O-CB 3.25Å; Q257-N261 WeakPolarHBondContact O-CB 3.44Å; Q257-N261 PolarHBondContact O-N 2.76Å; Q257-N261 PolarHBondContact O-ND2 3.16Å; T258-N261 PolarHBondContact O-N 3.44Å |
| 262 | S | 90.1 | Very high | 78.5 | Confident | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -61.6 | 134.9 | 173.2 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | T258 C259 D264 | T258-S262 PolarHBondContact O-N 3.14Å; T258-S262 VanDerWaalsContact O-N 3.13Å; C259-S262 PolarHBondContact O-OG 2.98Å; S262-D264 PolarHBondContact O-N 3.23Å |
| 263 | P | 83.9 | Confident | 76.5 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 127.5 | -177.8 | 25.4 | -34 | 0 | 0 | 0 | 110.4 | S265 | P263-S265 PolarHBondContact O-N 2.7Å; P263-S265 VanDerWaalsContact O-N 3.15Å |
| 264 | D | 78.4 | Confident | 74.2 | Confident | 159 Ų | 159 | 109.8 Ų | 109.8 | 85% | 0.85 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 119.8 | 176 | -170 | 27.2 | 0 | 0 | 0 | 109 | S262 | S262-D264 PolarHBondContact O-N 3.23Š|
| 265 | S | 69.6 | Low | 72.1 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.2 | -175.5 | -68.5 | 0 | 0 | 0 | 0 | 108.8 | P263 | P263-S265 PolarHBondContact O-N 2.7Å; P263-S265 VanDerWaalsContact O-N 3.15Å |
| 266 | P | 66.6 | Low | 69.7 | Low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 137.1 | -177.1 | 23 | -33.6 | 0 | 0 | 0 | 109.8 | R268 | P266-R268 PolarHBondContact O-N 2.98Š|
| 267 | P | 62.3 | Low | 67.4 | Low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | | | trans | -55.8 | 115.2 | -167.9 | 20.3 | -32.9 | 0 | 0 | 0 | 110.2 | S269 | P267-S269 PolarHBondContact O-N 3.36Å; P267-S269 PolarHBondContact O-OG 2.71Å |
| 268 | R | 53.1 | Low | 65.1 | Low | 224 Ų | 224 | 127.7 Ų | 127.7 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | trans | -74.2 | 89.5 | -171.7 | -164.8 | 176.4 | -175.2 | -179.9 | 1.2 | 109.5 | P266 D270 | P266-R268 PolarHBondContact O-N 2.98Å; R268-D270 HydrophobicContact CG-CB 4.4Å; R268-D270 PolarHBondContact O-N 2.89Å |
| 269 | S | 47.7 | Very low | 62.8 | Low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | | | trans | -69.8 | 63.6 | 178.6 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | P267 | P267-S269 PolarHBondContact O-N 3.36Å; P267-S269 PolarHBondContact O-OG 2.71Å |
| 270 | D | 45.5 | Very low | 60.6 | Low | 99 Ų | 99 | 129 Ų | 129 | 53% | 0.529 | 73% | 0.725 | S | S | . | * | | | trans | -126.4 | 104.6 | 177.9 | -171.1 | -16.9 | 0 | 0 | 0 | 109.5 | R268 S272 | R268-D270 HydrophobicContact CG-CB 4.4Å; R268-D270 PolarHBondContact O-N 2.89Å; D270-S272 PolarHBondContact O-N 3.35Å; D270-S272 VanDerWaalsContact O-N 3.16Å; D270-S272 VanDerWaalsContact OD1-CB 3.31Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 VanDerWaalsContact OD1-N 3.09Å |
| 271 | P | 49.3 | Very low | 58.5 | Low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | -83.3 | 36.4 | 178.3 | 36.2 | -35.6 | 0 | 0 | 0 | 112.9 | M273 | P271-M273 VanDerWaalsContact C-N 3.26Å; P271-M273 PolarHBondContact O-N 2.94Å |
| 272 | S | 46.9 | Very low | 55.9 | Low | 81 Ų | 81 | 132.2 Ų | 132.2 | 57% | 0.566 | 75% | 0.754 | S | S | * | * | | | trans | -67.7 | 81.2 | 170.3 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | D270 D274 | D270-S272 PolarHBondContact O-N 3.35Å; D270-S272 VanDerWaalsContact O-N 3.16Å; D270-S272 VanDerWaalsContact OD1-CB 3.31Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 2.82Å; D270-S272 VanDerWaalsContact OD1-N 3.09Å; S272-D274 VanDerWaalsContact C-N 3.33Å; S272-D274 PolarHBondContact O-N 3.03Å |
| 273 | M | 54.3 | Low | 53.9 | Low | 169 Ų | 169 | 137.1 Ų | 137.1 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 8.1 | -171.5 | -108.8 | -74.1 | 132.7 | 0 | 0 | 114.8 | P271 | P271-M273 VanDerWaalsContact C-N 3.26Å; P271-M273 PolarHBondContact O-N 2.94Å |
| 274 | D | 48.7 | Very low | 51.9 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 5.6 | -170.2 | -82.1 | -67.7 | 0 | 0 | 0 | 115.7 | S272 R276 | S272-D274 VanDerWaalsContact C-N 3.33Å; S272-D274 PolarHBondContact O-N 3.03Å; D274-R276 PolarHBondContact O-N 2.93Å |
| 275 | Q | 53.5 | Low | 50.3 | Low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -76.1 | 54.8 | 169.1 | -159.5 | 92.3 | 76.1 | 0 | 0 | 111.7 | M277 | Q275-M277 PolarHBondContact O-N 3.29Š|
| 276 | R | 44.3 | Very low | 48.8 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | trans | -60.1 | 115.7 | 171.8 | 175.5 | 178.5 | 177 | -91.2 | 2.8 | 108.8 | D274 S278 | D274-R276 PolarHBondContact O-N 2.93Å; R276-S278 PolarHBondContact O-N 2.83Å; R276-S278 VanDerWaalsContact O-N 3.1Å |
| 277 | M | 47.6 | Very low | 47.5 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -53 | 117.7 | 176.7 | -67.8 | 175 | 175.3 | 0 | 0 | 110.8 | Q275 A279 | Q275-M277 PolarHBondContact O-N 3.29Å; M277-A279 PolarHBondContact O-N 3.2Å |
| 278 | S | 47.6 | Very low | 46.4 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -65.9 | 103.4 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | R276 T280 | R276-S278 PolarHBondContact O-N 2.83Å; R276-S278 VanDerWaalsContact O-N 3.1Å; S278-T280 PolarHBondContact O-N 3.01Å |
| 279 | A | 47.3 | Very low | 45.5 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | -75.8 | 39.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | M277 | M277-A279 PolarHBondContact O-N 3.2Š|
| 280 | T | 50.3 | Low | 44.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | | | trans | -142.5 | 96.9 | -177.6 | 48.2 | 0 | 0 | 0 | 0 | 108.2 | S278 F282 | S278-T280 PolarHBondContact O-N 3.01Å; T280-F282 PolarHBondContact O-N 3.15Å; T280-F282 VanDerWaalsContact O-N 3.1Å |
| 281 | G | 47.7 | Very low | 44.2 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | | | trans | -72 | 97.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 282 | F | 40 | Very low | 43.6 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | -135 | 114.5 | 155.9 | -159.9 | -94.9 | 0 | 0 | 0 | 107.4 | T280 E284 | T280-F282 PolarHBondContact O-N 3.15Å; T280-F282 VanDerWaalsContact O-N 3.1Å; F282-E284 PolarHBondContact O-N 2.92Å |
| 283 | E | 46.5 | Very low | 42.8 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -82 | 88.1 | -178 | 53.1 | -145.7 | 77.7 | 0 | 0 | 110.2 | T285 | E283-T285 PolarHBondContact O-N 2.9Š|
| 284 | E | 43.2 | Very low | 41.8 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -75.9 | 113.1 | 172.3 | -168.3 | 155.6 | -147 | 0 | 0 | 109.6 | F282 D286 | F282-E284 PolarHBondContact O-N 2.92Å; E284-D286 PolarHBondContact O-N 3.31Å |
| 285 | T | 43.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -82.7 | 92.4 | -177.8 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | E283 L287 | E283-T285 PolarHBondContact O-N 2.9Å; T285-L287 PolarHBondContact O-N 3.01Å |
| 286 | D | 38.3 | Very low | 40.1 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -65 | 80.7 | 166.5 | -92.2 | -42.9 | 0 | 0 | 0 | 110.7 | E284 T288 | E284-D286 PolarHBondContact O-N 3.31Å; D286-T288 PolarHBondContact O-N 2.74Å; D286-T288 VanDerWaalsContact O-N 3.16Å |
| 287 | L | 40.5 | Very low | 39.5 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -81.7 | 88.2 | 172.2 | -170.7 | 72.6 | 0 | 0 | 0 | 109 | T285 Y289 | T285-L287 PolarHBondContact O-N 3.01Å; L287-Y289 PolarHBondContact O-N 3.49Å |
| 288 | T | 37.9 | Very low | 38.7 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -49.6 | 99.9 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | D286 Q290 | D286-T288 PolarHBondContact O-N 2.74Å; D286-T288 VanDerWaalsContact O-N 3.16Å; T288-Q290 HydrophobicContact CG2-CG 4.44Å |
| 289 | Y | 34.4 | Very low | 37.9 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -91.1 | 102.8 | 171.2 | -144.6 | -87.3 | 0 | 0 | 0 | 109 | L287 V291 | L287-Y289 PolarHBondContact O-N 3.49Å; Y289-V291 HydrophobicContact CD1-CG2 3.92Å; Y289-V291 HydrophobicContact CE1-CG2 4.41Å; Y289-V291 PolarHBondContact O-N 2.8Å; Y289-V291 VanDerWaalsContact O-N 3.15Å |
| 290 | Q | 35.3 | Very low | 37.2 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | trans | -71.7 | 105.8 | 170 | -70.3 | -175.6 | 34.8 | 0 | 0 | 109.1 | T288 | T288-Q290 HydrophobicContact CG2-CG 4.44Š|
| 291 | V | 30.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | | | trans | -96.9 | 107.3 | 156.4 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | Y289 E293 | Y289-V291 HydrophobicContact CD1-CG2 3.92Å; Y289-V291 HydrophobicContact CE1-CG2 4.41Å; Y289-V291 PolarHBondContact O-N 2.8Å; Y289-V291 VanDerWaalsContact O-N 3.15Å; V291-E293 PolarHBondContact O-N 2.88Å |
| 292 | S | 37.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -79.7 | 112.4 | 167.2 | -60.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 293 | E | 29.6 | Very low | 35.6 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -142.6 | 137.2 | 156.9 | -118.7 | 164.5 | -171.2 | 0 | 0 | 109.2 | V291 | V291-E293 PolarHBondContact O-N 2.88Š|
| 294 | S | 32.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -114.6 | 174.9 | -165.7 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 295 | E | 34.6 | Very low | 34.6 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | 77.4 | 114 | 166.4 | -43.8 | -166.7 | 143 | 0 | 0 | 116.9 | | |
| 296 | S | 32.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | | | | 158.7 | 163.5 | 111.4 | -162.7 | 0 | 0 | 0 | 0 | 112 | | |
| 297 | M | 30.6 | Very low | 34.3 | Very low | 185 Ų | 185 | 141.7 Ų | 141.7 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | | | trans | -86 | 161.9 | -177.7 | -65 | 168.4 | 144.2 | 0 | 0 | 112.9 | | |
| 298 | G | 32.1 | Very low | 33.8 | Very low | 59 Ų | 59 | 142.5 Ų | 142.5 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | | 98.4 | 111.6 | 127.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 299 | D | 30.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | 61.5 | 139.1 | 131.3 | -64.4 | -72.7 | 0 | 0 | 0 | 123.3 | | |
| 300 | T | 33.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 63 | 98.8 | 152.3 | 50.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 301 | K | 35.6 | Very low | 33.1 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | | 54.8 | 139.7 | 105.9 | -149.7 | -156.2 | 173.6 | -132.4 | 0 | 120.7 | | |
| 302 | D | 34.6 | Very low | 33 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | | | trans | 82.3 | 107.9 | 158.8 | -67.2 | -26.5 | 0 | 0 | 0 | 120.7 | | |
| 303 | T | 33.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | | 61.2 | 111.8 | 122.8 | -43.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 304 | L | 37.1 | Very low | 33.1 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | | -169.7 | -175.7 | 111.6 | -101.7 | 176.8 | 0 | 0 | 0 | 113.9 | | |
| 305 | K | 31.4 | Very low | 32.9 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | -97.4 | 161.5 | -161.1 | -83.7 | -175.9 | 177.5 | -179.4 | 0 | 115.3 | | |
| 306 | P | 48.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | trans | -88.8 | 176.2 | -168.8 | 37.2 | -39.1 | 0 | 0 | 0 | 114.9 | | |
| 307 | T | 26.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -147.3 | 147.4 | 170.4 | -101.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 308 | F | 30.5 | Very low | 32.4 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | | | trans | -57.7 | 162.2 | -179 | 62.8 | -73.9 | 0 | 0 | 0 | 114.3 | | |
| 309 | T | 29.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | | -161.7 | 174.7 | 80.9 | -48.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 310 | V | 30.8 | Very low | 32.3 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -110.1 | 178.4 | -168.4 | -68 | 0 | 0 | 0 | 0 | 114.9 | | |
| 311 | A | 32.4 | Very low | 32 | Very low | 85 Ų | 85 | 131.8 Ų | 131.8 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | 85.9 | 148.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 312 | N | 28.6 | Very low | 31.7 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | cis | -155.1 | 166.1 | -2.3 | -139.3 | 49.5 | 0 | 0 | 0 | 113.8 | | |
| 313 | L | 29.6 | Very low | 31.4 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | -87.3 | -178 | 162 | -118.1 | 72.6 | 0 | 0 | 0 | 110.3 | | |
| 314 | P | 39.7 | Very low | 31.3 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | cis | -139.8 | 171.9 | -0.9 | 40.5 | -22.1 | 0 | 0 | 0 | 118.1 | | |
| 315 | G | 28.7 | Very low | 31.6 | Very low | 67 Ų | 67 | 127.8 Ų | 127.8 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 75.6 | 169 | 146.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 316 | T | 27.8 | Very low | 31.6 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | cis | -165.6 | 137.7 | -16.9 | 19.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 317 | T | 28.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | 63.9 | 152.6 | 149 | 58.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 318 | S | 31 | Very low | 30.9 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 93 | 92.3 | 149 | -56.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 319 | S | 29.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | | 27.5 | 124.2 | 127.3 | 60.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 320 | A | 31 | Very low | 30.9 | Very low | 110 Ų | 110 | 123 Ų | 123 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -152.3 | 171 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 321 | Q | 27.4 | Very low | 30.9 | Very low | 189 Ų | 189 | 124.2 Ų | 124.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -136.2 | 146.4 | -166.3 | -161 | -179.1 | 10.3 | 0 | 0 | 112.5 | | |
| 322 | S | 27.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | 86.3 | 163.9 | 152.1 | -144 | 0 | 0 | 0 | 0 | 122 | | |
| 323 | T | 28.3 | Very low | 30.9 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | 70.5 | 115.9 | 163 | 44.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 324 | V | 32.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | -78 | 166.3 | 152.7 | -128.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 325 | P | 43.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | | -162.6 | -179.8 | 72 | 46.3 | -24.6 | 0 | 0 | 0 | 120 | | |
| 326 | T | 30.9 | Very low | 30.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | 73 | 95.4 | 148.7 | -48.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 327 | T | 32.4 | Very low | 30.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | | | | 39.5 | 123.9 | 117 | -34.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 328 | S | 28.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | | 169.7 | 122.3 | 113.3 | -73.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 329 | T | 31.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 77% | 0.767 | 80% | 0.803 | S | S | * | * | | | trans | 29.1 | 123.4 | 133.4 | -48.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 330 | T | 28.9 | Very low | 31.7 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | | -153.4 | 167.3 | 120.2 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 331 | M | 30.2 | Very low | 32 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | | | trans | -122 | 153 | -176.3 | -56.1 | 164.7 | 64.4 | 0 | 0 | 111.3 | | |
| 332 | Q | 31.4 | Very low | 32.2 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | | -168.4 | -180 | 128.3 | -107.7 | 172 | 2.2 | 0 | 0 | 113.1 | | |
| 333 | V | 29.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | -140.1 | 144.2 | -148.4 | 168.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 334 | S | 29.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -178.5 | 137.7 | 134.8 | -80.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 335 | T | 30.3 | Very low | 32.9 | Very low | 144 Ų | 144 | 135 Ų | 135 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | 26.8 | 134.5 | 148.3 | 60 | 0 | 0 | 0 | 0 | 120.6 | | |
| 336 | G | 29.6 | Very low | 32.3 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | cis | 169.2 | 174.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 337 | A | 35.4 | Very low | 33.1 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | cis | -159.9 | -168.5 | 6.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 338 | S | 29.7 | Very low | 32.9 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 84.1 | 147.9 | -179.9 | -151.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 339 | F | 34.1 | Very low | 33 | Very low | 194 Ų | 194 | 133.9 Ų | 133.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -123.3 | 134.5 | -146.3 | -57.8 | -91.7 | 0 | 0 | 0 | 115.1 | | |
| 340 | P | 43.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -90.2 | 166.7 | 157.9 | 36.3 | -32.3 | 0 | 0 | 0 | 112.4 | | |
| 341 | I | 36.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | -91.8 | 130.1 | -177.1 | -62.6 | 164.7 | 0 | 0 | 0 | 110.9 | | |
| 342 | T | 32.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -143.6 | 149.1 | 166.1 | -37.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 343 | N | 39.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -87.3 | 134.4 | -174.3 | 170.3 | 35.7 | 0 | 0 | 0 | 114.3 | | |
| 344 | Y | 31.2 | Very low | 32.7 | Very low | 200 Ų | 200 | 131.3 Ų | 131.3 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | -158.6 | 152.7 | 163.8 | -84.5 | -91.2 | 0 | 0 | 0 | 108.6 | | |
| 345 | L | 32.9 | Very low | 32.6 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | cis | -174.4 | 146.7 | -21.9 | -172.3 | 79.6 | 0 | 0 | 0 | 108.7 | | |
| 346 | A | 29.7 | Very low | 32.8 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | -155.2 | 147.5 | 160 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 347 | P | 47.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -135.4 | -167.9 | -160.2 | 35.6 | -12.4 | 0 | 0 | 0 | 116.4 | | |
| 348 | V | 29.8 | Very low | 32.6 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | 77.4 | 112.6 | 169 | -172.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 349 | S | 30.2 | Very low | 32.8 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | | | cis | 87.5 | 111.5 | 39.8 | -56.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 350 | T | 26.7 | Very low | 32.6 | Very low | 153 Ų | 153 | 130 Ų | 130 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | trans | -169.7 | 168.4 | 141.5 | 13.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 351 | S | 31.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -120.9 | 177.5 | -162.7 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 352 | S | 29.5 | Very low | 32 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | 99 | 139.9 | 147.8 | -53.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 353 | N | 29.2 | Very low | 31.8 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -89.6 | 137.8 | 165.9 | 169.6 | 11 | 0 | 0 | 0 | 108.9 | | |
| 354 | I | 28.3 | Very low | 31.5 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -170 | 151.7 | 148.1 | -103.9 | 154 | 0 | 0 | 0 | 111.2 | | |
| 355 | S | 27 | Very low | 31.5 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -82.2 | 140.9 | 176.5 | 159.7 | 0 | 0 | 0 | 0 | 113 | | |
| 356 | A | 34.4 | Very low | 31.6 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | -153.3 | 137.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 357 | N | 30.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -79.6 | 152.2 | 160.1 | -78.2 | -75.1 | 0 | 0 | 0 | 109.5 | | |
| 358 | G | 30.4 | Very low | 31.3 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | 167.9 | 73.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 359 | T | 34.7 | Very low | 31.4 | Very low | 135 Ų | 135 | 121.5 Ų | 121.5 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | trans | 46.9 | 140 | 132.1 | 45.4 | 0 | 0 | 0 | 0 | 124.1 | | |
| 360 | V | 30.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 80.3 | 134.9 | 140 | 159.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 361 | L | 33.5 | Very low | 31.8 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | cis | -172.5 | 169.2 | -24.4 | -148.2 | 114.5 | 0 | 0 | 0 | 110.8 | | |
| 362 | K | 32.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 72.7 | 143.1 | 157.6 | -109.8 | 156.6 | 174.2 | -178.4 | 0 | 118.2 | | |
| 363 | T | 29.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | cis | -171.5 | 164.3 | -17.2 | -104.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 364 | A | 32.5 | Very low | 32.7 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | 79.7 | 138 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 365 | G | 31.3 | Very low | 33.4 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | cis | 117.8 | 134.2 | 5.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 366 | T | 33.6 | Very low | 33.8 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | cis | -167.2 | 160.8 | 8.3 | 23.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 367 | S | 37.2 | Very low | 33.5 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | cis | -173 | 170.2 | -2.8 | 44.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 368 | T | 34.5 | Very low | 33.7 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | | | trans | 67 | 140.7 | 175.3 | 67.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 369 | G | 31.9 | Very low | 33.9 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | cis | 166.1 | 150.6 | -3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 370 | V | 33.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | cis | -159.4 | 175.2 | 23.4 | -71.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 371 | M | 33 | Very low | 33.7 | Very low | 181 Ų | 181 | 135 Ų | 135 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | | | trans | 77.1 | 150.9 | 165.7 | -65 | -174.8 | 174.3 | 0 | 0 | 120.6 | | |
| 372 | Q | 30.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | | | | -171.9 | 124.5 | -56.7 | 179.9 | 72.6 | 6.1 | 0 | 0 | 110.5 | | |
| 373 | L | 36.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | 69.4 | 159.5 | 162.4 | -70.6 | 168.8 | 0 | 0 | 0 | 120.3 | | |
| 374 | P | 40.3 | Very low | 34 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | trans | -137.6 | -167 | -146 | 45.5 | -26.9 | 0 | 0 | 0 | 116 | | |
| 375 | S | 43 | Very low | 34.5 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -94.1 | 153.4 | 172.4 | -45.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 376 | G | 35.6 | Very low | 34.6 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | | | trans | 154.3 | 153.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 377 | F | 29 | Very low | 35.1 | Very low | 211 Ų | 211 | 132.8 Ų | 132.8 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | cis | -144.4 | -179.1 | 17.9 | -83.2 | -91.4 | 0 | 0 | 0 | 112.6 | | |
| 378 | T | 34.8 | Very low | 35.3 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -130.4 | 157.6 | 169.1 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 379 | F | 33 | Very low | 35.2 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | | | trans | -60.7 | 155.6 | -172.3 | -69.6 | -98.1 | 0 | 0 | 0 | 116.4 | | |
| 380 | M | 31.2 | Very low | 35.1 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | | | trans | -154.8 | 177.6 | 149.8 | -89.6 | -114.4 | 82.1 | 0 | 0 | 110.6 | | |
| 381 | S | 29.8 | Very low | 35.4 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -99.1 | -176.5 | -162.4 | -160.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 382 | A | 34.6 | Very low | 35.3 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -101.8 | 157.2 | -157.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 383 | G | 33.4 | Very low | 35.6 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | -170.6 | 139.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 384 | T | 34.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -94 | 170.6 | -173.5 | 41.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 385 | P | 43.5 | Very low | 35.4 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | | | cis | -148.7 | 152.8 | 26.1 | 41.5 | -20.4 | 0 | 0 | 0 | 121.4 | | |
| 386 | L | 32.7 | Very low | 35 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | 50 | 162.6 | 134.9 | -66.1 | 172.1 | 0 | 0 | 0 | 123 | | |
| 387 | P | 44.2 | Very low | 34.8 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | | | cis | -131.1 | -154.6 | -24.9 | 40.3 | -21.5 | 0 | 0 | 0 | 111.4 | | |
| 388 | P | 41.3 | Very low | 35 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | cis | -125.2 | 141.7 | -39.9 | 27 | -8.2 | 0 | 0 | 0 | 114.5 | | |
| 389 | S | 31.9 | Very low | 35 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -163.5 | 138.5 | 134.9 | -3.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 390 | T | 30.8 | Very low | 35.2 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -92.2 | 169.6 | -174.3 | 38.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 391 | P | 39.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | cis | -122.4 | -172.3 | -0.1 | 38.3 | -21.5 | 0 | 0 | 0 | 114.5 | | |
| 392 | T | 30 | Very low | 35.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -151.6 | 168.7 | -161.3 | -33.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 393 | I | 36.2 | Very low | 34.8 | Very low | 152 Ų | 152 | 137 Ų | 137 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | 80.1 | 144.1 | 161.2 | -54.3 | 167 | 0 | 0 | 0 | 115.9 | | |
| 394 | P | 37.8 | Very low | 34.6 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | cis | -122 | 171.3 | -23 | 34.9 | -19.8 | 0 | 0 | 0 | 113.9 | | |
| 395 | L | 36.7 | Very low | 34.5 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | | | trans | -99.6 | 107.6 | 158.9 | -176.9 | 71.3 | 0 | 0 | 0 | 110.3 | | |
| 396 | S | 33.7 | Very low | 33.9 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | trans | -158.1 | 141.4 | 169.2 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 397 | Q | 30.8 | Very low | 33.7 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | 74.4 | 86.8 | 176.5 | -166.5 | -173.8 | -7.6 | 0 | 0 | 117.7 | | |
| 398 | L | 34.8 | Very low | 33.1 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | | | trans | -160.5 | 126.6 | 131.4 | -128.6 | 67.5 | 0 | 0 | 0 | 105.4 | | |
| 399 | Q | 33.1 | Very low | 32.6 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | cis | 67 | 125.1 | 43.5 | -166.3 | 63.4 | 9.2 | 0 | 0 | 113.6 | | |
| 400 | Q | 39 | Very low | 32.6 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -43.1 | 132.3 | 179 | -66.2 | -70.9 | -22.8 | 0 | 0 | 113.4 | | |
| 401 | H | 31.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 141 Ų | 141 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -133.9 | 120.6 | 160.2 | -106.5 | -91.4 | 0 | 0 | 0 | 110.7 | | |
| 402 | F | 27.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 141 Ų | 141 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -60.9 | 141.1 | 159 | -88.7 | -118.9 | 0 | 0 | 0 | 109.1 | | |
| 403 | L | 28.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -113 | 125.6 | 149.6 | -100.4 | 82.6 | 0 | 0 | 0 | 108.9 | | |
| 404 | A | 29.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -98.8 | 137.4 | 157 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 405 | L | 31.1 | Very low | 31.8 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -135.2 | 103.3 | 167.5 | -86.6 | 165.1 | 0 | 0 | 0 | 105.2 | | |
| 406 | Q | 31.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | | 79.9 | 90.1 | 60.6 | -168.3 | 75.6 | 18.6 | 0 | 0 | 112.5 | | |
| 407 | G | 28.3 | Very low | 32 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | -119.6 | 120.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 408 | Q | 31.5 | Very low | 32.1 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | | 93.4 | 135.5 | 58.7 | -89.4 | -68.8 | -1.8 | 0 | 0 | 112.6 | | |
| 409 | H | 31.6 | Very low | 32.5 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | | | trans | 66.9 | 127.5 | -176.1 | -38.7 | -47.8 | 0 | 0 | 0 | 115.1 | | |
| 410 | G | 30 | Very low | 32.5 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | 178.3 | -164.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 411 | Q | 35.6 | Very low | 32.3 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | 78.4 | 146.1 | -174.1 | -53.4 | -67.4 | 15.6 | 0 | 0 | 116.6 | | |
| 412 | T | 29.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -137.8 | 148.9 | -169.4 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 413 | L | 31.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | | -169.8 | 134.9 | 125.9 | -125.8 | 73.4 | 0 | 0 | 0 | 113 | | |
| 414 | A | 31.3 | Very low | 32.6 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | 29.9 | 149.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 415 | A | 30.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | 97.3 | 143.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 416 | A | 31 | Very low | 32.7 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -148.4 | -175.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 417 | P | 45.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | | | cis | -137.4 | -170.7 | -1.8 | 44.2 | -26.9 | 0 | 0 | 0 | 114.8 | | |
| 418 | Q | 31.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | 67.3 | 163.7 | 154.4 | -76.9 | -171.5 | -40.8 | 0 | 0 | 119.2 | | |
| 419 | P | 44.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | | | cis | -137.7 | -169.4 | -48.1 | 39.3 | -22.2 | 0 | 0 | 0 | 112.7 | | |
| 420 | Q | 32.2 | Very low | 32.8 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | | | | 133.4 | 119.6 | 129.5 | -166.8 | 164 | -32.3 | 0 | 0 | 117.5 | | |
| 421 | Q | 34.1 | Very low | 32.8 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | trans | 53.2 | 132.8 | 152.8 | -69.3 | 163.1 | -12.9 | 0 | 0 | 122.2 | | |
| 422 | G | 31.4 | Very low | 32.5 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 172.3 | 128.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 423 | Q | 32.9 | Very low | 32.6 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -112.2 | 147.3 | -172.3 | -67.3 | -171.6 | 15.3 | 0 | 0 | 113.2 | | |
| 424 | Q | 29.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | 37 | 115.4 | 146.8 | -58.5 | 176.8 | 39.6 | 0 | 0 | 119.5 | | |
| 425 | A | 33.1 | Very low | 32.4 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | | | | -169.8 | 147.6 | 112.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 426 | V | 30.3 | Very low | 32.3 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -111.9 | 124.3 | 171.1 | 173.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 427 | L | 29.3 | Very low | 32.1 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | | | trans | -136.7 | 147.1 | 159.4 | -76.4 | -179.8 | 0 | 0 | 0 | 110.5 | | |
| 428 | R | 29.4 | Very low | 31.4 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | | | trans | -121.3 | 149.2 | -173.2 | -166.3 | -175.7 | -147.8 | 131.6 | 2.7 | 109.2 | | |
| 429 | F | 29.4 | Very low | 31.3 | Very low | 202 Ų | 202 | 135.8 Ų | 135.8 | 89% | 0.886 | 82% | 0.824 | S | S | * | * | | | trans | -58.2 | 145.7 | 177 | -77.7 | -94.4 | 0 | 0 | 0 | 112.9 | | |
| 430 | P | 36.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | | | trans | -82.8 | 162 | 174.6 | 35.6 | -36 | 0 | 0 | 0 | 112.4 | | |
| 431 | A | 30.3 | Very low | 31.6 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | | | trans | -144.8 | 142.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 432 | A | 29.8 | Very low | 31.5 | Very low | 102 Ų | 102 | 137 Ų | 137 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | | | trans | 37.9 | 123.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 433 | V | 29.7 | Very low | 31.3 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | | | trans | -129.3 | 125.1 | 160.9 | 177 | 0 | 0 | 0 | 0 | 109.3 | | |
| 434 | S | 27.4 | Very low | 31.2 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 83% | 0.833 | S | S | * | * | | | trans | -86.5 | 145.4 | 168.3 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 435 | L | 31.4 | Very low | 31.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | | | trans | -125.6 | 108.8 | 176.7 | -78.1 | 170.6 | 0 | 0 | 0 | 111.5 | | |
| 436 | T | 29 | Very low | 31 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -148.2 | 126.9 | 167.4 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 437 | G | 27.3 | Very low | 31 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | 133 | 109.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 438 | A | 30.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | | | trans | -161.6 | 142 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 439 | G | 29.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | 114.5 | 69.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 440 | V | 35.8 | Very low | 30.7 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | -143.1 | 124.2 | 158.6 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 441 | P | 46.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | | | trans | -93.3 | 153.8 | 160.6 | 34.9 | -29.9 | 0 | 0 | 0 | 111.7 | | |
| 442 | Q | 31.4 | Very low | 31 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -89 | 156.5 | -170.3 | -57.5 | 161 | -47.4 | 0 | 0 | 113.4 | | |
| 443 | Q | 28.6 | Very low | 31.1 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -147.3 | 111.8 | 144.9 | -160.7 | 166 | 7.3 | 0 | 0 | 113.9 | | |
| 444 | L | 30.8 | Very low | 31 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 63% | 0.634 | 80% | 0.804 | S | S | * | * | | | trans | 53.1 | 131 | 148.2 | -64.9 | 172.5 | 0 | 0 | 0 | 123.3 | | |
| 445 | Q | 30.5 | Very low | 31.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 71.1 | 148.5 | 140.6 | -66.6 | 160.4 | -14.4 | 0 | 0 | 119.5 | | |
| 446 | A | 27.9 | Very low | 31.6 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | | | cis | -167.8 | 175.5 | -26.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 447 | I | 29.6 | Very low | 31.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | 78.2 | 106.1 | 154.3 | -64.9 | 155.6 | 0 | 0 | 0 | 118.9 | | |
| 448 | Q | 28 | Very low | 31.5 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -35.3 | 165.6 | 147.2 | -122 | 158.2 | -4.5 | 0 | 0 | 114.5 | | |
| 449 | V | 26.3 | Very low | 31.5 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | | | cis | -155.5 | 166.6 | 39 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 450 | H | 28.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | -59 | 177.9 | 156.9 | -86.8 | 59.3 | 0 | 0 | 0 | 113.2 | | |
| 451 | P | 47 | Very low | 31 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | cis | -149 | 158.8 | 25.6 | 43.9 | -23.2 | 0 | 0 | 0 | 121.4 | | |
| 452 | N | 24.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | | | trans | 40.3 | 119.8 | 131.2 | -171.4 | 36.4 | 0 | 0 | 0 | 122.4 | | |
| 453 | T | 31.9 | Very low | 31.2 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | | -156.9 | 146.8 | 124 | -0.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 454 | Q | 28.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -132 | -179.9 | 172 | -126.9 | -164.7 | -10.6 | 0 | 0 | 106.3 | | |
| 455 | P | 43.3 | Very low | 31.1 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 60% | 0.597 | 76% | 0.756 | S | S | * | * | | | cis | -138.1 | -161.2 | -2.8 | 35.6 | -12.1 | 0 | 0 | 0 | 114.4 | | |
| 456 | T | 27.1 | Very low | 31 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 68.8 | 151.1 | 160.6 | 55.5 | 0 | 0 | 0 | 0 | 119 | | |
| 457 | S | 28 | Very low | 31 | Very low | 90 Ų | 90 | 133 Ų | 133 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | | | cis | -172.1 | 154.5 | -21.6 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 458 | N | 27 | Very low | 30.9 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | 66.6 | 117.5 | 148.8 | -64.2 | 1.4 | 0 | 0 | 0 | 122.8 | | |
| 459 | S | 30.2 | Very low | 31.1 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | | 82.5 | 144.7 | 123.9 | -57.2 | 0 | 0 | 0 | 0 | 124.6 | | |
| 460 | D | 25.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | 90.1 | 173.8 | 147.7 | -121.8 | -34.4 | 0 | 0 | 0 | 121.7 | | |
| 461 | S | 31 | Very low | 31.2 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | -136.3 | 143.4 | -133.5 | -40.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 462 | S | 27.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | 64 | 172.3 | 155.2 | -77 | 0 | 0 | 0 | 0 | 118.4 | | |
| 463 | P | 53.8 | Low | 30.6 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -132.4 | -167.5 | -36.5 | 37.2 | -19.7 | 0 | 0 | 0 | 113.4 | | |
| 464 | E | 26.2 | Very low | 30.5 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | | | trans | 80.7 | 128.9 | 153.1 | -81.1 | -172.6 | 49.9 | 0 | 0 | 123.9 | | |
| 465 | I | 30.9 | Very low | 30.8 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | 78.1 | 107.3 | 135.4 | -70 | -176.6 | 0 | 0 | 0 | 122.3 | | |
| 466 | S | 28.4 | Very low | 30.3 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | | | | 103.7 | 137.8 | 129.7 | -94.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 467 | H | 27.6 | Very low | 30.3 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | 40.2 | 114.7 | 152.9 | -41.1 | -49.8 | 0 | 0 | 0 | 118.6 | | |
| 468 | T | 28.7 | Very low | 30.6 | Very low | 135 Ų | 135 | 126 Ų | 126 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | | | | -179.5 | 160.9 | 77 | 32.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 469 | S | 30.6 | Very low | 31.3 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | | | trans | -107.6 | 111.8 | -179.8 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 470 | T | 30 | Very low | 31.4 | Very low | 134 Ų | 134 | 124 Ų | 124 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -148 | 112.1 | 163.7 | 43.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 471 | N | 28.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | | | trans | 59.2 | 102.6 | 132.3 | -142.9 | 14.2 | 0 | 0 | 0 | 121.9 | | |
| 472 | S | 29.6 | Very low | 31.8 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | | 37.2 | 134.9 | 126.2 | -37.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 473 | T | 29.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | -168.2 | 133.2 | 133.9 | -80.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 474 | A | 30.4 | Very low | 30.9 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | 63.2 | 152.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 475 | T | 34.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | cis | -138.3 | 130.6 | 25.6 | 49.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 476 | V | 32.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | | | | 54.4 | 107.6 | 126.8 | -171.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 477 | S | 28.1 | Very low | 31.9 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | 69.5 | 111.2 | 137.9 | -59.6 | 0 | 0 | 0 | 0 | 125 | | |
| 478 | L | 34.4 | Very low | 32.4 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 61.8 | 149.6 | 123.7 | -60 | 170.9 | 0 | 0 | 0 | 121.5 | | |
| 479 | P | 40.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | cis | -128.5 | 158.9 | -45.5 | 37.1 | -22.8 | 0 | 0 | 0 | 112 | | |
| 480 | A | 31.8 | Very low | 33 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -118.7 | 136.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 481 | T | 31.3 | Very low | 33.6 | Very low | 146 Ų | 146 | 123.2 Ų | 123.2 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -92.5 | 121.3 | 165.5 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 482 | I | 33.3 | Very low | 34.6 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 68% | 0.677 | 78% | 0.781 | S | S | * | * | | | trans | -95.5 | 132.8 | -175.2 | -62.6 | 174.1 | 0 | 0 | 0 | 110.5 | T484 | I482-T484 HydrophobicContact CG2-CG2 3.74Š|
| 483 | V | 31.3 | Very low | 34.6 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 87% | 0.873 | 78% | 0.78 | S | S | * | * | | | trans | -116.7 | 117.5 | 159.8 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 484 | T | 32.2 | Very low | 34.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -132 | 120.3 | 175.4 | 38.5 | 0 | 0 | 0 | 0 | 109.9 | I482 | I482-T484 HydrophobicContact CG2-CG2 3.74Š|
| 485 | S | 33.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -88.2 | 142.5 | 170.4 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 486 | S | 32.1 | Very low | 35.3 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -149.8 | 155 | 163.8 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 487 | V | 41.1 | Very low | 35.7 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -113 | 154.4 | -167.8 | -165.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 488 | P | 36.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -127.8 | 127.8 | 148.8 | 34.8 | -23.4 | 0 | 0 | 0 | 114.1 | | |
| 489 | T | 34.7 | Very low | 36.4 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -80.1 | 161.2 | 154.9 | 25.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 490 | S | 38.6 | Very low | 37.5 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | | | cis | -176 | 151.4 | -1.2 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 491 | V | 41.4 | Very low | 37.6 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | | | trans | 58.6 | 173 | 149 | -61.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 492 | P | 49.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | | -133.6 | 173.9 | -60.5 | 39 | -24 | 0 | 0 | 0 | 114 | | |
| 493 | G | 30.7 | Very low | 37.8 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | | | trans | 175.1 | 112.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 494 | H | 35.4 | Very low | 37.7 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | | | trans | 38.7 | 116.8 | 162.5 | -60.5 | -73.9 | 0 | 0 | 0 | 120.8 | | |
| 495 | M | 36.7 | Very low | 37.7 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | | | trans | -122.6 | 138.9 | 155.1 | -67.8 | -174.4 | -71.3 | 0 | 0 | 109.7 | | |
| 496 | M | 35.3 | Very low | 37.6 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 93% | 0.931 | 79% | 0.793 | S | S | * | * | | | trans | -104.7 | 140 | 167.6 | -66.1 | -171.1 | -175 | 0 | 0 | 110 | | |
| 497 | Y | 40.8 | Very low | 38 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -73.1 | 151.6 | 166.2 | -91.1 | -92.8 | 0 | 0 | 0 | 110.5 | | |
| 498 | P | 46.4 | Very low | 38 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | | -133.9 | -179.7 | 98.6 | 37.1 | -26.4 | 0 | 0 | 0 | 113.7 | | |
| 499 | S | 30.9 | Very low | 38.3 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | | | trans | -122.2 | -164.8 | -178.1 | -155.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 500 | P | 64 | Low | 38.4 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 66% | 0.656 | 79% | 0.789 | S | S | * | * | | | | -109.7 | 173.9 | -115.9 | 39.3 | -24.5 | 0 | 0 | 0 | 114.1 | | |
| 501 | H | 33.4 | Very low | 38.4 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -170.5 | 139.5 | 148.2 | -101 | -59.9 | 0 | 0 | 0 | 115.5 | | |
| 502 | T | 33.8 | Very low | 38 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | 66.3 | 103.5 | 137.5 | -50.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 503 | V | 35.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | | | | 36.4 | 128.9 | 124.3 | -174 | 0 | 0 | 0 | 0 | 121.4 | | |
| 504 | M | 29.4 | Very low | 37.3 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | | | trans | -162.9 | 173.9 | 130.4 | -109.1 | -52 | -155.4 | 0 | 0 | 113.6 | | |
| 505 | Y | 31.8 | Very low | 37.1 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -116.6 | 153.9 | -160.2 | -120.4 | -103.5 | 0 | 0 | 0 | 115.2 | | |
| 506 | A | 30.8 | Very low | 36.9 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | 65 | 172.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 507 | P | 41.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | | -125.9 | -177.7 | -52.1 | 36.8 | -24.1 | 0 | 0 | 0 | 112.6 | | |
| 508 | T | 40.5 | Very low | 36.4 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -67 | 155.2 | 167.9 | 41 | 0 | 0 | 0 | 0 | 112.9 | | |
| 509 | P | 43.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -129.9 | 161.1 | 121.9 | 37.7 | -31.5 | 0 | 0 | 0 | 112.4 | | |
| 510 | A | 37.2 | Very low | 35.7 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -114.2 | 140 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 511 | L | 36.8 | Very low | 34.1 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -168.1 | 141.6 | 149.5 | -134 | 77.7 | 0 | 0 | 0 | 111.7 | | |
| 512 | A | 34.1 | Very low | 34.2 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 50.3 | 156.5 | 133.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 513 | D | 32.1 | Very low | 35 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | cis | -169.3 | 164.8 | -31.8 | -160 | -7.9 | 0 | 0 | 0 | 107.8 | | |
| 514 | G | 32.1 | Very low | 35 | Very low | 69 Ų | 69 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | | | trans | 93.7 | 122.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 515 | G | 32.2 | Very low | 35.1 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | cis | 116.9 | 123.8 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 516 | L | 31.9 | Very low | 35.2 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | | | trans | -167 | 149.7 | 166.7 | -111.4 | 172.3 | 0 | 0 | 0 | 111.4 | | |
| 517 | A | 35.3 | Very low | 35.4 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | | | trans | 45.5 | 101.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 518 | V | 31.2 | Very low | 34.9 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | | 68.3 | 100.3 | 60.6 | -174.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 519 | L | 31.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 123 Ų | 123 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | | | trans | -144.1 | 148.3 | 131 | -96.5 | 177.8 | 0 | 0 | 0 | 107.8 | | |
| 520 | N | 31.5 | Very low | 34 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -134.4 | 140.5 | -168.4 | -176.2 | 20.6 | 0 | 0 | 0 | 112.4 | | |
| 521 | A | 30.6 | Very low | 33.8 | Very low | 99 Ų | 99 | 127.4 Ų | 127.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -144.4 | 135.9 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 522 | Y | 33.9 | Very low | 33.3 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 64% | 0.635 | 78% | 0.779 | S | S | * | * | | | trans | -154.5 | 165.6 | -163.3 | -149.6 | -107.8 | 0 | 0 | 0 | 107.6 | Q524 | Y522-Q524 HydrophobicContact CD1-CB 4.15Å; Y522-Q524 HydrophobicContact CD2-CB 4.45Å; Y522-Q524 HydrophobicContact CD2-CG 4.35Å; Y522-Q524 HydrophobicContact CE1-CB 3.62Å; Y522-Q524 HydrophobicContact CE1-CG 4.15Å; Y522-Q524 HydrophobicContact CE2-CB 3.98Å; Y522-Q524 HydrophobicContact CE2-CG 3.63Å; Y522-Q524 VanDerWaalsContact CZ-CG 3.49Å; Y522-Q524 VanDerWaalsContact OH-CD 3.27Å; Y522-Q524 WeakPolarHBondContact OH-CG 3.47Å; Y522-Q524 PolarHBondContact OH-NE2 3Å |
| 523 | P | 50.5 | Low | 33.1 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | cis | -107.7 | 177.2 | 0.6 | 6.1 | 19.4 | 0 | 0 | 0 | 113.6 | | |
| 524 | Q | 35.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | | | cis | 88.5 | 147 | 16.7 | -96.3 | -107.8 | 20.1 | 0 | 0 | 119 | Y522 | Y522-Q524 HydrophobicContact CD1-CB 4.15Å; Y522-Q524 HydrophobicContact CD2-CB 4.45Å; Y522-Q524 HydrophobicContact CD2-CG 4.35Å; Y522-Q524 HydrophobicContact CE1-CB 3.62Å; Y522-Q524 HydrophobicContact CE1-CG 4.15Å; Y522-Q524 HydrophobicContact CE2-CB 3.98Å; Y522-Q524 HydrophobicContact CE2-CG 3.63Å; Y522-Q524 VanDerWaalsContact CZ-CG 3.49Å; Y522-Q524 VanDerWaalsContact OH-CD 3.27Å; Y522-Q524 WeakPolarHBondContact OH-CG 3.47Å; Y522-Q524 PolarHBondContact OH-NE2 3Å |
| 525 | G | 32 | Very low | 32.8 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 128.6 | 88.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 526 | A | 35.1 | Very low | 32.7 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | 101 | 123 | 18 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 527 | T | 33.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | 172.7 | 165.3 | 158.6 | 19.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 528 | A | 31.8 | Very low | 32.4 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | | -153.9 | 157.3 | -62.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 529 | M | 33.2 | Very low | 32.6 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -81.3 | 146.4 | 178.3 | -60.5 | 172.9 | 79.9 | 0 | 0 | 112 | | |
| 530 | Q | 31.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | -148.5 | 147 | 152.1 | -161.1 | 167.4 | -1.3 | 0 | 0 | 111.4 | | |
| 531 | V | 33.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | -133.4 | 130.8 | -179.1 | 170.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 532 | S | 26 | Very low | 32.9 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -170.8 | 130.9 | 155.4 | -86.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 533 | H | 31.1 | Very low | 33.1 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | | | trans | 36.5 | 116 | 144.5 | -68.9 | -78.8 | 0 | 0 | 0 | 123.7 | | |
| 534 | A | 28.1 | Very low | 32 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 87.2 | 113.2 | 117.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 535 | H | 28.6 | Very low | 31.7 | Very low | 188 Ų | 188 | 130 Ų | 130 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | | 67.5 | 92 | 127.6 | -165 | 95.5 | 0 | 0 | 0 | 120.5 | | |
| 536 | S | 30 | Very low | 31.5 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | -169.9 | 148.3 | 130.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 537 | Q | 32.7 | Very low | 31.2 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | 52.7 | 109.7 | 148.3 | -70.6 | 171.4 | -22.3 | 0 | 0 | 122.2 | | |
| 538 | D | 30.1 | Very low | 31.1 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | | 12.8 | 155.4 | 128.2 | -153.8 | -111 | 0 | 0 | 0 | 123.8 | | |
| 539 | T | 34 | Very low | 31.2 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | 49.8 | 120.5 | 166.7 | 29.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 540 | G | 31.2 | Very low | 31.5 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -103.3 | 162.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 541 | A | 33.6 | Very low | 32.3 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -155.6 | 149 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 542 | V | 35.1 | Very low | 32.2 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -110.6 | 123.8 | 178 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 543 | P | 38.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -93.8 | 119.7 | -172.7 | 33.8 | -33.3 | 0 | 0 | 0 | 114.9 | | |
| 544 | Q | 28.1 | Very low | 32.6 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | | 38.7 | 152.2 | 125.1 | -130 | -168.4 | 13.3 | 0 | 0 | 123.8 | | |
| 545 | V | 28 | Very low | 32.7 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | | | trans | 71.3 | 144.9 | 156.4 | -49.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 546 | F | 28.1 | Very low | 32.9 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | | | cis | -158.9 | -175 | -15.7 | -137.1 | -105.8 | 0 | 0 | 0 | 110.8 | | |
| 547 | L | 28.5 | Very low | 33.4 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | | | trans | 125.2 | 90.3 | 159.6 | -69.6 | 168.4 | 0 | 0 | 0 | 111.7 | | |
| 548 | T | 32 | Very low | 33.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | | | | 77.4 | 120.2 | 74.6 | -153.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 549 | A | 33.5 | Very low | 33.7 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -160.8 | 131.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 550 | P | 40 | Very low | 33.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -128.3 | -178.6 | 172 | 44.3 | -32.2 | 0 | 0 | 0 | 112.4 | | |
| 551 | P | 47.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | | | | -130.6 | 172.2 | -67.5 | 38.7 | -23.3 | 0 | 0 | 0 | 112.6 | | |
| 552 | G | 33 | Very low | 33.9 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -176.2 | 110.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 553 | T | 32.1 | Very low | 33.9 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -85.7 | 149 | -177.5 | 48 | 0 | 0 | 0 | 0 | 114.1 | | |
| 554 | L | 32.5 | Very low | 33.7 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 93% | 0.927 | 80% | 0.797 | S | S | * | * | | | | -159.4 | 159.5 | 125 | -107.8 | 173.1 | 0 | 0 | 0 | 111.4 | | |
| 555 | Q | 29.3 | Very low | 34.1 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -146.7 | 134.6 | -165.6 | 176.2 | -170.1 | 25.8 | 0 | 0 | 110.2 | | |
| 556 | I | 34.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -164.2 | 153.1 | 161.3 | -112 | 153 | 0 | 0 | 0 | 110 | | |
| 557 | P | 39.2 | Very low | 34.6 | Very low | 102 Ų | 102 | 136 Ų | 136 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | | | trans | -107.3 | 171.6 | -144.6 | 39.9 | -37.4 | 0 | 0 | 0 | 116.7 | | |
| 558 | V | 38 | Very low | 34.7 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 92% | 0.915 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 120.4 | 163.7 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 559 | S | 32.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 130 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 560 | A | 36.1 | Very low | 34.6 | Very low | 101 Ų | 101 | 138 Ų | 138 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 152.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 561 | V | 32.9 | Very low | 34.2 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | trans | -126.4 | 121.3 | 167.9 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 562 | Q | 33.2 | Very low | 33.3 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -42.3 | 135.3 | 177.6 | -148.2 | 75.7 | 16.7 | 0 | 0 | 115.4 | H564 | Q562-H564 VanDerWaalsContact CG-CE1 3.45Å; Q562-H564 WeakPolarHBondContact CG-CE1 3.01Å; Q562-H564 WeakPolarHBondContact CG-ND1 3.45Å |
| 563 | L | 34.5 | Very low | 33.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | | | trans | -89.9 | 143.9 | 155.3 | -69.9 | 174.3 | 0 | 0 | 0 | 109.9 | | |
| 564 | H | 33.4 | Very low | 33.1 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 73% | 0.731 | 81% | 0.805 | S | S | * | * | | | trans | -136.7 | 152.5 | 167.5 | -88.1 | 111.1 | 0 | 0 | 0 | 110.3 | Q562 | Q562-H564 VanDerWaalsContact CG-CE1 3.45Å; Q562-H564 WeakPolarHBondContact CG-CE1 3.01Å; Q562-H564 WeakPolarHBondContact CG-ND1 3.45Å |
| 565 | P | 37.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 149.9 | -155.7 | 32.6 | -36.9 | 0 | 0 | 0 | 114.7 | | |
| 566 | M | 31.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 133.7 Ų | 133.7 | 93% | 0.931 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 118.5 | 169.1 | -174.5 | 167.6 | 62.8 | 0 | 0 | 110.1 | | |
| 567 | V | 34.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 141.1 | -179.7 | 175.2 | 0 | 0 | 0 | 0 | 111 | | |
| 568 | I | 31.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 138.2 | -179.3 | -153.6 | 165 | 0 | 0 | 0 | 111.4 | | |
| 569 | G | 30 | Very low | 32.3 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | -131.6 | 113.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 570 | Q | 32.3 | Very low | 32.4 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -83 | 141.2 | 166.3 | -61 | 177.6 | -4 | 0 | 0 | 109.8 | | |
| 571 | Q | 31.5 | Very low | 32.2 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | | 177.7 | 124.1 | 116.2 | -97.3 | 155.1 | 103.3 | 0 | 0 | 115.6 | | |
| 572 | S | 30.1 | Very low | 32.8 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | | | trans | 30.4 | 120.6 | 136.6 | 60.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 573 | S | 32.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | trans | 53 | 118.2 | 131.7 | 65.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 574 | G | 28.5 | Very low | 33.2 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | -158.2 | 125 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 575 | S | 32.7 | Very low | 33.7 | Very low | 126 Ų | 126 | 128 Ų | 128 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | | | trans | -107.9 | 131.4 | -177.6 | 57.6 | 0 | 0 | 0 | 0 | 112 | | |
| 576 | S | 32.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -145.3 | 146.4 | 162.7 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 577 | S | 31 | Very low | 34.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -109.8 | 151.4 | -179.6 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 578 | S | 31.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | | 173.5 | 155.6 | 129.3 | 41.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 579 | S | 29.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 51.8 | 109 | 151.8 | 50.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 580 | S | 35.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -63.3 | 138.6 | 157.1 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 581 | S | 30.1 | Very low | 36 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -150.2 | 105.2 | 157.8 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 582 | S | 45.7 | Very low | 36.9 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -94.4 | 106.1 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 583 | N | 29.8 | Very low | 37 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -116.3 | 134.4 | 169.3 | -83.5 | -83 | 0 | 0 | 0 | 110.3 | T585 | N583-T585 PolarHBondContact O-N 3.15Š|
| 584 | L | 46.4 | Very low | 37.6 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | | | trans | -95.9 | 78.1 | -172.5 | -74.6 | 168.2 | 0 | 0 | 0 | 111.4 | | |
| 585 | T | 43.7 | Very low | 37.9 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -138.5 | 63.1 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 113 | N583 | N583-T585 PolarHBondContact O-N 3.15Š|
| 586 | E | 39.1 | Very low | 38.2 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | -159.1 | 108.1 | 156.7 | -120.3 | 169.3 | -174 | 0 | 0 | 112.4 | Q588 | E586-Q588 VanDerWaalsContact C-N 3.26Å; E586-Q588 PolarHBondContact O-N 3.05Å |
| 587 | L | 43.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | | | trans | -76.9 | 81.3 | 164.9 | -85.9 | 170.6 | 0 | 0 | 0 | 108.5 | V589 | L587-V589 PolarHBondContact O-N 3.27Š|
| 588 | Q | 42.7 | Very low | 38.3 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -68 | 92.8 | -176.8 | -164 | 175.8 | 32.5 | 0 | 0 | 111.2 | E586 V590 | E586-Q588 VanDerWaalsContact C-N 3.26Å; E586-Q588 PolarHBondContact O-N 3.05Å; Q588-V590 HydrophobicContact CG-CG2 4.43Å; Q588-V590 PolarHBondContact O-N 3.03Å |
| 589 | V | 41.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | | | trans | -69.8 | 93.7 | 173.4 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | L587 N591 | L587-V589 PolarHBondContact O-N 3.27Å; V589-N591 PolarHBondContact O-N 3.4Å |
| 590 | V | 41.6 | Very low | 39.1 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | | | trans | -72.6 | 80.6 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | Q588 L592 | Q588-V590 HydrophobicContact CG-CG2 4.43Å; Q588-V590 PolarHBondContact O-N 3.03Å; V590-L592 HydrophobicContact CG1-CG 4.37Å; V590-L592 PolarHBondContact O-N 3.38Å; V590-L592 VanDerWaalsContact O-N 3.15Å |
| 591 | N | 38.4 | Very low | 39.2 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -73.4 | 100.5 | 171.4 | -166.2 | 67 | 0 | 0 | 0 | 108.5 | V589 D593 | V589-N591 PolarHBondContact O-N 3.4Å; N591-D593 VanDerWaalsContact C-N 3.27Å; N591-D593 PolarHBondContact O-N 3.07Å |
| 592 | L | 49.3 | Very low | 39.7 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 83.3 | 175.8 | -84.2 | 151.7 | 0 | 0 | 0 | 109.7 | V590 | V590-L592 HydrophobicContact CG1-CG 4.37Å; V590-L592 PolarHBondContact O-N 3.38Å; V590-L592 VanDerWaalsContact O-N 3.15Å |
| 593 | D | 33.3 | Very low | 39.3 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | | | trans | -64.6 | 142.5 | 165 | -168.8 | -114.3 | 0 | 0 | 0 | 110.2 | N591 T595 | N591-D593 VanDerWaalsContact C-N 3.27Å; N591-D593 PolarHBondContact O-N 3.07Å; D593-T595 PolarHBondContact O-N 2.84Å |
| 594 | A | 43.8 | Very low | 39.9 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | -91 | 84.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q596 | A594-Q596 PolarHBondContact O-N 3.38Š|
| 595 | T | 34.9 | Very low | 39.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -59.6 | 105.2 | 171.3 | 41.2 | 0 | 0 | 0 | 0 | 110.6 | D593 S597 | D593-T595 PolarHBondContact O-N 2.84Å; T595-S597 PolarHBondContact O-N 3.17Å |
| 596 | Q | 38.8 | Very low | 39.2 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | trans | -64.2 | 121.4 | 173.1 | -63.3 | -176.2 | 15.3 | 0 | 0 | 108.9 | A594 T598 | A594-Q596 PolarHBondContact O-N 3.38Å; Q596-T598 PolarHBondContact O-N 2.98Å; Q596-T598 VanDerWaalsContact O-N 3.08Å |
| 597 | S | 31.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -81.1 | 86.5 | 171.5 | -170.7 | 0 | 0 | 0 | 0 | 109 | T595 K599 | T595-S597 PolarHBondContact O-N 3.17Å; S597-K599 PolarHBondContact O-N 3.1Å; S597-K599 VanDerWaalsContact O-N 3.07Å |
| 598 | T | 33.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | trans | -70.6 | 96.3 | 165.9 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | Q596 G600 | Q596-T598 PolarHBondContact O-N 2.98Å; Q596-T598 VanDerWaalsContact O-N 3.08Å; T598-G600 PolarHBondContact O-N 3.42Å |
| 599 | K | 36.8 | Very low | 38.6 | Very low | 179 Ų | 179 | 130 Ų | 130 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -61.4 | 126.9 | 168.4 | -176.4 | -173.3 | 178.1 | -170.1 | 0 | 108.8 | S597 | S597-K599 PolarHBondContact O-N 3.1Å; S597-K599 VanDerWaalsContact O-N 3.07Å |
| 600 | G | 41.6 | Very low | 38.4 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -133.1 | 124 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108 | T598 | T598-G600 PolarHBondContact O-N 3.42Š|
| 601 | D | 37.1 | Very low | 38.1 | Very low | 223 Ų | 223 | 136.6 Ų | 136.6 | 100% | 1.193 | 79% | 0.791 | S | S | * | * | | | trans | 26.6 | 0 | -171.7 | -77.7 | -133.1 | 0 | 0 | 0 | 117 | | |