| 1 | M | 40.4 | Very low | 53.7 | Low | 242 Ų | 242 | 188.7 Ų | 188.7 | 100% | 1.192 | 87% | 0.866 | S | S | * | * | | | | 0 | 137.8 | 0 | -80.6 | -172.9 | -69.4 | 0 | 0 | 109.9 | | |
| 2 | R | 54.2 | Low | 53.7 | Low | 223 Ų | 223 | 185.3 Ų | 185.3 | 84% | 0.842 | 85% | 0.851 | S | S | * | * | | | trans | -32.2 | 137 | 173.2 | -62.9 | 171 | -89.2 | -150.2 | -3.8 | 115.4 | | |
| 3 | K | 52.8 | Low | 53.4 | Low | 209 Ų | 209 | 185.3 Ų | 185.3 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | | | | -145.8 | 100.7 | 123.7 | -69.6 | -160 | -178.3 | 175.9 | 0 | 110.3 | | |
| 4 | I | 69.3 | Low | 53.3 | Low | 152 Ų | 152 | 184.7 Ų | 184.7 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | | | trans | -61.6 | 129.5 | 156.7 | -60.2 | 154.3 | 0 | 0 | 0 | 106.8 | | |
| 5 | K | 58.8 | Low | 53.4 | Low | 183 Ų | 183 | 184.9 Ų | 184.9 | 80% | 0.796 | 85% | 0.848 | S | S | * | * | | | trans | -173.8 | 128.9 | 157.4 | -104.5 | 179.9 | -174.1 | -162.3 | 0 | 106.2 | | |
| 6 | E | 52.3 | Low | 53.4 | Low | 161 Ų | 161 | 185.6 Ų | 185.6 | 75% | 0.752 | 86% | 0.855 | S | S | * | * | | | cis | -166 | 143.8 | 16.1 | -171.7 | 160.1 | 157.4 | 0 | 0 | 107.8 | | |
| 7 | K | 55.2 | Low | 53.2 | Low | 205 Ų | 205 | 178.9 Ų | 178.9 | 89% | 0.891 | 85% | 0.849 | S | S | * | * | | | trans | -64.5 | 143.1 | 174.7 | -67.2 | 165.3 | 170.4 | -176.9 | 0 | 109.9 | | |
| 8 | G | 53.6 | Low | 52.7 | Low | 70 Ų | 70 | 177.2 Ų | 177.2 | 72% | 0.722 | 85% | 0.846 | S | S | * | * | | | trans | 105.5 | 99 | 139.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 9 | R | 50.3 | Low | 52.9 | Low | 248 Ų | 248 | 174.2 Ų | 174.2 | 94% | 0.936 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -130.7 | 97.3 | 135.2 | -82.5 | -168.8 | -177.8 | -170.9 | 1.1 | 108.8 | | |
| 10 | R | 51 | Low | 52.5 | Low | 207 Ų | 207 | 173.8 Ų | 173.8 | 78% | 0.781 | 85% | 0.846 | S | S | * | * | | | trans | 35.8 | 116.8 | 143.9 | -66.6 | 173.7 | 170 | 164.3 | -4.8 | 116.2 | | |
| 11 | L | 52.8 | Low | 52.4 | Low | 176 Ų | 176 | 169.6 Ų | 169.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | | | cis | 53.1 | 46.8 | 32.4 | -110.4 | 170.4 | 0 | 0 | 0 | 114.1 | | |
| 12 | E | 53.9 | Low | 52.8 | Low | 148 Ų | 148 | 164 Ų | 164 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | trans | -142.8 | 75.3 | 158 | -71 | -164.3 | -170.2 | 0 | 0 | 110 | | |
| 13 | Q | 50.4 | Low | 52.8 | Low | 185 Ų | 185 | 161.1 Ų | 161.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -142 | 78.8 | 142 | -86.7 | -180 | -6.3 | 0 | 0 | 102.9 | | |
| 14 | E | 51.6 | Low | 52.6 | Low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | | | | 51.1 | 82.1 | 106.1 | -66.2 | -171.3 | 155.5 | 0 | 0 | 109.5 | | |
| 15 | K | 54.7 | Low | 51.8 | Low | 188 Ų | 188 | 153.4 Ų | 153.4 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | | | | 37.4 | 80.6 | 81.3 | -90.7 | -163.8 | 175.4 | -156 | 0 | 112.2 | | |
| 16 | M | 53.8 | Low | 51.5 | Low | 195 Ų | 195 | 148.1 Ų | 148.1 | 96% | 0.961 | 82% | 0.817 | S | S | * | * | | | trans | -147.3 | 126.8 | 133.6 | -66.4 | -152.9 | -152.9 | 0 | 0 | 106.1 | | |
| 17 | G | 50 | Low | 51.8 | Low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | cis | -154.8 | 148.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 18 | D | 44 | Very low | 52.1 | Low | 148 Ų | 148 | 142.8 Ų | 142.8 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | trans | -54 | 139.3 | 178.8 | -76.8 | -53.4 | 0 | 0 | 0 | 112.4 | | |
| 19 | S | 56 | Low | 52.4 | Low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | -55 | 128.8 | 160.6 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 20 | I | 44.5 | Very low | 52.9 | Low | 167 Ų | 167 | 139 Ų | 139 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -138 | 126.3 | 150.8 | -58.4 | -176.2 | 0 | 0 | 0 | 107.7 | | |
| 21 | A | 51.5 | Low | 53.5 | Low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | | | trans | -65.1 | 171.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 22 | P | 48.6 | Very low | 53.9 | Low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | | -144.1 | 158.7 | 91.8 | 34.6 | -17 | 0 | 0 | 0 | 116 | | |
| 23 | N | 55 | Low | 54 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -47.9 | 137.6 | 165 | -67.2 | -50.4 | 0 | 0 | 0 | 113.2 | | |
| 24 | A | 46.8 | Very low | 54 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -153.8 | 93.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 25 | A | 53.2 | Low | 54.3 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | | 64.7 | 114.8 | 93.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 26 | G | 53.4 | Low | 54.2 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | 121.2 | 77.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 27 | T | 58.2 | Low | 54.2 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | | -169.3 | 120.3 | 115.3 | 11 | 0 | 0 | 0 | 0 | 109.4 | | |
| 28 | P | 61.1 | Low | 54.2 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 149.3 | 170.7 | 28.3 | -32.4 | 0 | 0 | 0 | 109.7 | | |
| 29 | P | 60 | Low | 54.4 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 148 | 177 | 27.1 | -34.1 | 0 | 0 | 0 | 110.3 | T31 | P29-T31 VanDerWaalsContact O-N 3.16Å; P29-T31 PolarHBondContact O-N 3.4Å |
| 30 | P | 61 | Low | 54.6 | Low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.7 | 179.9 | 24.9 | -32.6 | 0 | 0 | 0 | 109.9 | | |
| 31 | T | 62.7 | Low | 55.5 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 134.2 | 170.2 | 35 | 0 | 0 | 0 | 0 | 109.8 | P29 | P29-T31 VanDerWaalsContact O-N 3.16Å; P29-T31 PolarHBondContact O-N 3.4Å |
| 32 | P | 61.6 | Low | 55.6 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.4 | 174 | 27.4 | -33.2 | 0 | 0 | 0 | 110 | S34 | P32-S34 PolarHBondContact O-N 2.94Š|
| 33 | P | 56.9 | Low | 55.9 | Low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 124.9 | -177.6 | 24.3 | -32.1 | 0 | 0 | 0 | 110.5 | V35 | P33-V35 PolarHBondContact O-N 2.82Š|
| 34 | S | 50.3 | Low | 56 | Low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 120.8 | 175.3 | -165.7 | 0 | 0 | 0 | 0 | 109.8 | P32 A36 | P32-S34 PolarHBondContact O-N 2.94Å; S34-A36 PolarHBondContact O-N 3.3Å |
| 35 | V | 56.6 | Low | 56.4 | Low | 153 Ų | 153 | 131 Ų | 131 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -78.5 | 72.8 | 174.5 | -166.7 | 0 | 0 | 0 | 0 | 108 | P33 | P33-V35 PolarHBondContact O-N 2.82Š|
| 36 | A | 53 | Low | 56.3 | Low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | | | trans | -139.2 | 82.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S34 | S34-A36 PolarHBondContact O-N 3.3Š|
| 37 | A | 54.1 | Low | 56.7 | Low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | 175.5 | 71.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 38 | M | 49.5 | Very low | 56.4 | Low | 161 Ų | 161 | 139.4 Ų | 139.4 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | | 30.2 | 113.2 | 80.2 | -71.4 | -161.6 | 87.2 | 0 | 0 | 115 | | |
| 39 | L | 48.7 | Very low | 56.2 | Low | 134 Ų | 134 | 141.7 Ų | 141.7 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | | | trans | 75.4 | 132.4 | 147.4 | -59.9 | 162.1 | 0 | 0 | 0 | 115.4 | | |
| 40 | E | 60.4 | Low | 56.1 | Low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | cis | -168.5 | 172.3 | 22.1 | -115.7 | 173.7 | -157.2 | 0 | 0 | 110.8 | | |
| 41 | P | 63.2 | Low | 55.5 | Low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | trans | -98.9 | 159.3 | -163.6 | 39.5 | -34.5 | 0 | 0 | 0 | 113.8 | | |
| 42 | K | 53.8 | Low | 55 | Low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | -149.9 | 114.9 | 154.9 | -70.2 | -160.1 | 176.6 | -175.5 | 0 | 113.8 | | |
| 43 | E | 53.3 | Low | 54.5 | Low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 75 | 112.2 | 130.7 | -64 | 168.6 | -156.4 | 0 | 0 | 119.9 | | |
| 44 | E | 58.1 | Low | 54.4 | Low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | trans | -45.5 | 135.1 | 151.7 | -68.9 | 164.9 | 145.4 | 0 | 0 | 111.5 | | |
| 45 | L | 54.7 | Low | 54.8 | Low | 176 Ų | 176 | 140.4 Ų | 140.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -145.6 | 124.6 | 147.4 | -87.9 | 176.8 | 0 | 0 | 0 | 109.2 | | |
| 46 | D | 51.5 | Low | 54.7 | Low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -60.6 | 147.9 | -178.4 | -68.9 | -62.1 | 0 | 0 | 0 | 114.4 | | |
| 47 | E | 62 | Low | 55 | Low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | 15.7 | 114.7 | 146.2 | -54.5 | -90.3 | 145.2 | 0 | 0 | 118.4 | | |
| 48 | D | 52.3 | Low | 55.3 | Low | 171 Ų | 171 | 141 Ų | 141 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | | | trans | -153.2 | 109 | 146.1 | -102.8 | -29.3 | 0 | 0 | 0 | 109.5 | | |
| 49 | E | 56.4 | Low | 55.5 | Low | 163 Ų | 163 | 140.5 Ų | 140.5 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -62.3 | 163 | 162.4 | -89.3 | -124.4 | -174.6 | 0 | 0 | 110.2 | | |
| 50 | P | 57.8 | Low | 56.2 | Low | 107 Ų | 107 | 145.1 Ų | 145.1 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | cis | -150.7 | 173 | 34.7 | 41 | -19.1 | 0 | 0 | 0 | 117.6 | | |
| 51 | S | 49.4 | Very low | 56 | Low | 85 Ų | 85 | 147.6 Ų | 147.6 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | trans | 72.8 | 122.2 | 134.1 | -82.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 52 | T | 51.9 | Low | 55.9 | Low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | 90.4 | 136.6 | 128.6 | 62 | 0 | 0 | 0 | 0 | 119.7 | | |
| 53 | S | 50 | Low | 56 | Low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | trans | 96.7 | 96.8 | 137.3 | -175.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 54 | T | 55.9 | Low | 56.3 | Low | 112 Ų | 112 | 143 Ų | 143 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | | | | 45.9 | 98.5 | 120.7 | -9.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 55 | N | 58.3 | Low | 56.6 | Low | 154 Ų | 154 | 139.5 Ų | 139.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | | -158.7 | 105 | 113.1 | -90.6 | -36.1 | 0 | 0 | 0 | 107.3 | P57 | N55-P57 VanDerWaalsContact C-CD 3.41Å; N55-P57 WeakPolarHBondContact O-CD 2.9Å |
| 56 | V | 54.7 | Low | 56.7 | Low | 122 Ų | 122 | 136.3 Ų | 136.3 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | | | trans | -83.4 | 100.6 | 161.2 | -174.7 | 0 | 0 | 0 | 0 | 106.1 | V58 | V56-V58 HydrophobicContact CG1-CG2 3.69Å; V56-V58 PolarHBondContact O-N 2.9Å |
| 57 | P | 58.2 | Low | 57.2 | Low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | | | trans | -73.4 | 106.9 | 146.5 | 29.3 | -27.3 | 0 | 0 | 0 | 106.4 | N55 L59 | N55-P57 VanDerWaalsContact C-CD 3.41Å; N55-P57 WeakPolarHBondContact O-CD 2.9Å; P57-L59 PolarHBondContact O-N 3.22Å |
| 58 | V | 60.5 | Low | 56.9 | Low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | trans | -65.6 | 85 | 156.9 | 179 | 0 | 0 | 0 | 0 | 106.3 | V56 R60 | V56-V58 HydrophobicContact CG1-CG2 3.69Å; V56-V58 PolarHBondContact O-N 2.9Å; V58-R60 HydrophobicContact CG1-CB 3.99Å |
| 59 | L | 54.7 | Low | 57 | Low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | -101.1 | 77.9 | 153.4 | -73 | 176.4 | 0 | 0 | 0 | 106.8 | P57 R61 | P57-L59 PolarHBondContact O-N 3.22Å; L59-R61 PolarHBondContact O-N 3.31Å |
| 60 | R | 63 | Low | 57 | Low | 232 Ų | 232 | 125.5 Ų | 125.5 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | | | trans | -63.6 | 82.9 | 166.8 | -166.4 | -177.7 | -176.6 | 178.8 | 1.8 | 108.5 | V58 | V58-R60 HydrophobicContact CG1-CB 3.99Š|
| 61 | R | 57.1 | Low | 56.8 | Low | 219 Ų | 219 | 125 Ų | 125 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | | | trans | -143.5 | 96.8 | 163.5 | -75.1 | -169.5 | 169.1 | -163.5 | -3 | 108.3 | L59 N63 | L59-R61 PolarHBondContact O-N 3.31Å; R61-N63 PolarHBondContact O-N 2.83Å |
| 62 | V | 59.7 | Low | 57 | Low | 119 Ų | 119 | 129.5 Ų | 129.5 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | | | trans | -19.4 | 119.8 | 154.3 | -98.1 | 0 | 0 | 0 | 0 | 111.7 | S64 | V62-S64 PolarHBondContact O-N 3.16Š|
| 63 | N | 55.3 | Low | 57.2 | Low | 171 Ų | 171 | 127.9 Ų | 127.9 | 91% | 0.914 | 72% | 0.723 | S | S | * | * | | | trans | -71.8 | 41.8 | 156.9 | -74.3 | -26 | 0 | 0 | 0 | 110.2 | R61 P65 | R61-N63 PolarHBondContact O-N 2.83Å; N63-P65 WeakPolarHBondContact O-CD 3.5Å |
| 64 | S | 61.4 | Low | 57.8 | Low | 77 Ų | 77 | 132.3 Ų | 132.3 | 54% | 0.538 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -66.7 | 122.8 | 145.8 | -53.1 | 0 | 0 | 0 | 0 | 103.6 | V62 | V62-S64 PolarHBondContact O-N 3.16Š|
| 65 | P | 63.3 | Low | 58 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | | | trans | -46.9 | 141 | 165.8 | 21.3 | -31.3 | 0 | 0 | 0 | 106.9 | N63 A67 | N63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-A67 VanDerWaalsContact C-N 3.33Å; P65-A67 PolarHBondContact O-N 2.74Å |
| 66 | P | 58 | Low | 57.9 | Low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | | | trans | -51.6 | 108.6 | 176 | 20.9 | -30.7 | 0 | 0 | 0 | 106.4 | Q68 | P66-Q68 PolarHBondContact O-N 2.7Å; P66-Q68 HydrophobicContact CB-CG 4.05Å; P66-Q68 HydrophobicContact CB-CB 4.43Å |
| 67 | A | 60.4 | Low | 57.9 | Low | 94 Ų | 94 | 138.9 Ų | 138.9 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | | | trans | -71.5 | 59.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | P65 S69 | P65-A67 VanDerWaalsContact C-N 3.33Å; P65-A67 PolarHBondContact O-N 2.74Å; A67-S69 VanDerWaalsContact O-N 3.09Å; A67-S69 PolarHBondContact O-N 3.09Å |
| 68 | Q | 56 | Low | 57.9 | Low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | | | trans | -80.1 | 64.9 | 155 | -70.8 | -166.7 | 3.5 | 0 | 0 | 106 | P66 T70 | P66-Q68 PolarHBondContact O-N 2.7Å; P66-Q68 HydrophobicContact CB-CG 4.05Å; P66-Q68 HydrophobicContact CB-CB 4.43Å; Q68-T70 PolarHBondContact O-N 2.95Å |
| 69 | S | 54.8 | Low | 58 | Low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -69.8 | 69.4 | 139.7 | 62.3 | 0 | 0 | 0 | 0 | 106.4 | A67 S71 | A67-S69 VanDerWaalsContact O-N 3.09Å; A67-S69 PolarHBondContact O-N 3.09Å; S69-S71 PolarHBondContact O-N 2.95Å |
| 70 | T | 56.2 | Low | 58.4 | Low | 91 Ų | 91 | 144.8 Ų | 144.8 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | | | trans | -75.4 | 67.5 | 150.8 | 52.3 | 0 | 0 | 0 | 0 | 105.5 | Q68 Y72 | Q68-T70 PolarHBondContact O-N 2.95Å; T70-Y72 PolarHBondContact O-N 2.83Å |
| 71 | S | 54.3 | Low | 57.8 | Low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -71.9 | 66.9 | 167.6 | -53.6 | 0 | 0 | 0 | 0 | 107.1 | S69 A73 | S69-S71 PolarHBondContact O-N 2.95Å; S71-A73 PolarHBondContact O-N 2.76Å |
| 72 | Y | 53.3 | Low | 58.1 | Low | 181 Ų | 181 | 136.8 Ų | 136.8 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | | | trans | -65.5 | 76.5 | 145.3 | -67.3 | -77.5 | 0 | 0 | 0 | 105 | T70 R74 | T70-Y72 PolarHBondContact O-N 2.83Å; Y72-R74 PolarHBondContact O-N 2.93Å |
| 73 | A | 56.4 | Low | 57.9 | Low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | | | trans | -65 | 77 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | S71 R75 | S71-A73 PolarHBondContact O-N 2.76Å; A73-R75 PolarHBondContact O-N 2.79Å; A73-R75 VanDerWaalsContact O-N 3.14Å; A73-R75 VanDerWaalsContact C-N 3.32Å |
| 74 | R | 61.5 | Low | 57.5 | Low | 188 Ų | 188 | 136.5 Ų | 136.5 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | | | trans | -79.8 | 90.1 | 168.7 | -62.6 | -171.3 | -153.3 | -160.9 | 6.1 | 106.4 | Y72 | Y72-R74 PolarHBondContact O-N 2.93Š|
| 75 | R | 61 | Low | 57.1 | Low | 217 Ų | 217 | 137.5 Ų | 137.5 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 75.5 | 139.5 | 158.9 | -46.7 | 169 | -72 | -174.9 | 1.3 | 112 | A73 | A73-R75 PolarHBondContact O-N 2.79Å; A73-R75 VanDerWaalsContact O-N 3.14Å; A73-R75 VanDerWaalsContact C-N 3.32Å |
| 76 | N | 55.5 | Low | 56.6 | Low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | cis | -162.4 | 122.6 | 10.1 | -119.3 | -17.5 | 0 | 0 | 0 | 104.3 | | |
| 77 | D | 54.8 | Low | 56 | Low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | | | trans | -137.5 | 110 | 150.9 | -127.4 | -17.8 | 0 | 0 | 0 | 106 | K79 | D77-K79 PolarHBondContact O-N 3.32Š|
| 78 | G | 58.2 | Low | 55.6 | Low | 79 Ų | 79 | 138.8 Ų | 138.8 | 81% | 0.814 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -70.2 | 51.9 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 79 | K | 63.3 | Low | 55.3 | Low | 203 Ų | 203 | 141.4 Ų | 141.4 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -137.4 | 52.3 | 173.5 | -63.9 | -167.9 | -177.2 | -179.3 | 0 | 110.5 | D77 | D77-K79 PolarHBondContact O-N 3.32Š|
| 80 | R | 62.1 | Low | 55.3 | Low | 210 Ų | 210 | 141 Ų | 141 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | | | trans | -134.3 | 96 | 158.8 | -77.1 | -173.5 | 160.2 | -125.2 | -2.5 | 109.8 | | |
| 81 | H | 50.5 | Low | 55.1 | Low | 175 Ų | 175 | 140.5 Ų | 140.5 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | | | trans | -124.3 | 81.4 | 139.3 | -73.4 | -63.5 | 0 | 0 | 0 | 108.4 | S83 | H81-S83 PolarHBondContact O-N 2.72Š|
| 82 | P | 63.1 | Low | 55 | Low | 107 Ų | 107 | 144.9 Ų | 144.9 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | | | trans | -72.1 | 73.9 | 156.4 | 33.2 | -30.9 | 0 | 0 | 0 | 107.8 | | |
| 83 | S | 55.9 | Low | 55 | Low | 78 Ų | 78 | 140.8 Ų | 140.8 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | | | trans | 163.6 | 70.1 | 166 | 57.9 | 0 | 0 | 0 | 0 | 108.3 | H81 S85 | H81-S83 PolarHBondContact O-N 2.72Å; S83-S85 PolarHBondContact O-N 3.14Å |
| 84 | K | 48.3 | Very low | 54.8 | Low | 206 Ų | 206 | 141.9 Ų | 141.9 | 90% | 0.896 | 69% | 0.689 | S | S | * | * | | | | -67.1 | 90.2 | 128.9 | -76.8 | -172.8 | -179.6 | -177.9 | 0 | 103.2 | R86 | K84-R86 PolarHBondContact O-N 2.7Š|
| 85 | S | 51.3 | Low | 54.3 | Low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | | | trans | -39.9 | 114.6 | 160.4 | -57.1 | 0 | 0 | 0 | 0 | 104.8 | S83 S87 | S83-S85 PolarHBondContact O-N 3.14Å; S85-S87 PolarHBondContact O-N 3Å |
| 86 | R | 53.4 | Low | 53.9 | Low | 195 Ų | 195 | 142 Ų | 142 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | | | trans | -29.1 | 109.5 | 160 | 172.4 | 175.2 | 162 | 167.8 | -5.4 | 106 | K84 S88 D91 | K84-R86 PolarHBondContact O-N 2.7Å; R86-S88 PolarHBondContact O-N 2.92Å; R86-D91 IonicContact NH2-OD2 2.79Å; R86-D91 PolarHBondContact NH2-OD2 2.71Å; R86-D91 IonicContact NE-OD2 3.32Å; R86-D91 IonicContact CZ-OD2 3.45Å; R86-D91 PolarHBondContact NE-OD2 2.86Å |
| 87 | S | 45.7 | Very low | 53.9 | Low | 58 Ų | 58 | 140.5 Ų | 140.5 | 41% | 0.406 | 68% | 0.681 | S | S | . | * | | | trans | -55.4 | 94.6 | 169.5 | 30.8 | 0 | 0 | 0 | 0 | 104.7 | S85 R89 D90 | S85-S87 PolarHBondContact O-N 3Å; S87-R89 PolarHBondContact O-N 3.14Å; S87-D90 WeakPolarHBondContact CB-OD2 3.47Å; S87-D90 PolarHBondContact O-N 2.61Å; S87-D90 PolarHBondContact OG-OD2 2.93Å |
| 88 | S | 51 | Low | 53.8 | Low | 85 Ų | 85 | 142.7 Ų | 142.7 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 6.5 | 167.8 | 57.5 | 0 | 0 | 0 | 0 | 111.4 | R86 | R86-S88 PolarHBondContact O-N 2.92Š|
| 89 | R | 51 | Low | 53.7 | Low | 207 Ų | 207 | 145.5 Ų | 145.5 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -29.7 | 163.6 | -98.1 | 178.4 | 171.1 | 155.3 | -1.4 | 113.8 | S87 D91 R92 | S87-R89 PolarHBondContact O-N 3.14Å; R89-D91 PolarHBondContact O-N 2.91Å; R89-R92 PolarHBondContact O-N 3.36Å |
| 90 | D | 54.2 | Low | 53.2 | Low | 82 Ų | 82 | 145.7 Ų | 145.7 | 44% | 0.439 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -77.2 | -19.4 | -179.8 | -76.2 | -32 | 0 | 0 | 0 | 113.3 | S87 R92 H94 | S87-D90 WeakPolarHBondContact CB-OD2 3.47Å; S87-D90 PolarHBondContact O-N 2.61Å; S87-D90 PolarHBondContact OG-OD2 2.93Å; D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 3.07Å; D90-H94 PolarHBondContact O-CD2 3.07Å |
| 91 | D | 53 | Low | 52.9 | Low | 81 Ų | 81 | 143 Ų | 143 | 43% | 0.433 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -80.2 | -10.1 | 176.9 | -72 | -28.2 | 0 | 0 | 0 | 113.3 | R86 R89 | R86-D91 IonicContact NH2-OD2 2.79Å; R86-D91 PolarHBondContact NH2-OD2 2.71Å; R86-D91 IonicContact NE-OD2 3.32Å; R86-D91 IonicContact CZ-OD2 3.45Å; R86-D91 PolarHBondContact NE-OD2 2.86Å; R89-D91 PolarHBondContact O-N 2.91Å |
| 92 | R | 50.7 | Low | 53 | Low | 187 Ų | 187 | 145.8 Ų | 145.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -99.7 | -30.8 | 178.1 | -66.6 | -165.2 | -133.2 | 179.7 | 2.9 | 114.2 | R89 D90 R95 | R89-R92 PolarHBondContact O-N 3.36Å; D90-R92 VanDerWaalsContact C-N 3.31Å; D90-R92 PolarHBondContact O-N 3.07Å; R92-R95 PolarHBondContact O-N 3.46Å |
| 93 | D | 53.4 | Low | 52.6 | Low | 95 Ų | 95 | 152 Ų | 152 | 51% | 0.508 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -75.5 | -33.1 | 179.6 | -77.6 | -15.1 | 0 | 0 | 0 | 111.8 | R95 R96 | D93-R95 PolarHBondContact O-N 3.47Å; D93-R96 PolarHBondContact O-N 3.48Å |
| 94 | H | 52.5 | Low | 52.5 | Low | 120 Ų | 120 | 159.3 Ų | 159.3 | 56% | 0.556 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -2.2 | 174.8 | -65.6 | -39.1 | 0 | 0 | 0 | 115.6 | D90 | D90-H94 PolarHBondContact O-CD2 3.07Š|
| 95 | R | 51.6 | Low | 53 | Low | 210 Ų | 210 | 153.3 Ų | 153.3 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -16.7 | 169.5 | -65.9 | -168 | -171.8 | -167.1 | 1.4 | 113.4 | R92 D93 | R92-R95 PolarHBondContact O-N 3.46Å; D93-R95 PolarHBondContact O-N 3.47Å |
| 96 | R | 52.1 | Low | 53.3 | Low | 197 Ų | 197 | 154.4 Ų | 154.4 | 74% | 0.743 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -22.7 | 175.7 | -73.2 | -172.3 | -169.9 | -166.5 | 3 | 113.4 | D93 | D93-R96 PolarHBondContact O-N 3.48Š|
| 97 | D | 55.3 | Low | 53.4 | Low | 116 Ų | 116 | 149.8 Ų | 149.8 | 62% | 0.62 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -3.5 | -176.3 | -62.3 | -22.9 | 0 | 0 | 0 | 113.9 | | |
| 98 | R | 53.3 | Low | 53.8 | Low | 206 Ų | 206 | 157.7 Ų | 157.7 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -7.4 | -177.4 | -149.8 | 176.6 | -81.5 | 177.4 | -5.8 | 114.3 | | |
| 99 | D | 56.7 | Low | 53.9 | Low | 138 Ų | 138 | 163.9 Ų | 163.9 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -109.1 | 2.3 | -175.1 | -69.7 | -23.8 | 0 | 0 | 0 | 115.2 | | |
| 100 | Y | 51.4 | Low | 54.1 | Low | 208 Ų | 208 | 161.7 Ų | 161.7 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -102.8 | 9.7 | 178.6 | -76.7 | -75.2 | 0 | 0 | 0 | 115.6 | R102 | Y100-R102 PolarHBondContact O-N 3.49Š|
| 101 | D | 56.9 | Low | 54.2 | Low | 152 Ų | 152 | 164.2 Ų | 164.2 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 43.4 | -175 | -141.7 | 11.1 | 0 | 0 | 0 | 113.9 | | |
| 102 | R | 52.3 | Low | 54.4 | Low | 235 Ų | 235 | 167.9 Ų | 167.9 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | -12.5 | 172.5 | -69.1 | -165.2 | -165.6 | -174.4 | 7.6 | 118.6 | Y100 | Y100-R102 PolarHBondContact O-N 3.49Š|
| 103 | R | 54.7 | Low | 54.4 | Low | 236 Ų | 236 | 166.2 Ų | 166.2 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -148.4 | 14.3 | -173.2 | -62.7 | -169.7 | -158.2 | -123.3 | 4.2 | 120.2 | | |
| 104 | R | 55 | Low | 54.8 | Low | 233 Ų | 233 | 165.2 Ų | 165.2 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | -147.3 | 60.8 | 168.3 | -68.1 | -168.6 | -144.6 | -135 | 2.8 | 112.8 | | |
| 105 | G | 58.4 | Low | 55 | Low | 79 Ų | 79 | 164.3 Ų | 164.3 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | | | trans | -71.9 | 131.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 106 | D | 58 | Low | 55.4 | Low | 122 Ų | 122 | 159.8 Ų | 159.8 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | | | trans | 87.8 | 69 | 165.2 | -148.7 | 19.9 | 0 | 0 | 0 | 118.4 | R109 | D106-R109 IonicContact OD2-NE 3.98Š|
| 107 | D | 55.2 | Low | 55.8 | Low | 98 Ų | 98 | 160.2 Ų | 160.2 | 52% | 0.524 | 74% | 0.738 | S | S | . | * | | | trans | -133.1 | 16.6 | 161.2 | -138.8 | -0.8 | 0 | 0 | 0 | 113.4 | R109 R110 | D107-R109 PolarHBondContact O-N 3.12Å; D107-R110 VanDerWaalsContact OD2-NH2 3.12Å; D107-R110 IonicContact OD1-NH2 3.46Å; D107-R110 PolarHBondContact OD2-NH2 3.27Å; D107-R110 IonicContact OD2-NH2 3.12Å; D107-R110 PolarHBondContact OD1-NH2 3.2Å; D107-R110 IonicContact OD1-NE 3.95Å |
| 108 | R | 52.4 | Low | 55.9 | Low | 225 Ų | 225 | 163.5 Ų | 163.5 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -77 | 6.7 | 171.3 | -76.4 | -165.4 | -79.4 | 150.5 | -6.5 | 113.6 | R110 | R108-R110 PolarHBondContact O-N 3.46Š|
| 109 | R | 54.7 | Low | 56 | Low | 215 Ų | 215 | 164.6 Ų | 164.6 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -74.9 | 9.7 | 168.9 | -67.6 | -172.8 | 178.4 | -152.9 | -2 | 113.6 | D106 D107 | D106-R109 IonicContact OD2-NE 3.98Å; D107-R109 PolarHBondContact O-N 3.12Å |
| 110 | R | 54.7 | Low | 55.7 | Low | 161 Ų | 161 | 170.1 Ų | 170.1 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -99.5 | -0.8 | -177.1 | -138.7 | 177.6 | -75.6 | -142.6 | 2.6 | 114.3 | D107 R108 N112 | D107-R110 VanDerWaalsContact OD2-NH2 3.12Å; D107-R110 IonicContact OD1-NH2 3.46Å; D107-R110 PolarHBondContact OD2-NH2 3.27Å; D107-R110 IonicContact OD2-NH2 3.12Å; D107-R110 PolarHBondContact OD1-NH2 3.2Å; D107-R110 IonicContact OD1-NE 3.95Å; R108-R110 PolarHBondContact O-N 3.46Å; R110-N112 VanDerWaalsContact C-N 3.3Å; R110-N112 PolarHBondContact O-N 3.09Å |
| 111 | D | 56.8 | Low | 55.9 | Low | 134 Ų | 134 | 168.3 Ų | 168.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -79.1 | 80 | 166.4 | -63.8 | -22.8 | 0 | 0 | 0 | 109.2 | | |
| 112 | N | 56.4 | Low | 55.9 | Low | 158 Ų | 158 | 169.1 Ų | 169.1 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | 153.7 | 65.2 | 153.2 | -75.2 | -19.6 | 0 | 0 | 0 | 109.3 | R110 S114 | R110-N112 VanDerWaalsContact C-N 3.3Å; R110-N112 PolarHBondContact O-N 3.09Å; N112-S114 PolarHBondContact O-N 3.06Å; N112-S114 VanDerWaalsContact O-N 3.09Å |
| 113 | H | 51.7 | Low | 56.1 | Low | 153 Ų | 153 | 165.4 Ų | 165.4 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | | | trans | -41.1 | 114.5 | 140.5 | -72.1 | -5.9 | 0 | 0 | 0 | 109.5 | | |
| 114 | S | 61.1 | Low | 56.1 | Low | 73 Ų | 73 | 161.3 Ų | 161.3 | 51% | 0.51 | 75% | 0.746 | S | S | . | * | | | trans | 28 | 117.6 | 130.4 | 65.7 | 0 | 0 | 0 | 0 | 116.5 | N112 | N112-S114 PolarHBondContact O-N 3.06Å; N112-S114 VanDerWaalsContact O-N 3.09Å |
| 115 | H | 57.3 | Low | 56.2 | Low | 101 Ų | 101 | 156.8 Ų | 156.8 | 47% | 0.468 | 74% | 0.738 | S | S | . | * | | | | 162.8 | 117.5 | 120 | -72.5 | -15.5 | 0 | 0 | 0 | 112.8 | R118 | H115-R118 HydrophobicContact CB-CB 4.27Å; H115-R118 VanDerWaalsContact CE1-CD 3.4Å; H115-R118 WeakPolarHBondContact CE1-CD 3.39Å; H115-R118 VanDerWaalsContact CG-CB 3.43Å; H115-R118 WeakPolarHBondContact ND1-CB 3.4Å; H115-R118 WeakPolarHBondContact NE2-CD 3.23Å; H115-R118 PolarHBondContact NE2-NH1 2.91Å |
| 116 | P | 59.8 | Low | 56.1 | Low | 116 Ų | 116 | 162 Ų | 162 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -122.9 | -3.3 | 136.5 | 33.8 | -27.4 | 0 | 0 | 0 | 113.8 | | |
| 117 | Y | 58.9 | Low | 55.9 | Low | 206 Ų | 206 | 164.9 Ų | 164.9 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | -125.6 | 25.9 | 179.8 | -59.9 | -69.1 | 0 | 0 | 0 | 114.3 | R119 | Y117-R119 PolarHBondContact O-N 2.99Š|
| 118 | R | 58.4 | Low | 56 | Low | 185 Ų | 185 | 170 Ų | 170 | 70% | 0.698 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -80.2 | 79.3 | 168.7 | -144.6 | -158.8 | -146.3 | 153.4 | -4.9 | 109.9 | H115 | H115-R118 HydrophobicContact CB-CB 4.27Å; H115-R118 VanDerWaalsContact CE1-CD 3.4Å; H115-R118 WeakPolarHBondContact CE1-CD 3.39Å; H115-R118 VanDerWaalsContact CG-CB 3.43Å; H115-R118 WeakPolarHBondContact ND1-CB 3.4Å; H115-R118 WeakPolarHBondContact NE2-CD 3.23Å; H115-R118 PolarHBondContact NE2-NH1 2.91Å |
| 119 | R | 56.3 | Low | 56.3 | Low | 229 Ų | 229 | 165.4 Ų | 165.4 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | 79.2 | 103 | 158.7 | -57.8 | -176 | 172.9 | -155.5 | -4.1 | 116.6 | Y117 | Y117-R119 PolarHBondContact O-N 2.99Š|
| 120 | H | 49.2 | Very low | 56.4 | Low | 254 Ų | 254 | 160.9 Ų | 160.9 | 100% | 1.176 | 74% | 0.741 | S | S | * | * | | | trans | -61 | 0 | 138.9 | -72.2 | -71 | 0 | 0 | 0 | 109.9 | | |