| 1 | M | 35.6 | Very low | 36.5 | Very low | 237 Ų | 237 | 160.9 Ų | 160.9 | 100% | 1.167 | 80% | 0.796 | S | S | * | * | | | | 0 | 140.2 | 0 | -88.2 | 168.1 | 64.3 | 0 | 0 | 108.3 | | |
| 2 | I | 38.2 | Very low | 36.2 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | | | trans | 83.3 | 82.4 | -176 | -43.1 | 173.7 | 0 | 0 | 0 | 113.3 | | |
| 3 | Q | 36.4 | Very low | 36.3 | Very low | 180 Ų | 180 | 159.6 Ų | 159.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83 | 134 | 165.5 | -136.5 | 173.1 | 6.6 | 0 | 0 | 107.8 | H5 | Q3-H5 PolarHBondContact O-N 3.32Š|
| 4 | P | 41.6 | Very low | 36.1 | Very low | 121 Ų | 121 | 157.9 Ų | 157.9 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 121.5 | 178.1 | 27.9 | -29.6 | 0 | 0 | 0 | 110.3 | Q6 | P4-Q6 PolarHBondContact O-N 3.11Š|
| 5 | H | 35.6 | Very low | 36.1 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.8 | 177.5 | -96.4 | -93.1 | 0 | 0 | 0 | 111.9 | Q3 I7 | Q3-H5 PolarHBondContact O-N 3.32Å; H5-I7 HydrophobicContact CB-CG1 4.28Å |
| 6 | Q | 37.8 | Very low | 36 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 121.6 | 152.4 | -69.2 | -170.6 | -17.6 | 0 | 0 | 107.4 | P4 | P4-Q6 PolarHBondContact O-N 3.11Š|
| 7 | I | 36.8 | Very low | 35.6 | Very low | 123 Ų | 123 | 159.6 Ų | 159.6 | 63% | 0.631 | 80% | 0.802 | S | S | * | * | | | trans | -114 | 101.5 | 169 | -63.6 | 172.8 | 0 | 0 | 0 | 105.6 | H5 | H5-I7 HydrophobicContact CB-CG1 4.28Š|
| 8 | E | 34.5 | Very low | 35.5 | Very low | 158 Ų | 158 | 162.5 Ų | 162.5 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | | | trans | -66.9 | 119.1 | 161.8 | -77.6 | 175.7 | 148.8 | 0 | 0 | 108.3 | | |
| 9 | H | 33.6 | Very low | 35.2 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | -106.2 | 94.5 | 161 | -92.9 | -77.8 | 0 | 0 | 0 | 108.2 | | |
| 10 | H | 35 | Very low | 34.7 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | | | trans | -88.3 | 98.3 | 161 | -78.8 | -71.9 | 0 | 0 | 0 | 108.3 | | |
| 11 | D | 35.9 | Very low | 34.6 | Very low | 130 Ų | 130 | 160.6 Ų | 160.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | -119.5 | 88.4 | 163.1 | -83 | -44.8 | 0 | 0 | 0 | 109.4 | Q13 | D11-Q13 PolarHBondContact O-N 3.04Š|
| 12 | N | 33.3 | Very low | 34.5 | Very low | 145 Ų | 145 | 154 Ų | 154 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | trans | -69.3 | 100.1 | 163.9 | -73.7 | -39.3 | 0 | 0 | 0 | 108.6 | | |
| 13 | Q | 37.2 | Very low | 34.3 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -109.5 | 87.9 | 162.5 | -73.7 | -170.4 | 20.6 | 0 | 0 | 110.2 | D11 L15 | D11-Q13 PolarHBondContact O-N 3.04Å; Q13-L15 PolarHBondContact O-N 3.42Å |
| 14 | T | 33.8 | Very low | 34.1 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | | | trans | -63.9 | 102.6 | 158.2 | 39.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 15 | L | 36.1 | Very low | 33.5 | Very low | 158 Ų | 158 | 154.3 Ų | 154.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -96.3 | 114 | 167.4 | -83.2 | 162.8 | 0 | 0 | 0 | 109.6 | Q13 | Q13-L15 PolarHBondContact O-N 3.42Š|
| 16 | S | 34.1 | Very low | 33.3 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -59.5 | 133.5 | -176 | -73 | 0 | 0 | 0 | 0 | 114.2 | K18 | S16-K18 PolarHBondContact O-N 3.01Š|
| 17 | Y | 29.9 | Very low | 32.7 | Very low | 231 Ų | 231 | 152.6 Ų | 152.6 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | | | trans | -55.2 | 115.1 | 162.8 | -126.9 | -105.8 | 0 | 0 | 0 | 110.2 | | |
| 18 | K | 34 | Very low | 32.4 | Very low | 212 Ų | 212 | 152 Ų | 152 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | | | trans | -93.5 | 112.5 | 163.8 | -86.3 | -173 | 176.1 | -178.4 | 0 | 108.6 | S16 | S16-K18 PolarHBondContact O-N 3.01Š|
| 19 | S | 28.9 | Very low | 32.1 | Very low | 85 Ų | 85 | 154 Ų | 154 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | | | trans | -97.5 | 143.1 | 176 | 83.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 20 | F | 26.5 | Very low | 32 | Very low | 188 Ų | 188 | 151.8 Ų | 151.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | 61.4 | 114 | 156.5 | -62.8 | -73 | 0 | 0 | 0 | 119.8 | | |
| 21 | Q | 32.4 | Very low | 31.6 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -147.8 | 95.5 | 135.3 | -144.2 | 160.8 | 4.1 | 0 | 0 | 109.5 | N23 | Q21-N23 PolarHBondContact O-N 3.24Š|
| 22 | S | 33 | Very low | 31.5 | Very low | 98 Ų | 98 | 152.8 Ų | 152.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | -76.5 | 101.9 | 167.2 | 41 | 0 | 0 | 0 | 0 | 108.2 | | |
| 23 | N | 33.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 66% | 0.663 | 81% | 0.808 | S | S | * | * | | | trans | -90.4 | 100.3 | 170.8 | -73.5 | -21.8 | 0 | 0 | 0 | 108.6 | Q21 F25 | Q21-N23 PolarHBondContact O-N 3.24Å; N23-F25 PolarHBondContact O-N 3.15Å |
| 24 | D | 31.6 | Very low | 30.9 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | -65.2 | 109.4 | 160.4 | -68.2 | -45.3 | 0 | 0 | 0 | 108.1 | | |
| 25 | F | 28.7 | Very low | 30.7 | Very low | 198 Ų | 198 | 150.8 Ų | 150.8 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | | | trans | -119.4 | 131.9 | 168 | -117.1 | -92.5 | 0 | 0 | 0 | 111.1 | N23 | N23-F25 PolarHBondContact O-N 3.15Š|
| 26 | Q | 31.6 | Very low | 30.4 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 150.1 | -157.7 | -63 | 178.4 | -1.6 | 0 | 0 | 113.6 | S28 | Q26-S28 PolarHBondContact O-N 3.45Š|
| 27 | V | 25.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -69.4 | 101.6 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | K29 | V27-K29 PolarHBondContact O-N 3.27Š|
| 28 | S | 30.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -85.2 | 101.8 | 167 | 48.6 | 0 | 0 | 0 | 0 | 110.2 | Q26 S30 | Q26-S28 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact O-N 3.38Å |
| 29 | K | 29 | Very low | 29.9 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -73.3 | 99.6 | 159.8 | -83.3 | 178.3 | 174.4 | 176.3 | 0 | 108.1 | V27 | V27-K29 PolarHBondContact O-N 3.27Š|
| 30 | S | 31.2 | Very low | 30 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -110.4 | 110 | 164.5 | 71.5 | 0 | 0 | 0 | 0 | 110.2 | S28 | S28-S30 PolarHBondContact O-N 3.38Š|
| 31 | L | 26.6 | Very low | 30.3 | Very low | 170 Ų | 170 | 143.5 Ų | 143.5 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -74.5 | 112.6 | 169 | -169.1 | 115.3 | 0 | 0 | 0 | 108.4 | | |
| 32 | V | 32.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -150.3 | 113.4 | 152.6 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | S34 | V32-S34 PolarHBondContact O-N 3.2Š|
| 33 | E | 27.4 | Very low | 30.2 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | | | trans | -73.5 | 109.9 | 166.2 | -167.4 | 160.5 | -157.8 | 0 | 0 | 107.7 | | |
| 34 | S | 31.8 | Very low | 30.1 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | -143.9 | 116.1 | 173.9 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | V32 | V32-S34 PolarHBondContact O-N 3.2Š|
| 35 | S | 29 | Very low | 30.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 62.6 | 98.2 | 146.2 | -152.3 | 0 | 0 | 0 | 0 | 118.5 | N37 | S35-N37 PolarHBondContact O-N 3.32Š|
| 36 | I | 29.8 | Very low | 30.6 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -30.7 | 111.5 | 137.2 | -45.3 | 161.7 | 0 | 0 | 0 | 109.8 | | |
| 37 | N | 32.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -155.3 | 134.7 | 151.9 | -105.3 | -18.6 | 0 | 0 | 0 | 109.7 | S35 | S35-N37 PolarHBondContact O-N 3.32Š|
| 38 | G | 26.6 | Very low | 31.4 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -73.2 | 178.5 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 39 | Q | 27.6 | Very low | 31.8 | Very low | 192 Ų | 192 | 140.7 Ų | 140.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | 71.4 | 82.9 | 163.3 | -56.7 | -177.8 | 3.6 | 0 | 0 | 116.4 | | |
| 40 | V | 30.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | -136.6 | 100.2 | 149.1 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 41 | T | 32.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | | | trans | 39.3 | 111.8 | 134.2 | -35.4 | 0 | 0 | 0 | 0 | 118.2 | V43 | T41-V43 PolarHBondContact O-N 3.05Š|
| 42 | H | 30.3 | Very low | 33.6 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | | | trans | -43.8 | 107.4 | 164.7 | -132.1 | -97 | 0 | 0 | 0 | 111 | S44 | H42-S44 PolarHBondContact O-N 2.96Š|
| 43 | V | 32.9 | Very low | 34.2 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -72.1 | 113 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | T41 I45 | T41-V43 PolarHBondContact O-N 3.05Å; V43-I45 PolarHBondContact O-N 2.69Å |
| 44 | S | 31.7 | Very low | 34.8 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -57.4 | 104.1 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | H42 D46 | H42-S44 PolarHBondContact O-N 2.96Å; S44-D46 PolarHBondContact O-N 3.22Å |
| 45 | I | 37 | Very low | 35.1 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | -68 | 104.8 | 172.4 | -64.1 | 169.8 | 0 | 0 | 0 | 106.1 | V43 Q47 | V43-I45 PolarHBondContact O-N 2.69Å; I45-Q47 PolarHBondContact O-N 3.08Å |
| 46 | D | 34.6 | Very low | 35.6 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -44 | 124.3 | 173.1 | -77.9 | -44.3 | 0 | 0 | 0 | 109.9 | S44 T48 | S44-D46 PolarHBondContact O-N 3.22Å; D46-T48 PolarHBondContact O-N 2.88Å |
| 47 | Q | 36.9 | Very low | 36.1 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 90 | 170 | -68.2 | -179.9 | 21.5 | 0 | 0 | 107.4 | I45 S49 | I45-Q47 PolarHBondContact O-N 3.08Å; Q47-S49 PolarHBondContact O-N 3Å |
| 48 | T | 37.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | trans | -55 | 107.6 | 168.9 | 51.9 | 0 | 0 | 0 | 0 | 106.9 | D46 K50 | D46-T48 PolarHBondContact O-N 2.88Å; T48-K50 PolarHBondContact O-N 2.75Å |
| 49 | S | 39.3 | Very low | 37.3 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -35.1 | 103.6 | 174.2 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | Q47 K51 | Q47-S49 PolarHBondContact O-N 3Å; S49-K51 PolarHBondContact O-N 2.86Å |
| 50 | K | 40.6 | Very low | 37.9 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -66 | 92.4 | 167.8 | -75.4 | -178.8 | 179.6 | 174.5 | 0 | 106.3 | T48 P52 | T48-K50 PolarHBondContact O-N 2.75Å; K50-P52 WeakPolarHBondContact O-CD 3.22Å; K50-P52 VanDerWaalsContact O-N 3.09Å |
| 51 | K | 40.3 | Very low | 38.7 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -47.1 | 119.1 | 167.8 | -76.9 | -179.6 | 177.2 | 176.3 | 0 | 107.1 | S49 S53 | S49-K51 PolarHBondContact O-N 2.86Å; K51-S53 PolarHBondContact O-N 2.87Å; K51-S53 VanDerWaalsContact O-N 3.09Å |
| 52 | P | 43.7 | Very low | 39.3 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -58.9 | 121.4 | -178.2 | 21.8 | -30.7 | 0 | 0 | 0 | 107.6 | K50 G54 | K50-P52 WeakPolarHBondContact O-CD 3.22Å; K50-P52 VanDerWaalsContact O-N 3.09Å; P52-G54 PolarHBondContact O-N 3.03Å |
| 53 | S | 45.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -59.2 | 112.2 | 177.4 | 81.8 | 0 | 0 | 0 | 0 | 107 | K51 R55 | K51-S53 PolarHBondContact O-N 2.87Å; K51-S53 VanDerWaalsContact O-N 3.09Å; S53-R55 PolarHBondContact O-N 2.93Å |
| 54 | G | 39.8 | Very low | 40.8 | Very low | 76 Ų | 76 | 151.4 Ų | 151.4 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -66.8 | 70.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P52 S56 | P52-G54 PolarHBondContact O-N 3.03Å; G54-S56 PolarHBondContact O-N 3.29Å; G54-S56 VanDerWaalsContact O-N 3.12Å |
| 55 | R | 37.9 | Very low | 41.6 | Very low | 209 Ų | 209 | 154 Ų | 154 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -79.4 | 85.3 | 159.6 | -81.5 | -173.3 | -176.7 | -151.6 | 0.6 | 106.1 | S53 W57 | S53-R55 PolarHBondContact O-N 2.93Å; R55-W57 PolarHBondContact O-N 3.16Å |
| 56 | S | 39.2 | Very low | 41.7 | Very low | 113 Ų | 113 | 148.9 Ų | 148.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -55 | 104.5 | 159.4 | 31.8 | 0 | 0 | 0 | 0 | 107.1 | G54 A58 | G54-S56 PolarHBondContact O-N 3.29Å; G54-S56 VanDerWaalsContact O-N 3.12Å; S56-A58 PolarHBondContact O-N 3.01Å |
| 57 | W | 40.9 | Very low | 42.3 | Very low | 240 Ų | 240 | 148.7 Ų | 148.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -58.6 | 108 | 166.8 | -74.9 | 69.6 | 0 | 0 | 0 | 106 | R55 R59 | R55-W57 PolarHBondContact O-N 3.16Å; W57-R59 VanDerWaalsContact C-N 3.29Å; W57-R59 PolarHBondContact O-N 2.83Å |
| 58 | A | 43.8 | Very low | 42.6 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -57.2 | 99.3 | 172 | 0 | 0 | 0 | 0 | 0 | 106.9 | S56 S60 | S56-A58 PolarHBondContact O-N 3.01Å; A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.03Å |
| 59 | R | 40.6 | Very low | 43 | Very low | 237 Ų | 237 | 148.8 Ų | 148.8 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | | | trans | -57.3 | 103.6 | 170.7 | -85.1 | 172.6 | 75.9 | -176.5 | 4.5 | 105.5 | W57 K61 | W57-R59 VanDerWaalsContact C-N 3.29Å; W57-R59 PolarHBondContact O-N 2.83Å; R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.87Å |
| 60 | S | 40.8 | Very low | 43.2 | Very low | 107 Ų | 107 | 155 Ų | 155 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -56.3 | 100.9 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 106.4 | A58 R62 | A58-S60 VanDerWaalsContact C-N 3.32Å; A58-S60 PolarHBondContact O-N 3.03Å; S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 2.98Å |
| 61 | K | 47.3 | Very low | 43.5 | Very low | 192 Ų | 192 | 152 Ų | 152 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -61 | 99.3 | 169.3 | -96.3 | -178.9 | 174.1 | 177.4 | 0 | 104.7 | R59 I63 | R59-K61 VanDerWaalsContact C-N 3.3Å; R59-K61 PolarHBondContact O-N 2.87Å; K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.32Å |
| 62 | R | 45.7 | Very low | 43.7 | Very low | 236 Ų | 236 | 148.4 Ų | 148.4 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | | | trans | -56.6 | 103.7 | 164.8 | -75.1 | -174.8 | 172.1 | -147.9 | -1.1 | 105.5 | S60 S64 | S60-R62 VanDerWaalsContact C-N 3.27Å; S60-R62 PolarHBondContact O-N 2.98Å; R62-S64 PolarHBondContact O-N 3.49Å |
| 63 | I | 45.6 | Very low | 43.4 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -60.9 | 108.3 | 170.5 | -38.7 | 171.5 | 0 | 0 | 0 | 103.4 | K61 L65 | K61-I63 VanDerWaalsContact C-N 3.3Å; K61-I63 PolarHBondContact O-N 3.32Å; I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 2.66Å |
| 64 | S | 49.4 | Very low | 43 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -63.4 | 102.7 | 168.6 | 59.7 | 0 | 0 | 0 | 0 | 104.7 | R62 G66 | R62-S64 PolarHBondContact O-N 3.49Å; S64-G66 PolarHBondContact O-N 3.13Å |
| 65 | L | 48 | Very low | 43.1 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -60.6 | 93.8 | 159.2 | -72.1 | 164.9 | 0 | 0 | 0 | 103.8 | I63 C67 | I63-L65 VanDerWaalsContact C-N 3.28Å; I63-L65 PolarHBondContact O-N 2.66Å; L65-C67 PolarHBondContact O-N 3.11Å |
| 66 | G | 39.3 | Very low | 43.2 | Very low | 48 Ų | 48 | 152 Ų | 152 | 50% | 0.495 | 77% | 0.774 | S | S | . | * | | | trans | -49.5 | 132.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | S64 F68 | S64-G66 PolarHBondContact O-N 3.13Å; G66-F68 PolarHBondContact O-N 3.08Å |
| 67 | C | 46.6 | Very low | 43.1 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -48.1 | 109.1 | 177.1 | -58.9 | 0 | 0 | 0 | 0 | 107 | L65 E69 | L65-C67 PolarHBondContact O-N 3.11Å; C67-E69 PolarHBondContact O-N 3.11Å |
| 68 | F | 42.5 | Very low | 42.7 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | trans | -66.1 | 95.1 | 169.5 | -92.8 | -93.6 | 0 | 0 | 0 | 104.9 | G66 W70 | G66-F68 PolarHBondContact O-N 3.08Å; F68-W70 VanDerWaalsContact O-CD1 3.27Å; F68-W70 PolarHBondContact O-N 3.07Å |
| 69 | E | 47.8 | Very low | 42.3 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | -66.6 | 103.4 | 172.4 | -170.8 | 169.5 | 174.7 | 0 | 0 | 106.4 | C67 H71 | C67-E69 PolarHBondContact O-N 3.11Å; E69-H71 PolarHBondContact O-CD2 3.06Å; E69-H71 VanDerWaalsContact O-CD2 3.31Å; E69-H71 PolarHBondContact O-N 3.38Å; E69-H71 IonicContact OE1-CE1 3.55Å; E69-H71 IonicContact OE2-NE2 3.96Å |
| 70 | W | 43.1 | Very low | 42 | Very low | 232 Ų | 232 | 149.8 Ų | 149.8 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -70.6 | 90 | 171.7 | -71 | 89.6 | 0 | 0 | 0 | 107.2 | F68 S72 | F68-W70 VanDerWaalsContact O-CD1 3.27Å; F68-W70 PolarHBondContact O-N 3.07Å; W70-S72 PolarHBondContact O-N 2.75Å |
| 71 | H | 45.6 | Very low | 41.8 | Very low | 141 Ų | 141 | 152.7 Ų | 152.7 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | | | trans | -66.2 | 93.7 | 161.5 | -61.2 | -90 | 0 | 0 | 0 | 106.5 | E69 R73 | E69-H71 PolarHBondContact O-CD2 3.06Å; E69-H71 VanDerWaalsContact O-CD2 3.31Å; E69-H71 PolarHBondContact O-N 3.38Å; E69-H71 IonicContact OE1-CE1 3.55Å; E69-H71 IonicContact OE2-NE2 3.96Å; H71-R73 PolarHBondContact O-N 3.26Å |
| 72 | S | 44.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -56.4 | 110.3 | 158.6 | 45.3 | 0 | 0 | 0 | 0 | 105.3 | W70 G74 | W70-S72 PolarHBondContact O-N 2.75Å; S72-G74 PolarHBondContact O-N 2.91Å |
| 73 | R | 38 | Very low | 39.9 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | -57.2 | 98.6 | 171.2 | -76.2 | -179.1 | 172.6 | 162.3 | -3.5 | 106 | H71 | H71-R73 PolarHBondContact O-N 3.26Š|
| 74 | G | 35.9 | Very low | 39.1 | Very low | 48 Ų | 48 | 138 Ų | 138 | 50% | 0.495 | 74% | 0.744 | S | S | . | * | | | trans | -53.3 | 149.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S72 F76 | S72-G74 PolarHBondContact O-N 2.91Å; G74-F76 PolarHBondContact O-N 2.86Å; G74-F76 VanDerWaalsContact O-N 3.09Å |
| 75 | P | 42.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -51.8 | 124.1 | -179.2 | 21.7 | -31.6 | 0 | 0 | 0 | 108.4 | R77 | P75-R77 PolarHBondContact O-N 2.75Š|
| 76 | F | 38.9 | Very low | 37.2 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | | | trans | -45.4 | 113.3 | 176.9 | -91.8 | -100.5 | 0 | 0 | 0 | 108.1 | G74 Q78 | G74-F76 PolarHBondContact O-N 2.86Å; G74-F76 VanDerWaalsContact O-N 3.09Å; F76-Q78 PolarHBondContact O-N 3.18Å |
| 77 | R | 37.3 | Very low | 36.7 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -68.3 | 93.6 | 159.9 | -71 | -167.4 | -179.7 | -108.3 | 2.8 | 104.7 | P75 T79 | P75-R77 PolarHBondContact O-N 2.75Å; R77-T79 PolarHBondContact O-N 2.92Å |
| 78 | Q | 33.9 | Very low | 36 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -70 | 85.7 | 165.8 | -170 | 165.2 | 17 | 0 | 0 | 106.6 | F76 D80 | F76-Q78 PolarHBondContact O-N 3.18Å; Q78-D80 HydrophobicContact CG-CB 4.28Å; Q78-D80 PolarHBondContact O-N 2.86Å |
| 79 | T | 33.9 | Very low | 35.3 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -73.3 | 73.1 | 162.6 | 34.1 | 0 | 0 | 0 | 0 | 107.8 | R77 | R77-T79 PolarHBondContact O-N 2.92Š|
| 80 | D | 35 | Very low | 34.5 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -151.3 | 62.8 | 168.5 | -71.1 | -51.1 | 0 | 0 | 0 | 108.4 | Q78 | Q78-D80 HydrophobicContact CG-CB 4.28Å; Q78-D80 PolarHBondContact O-N 2.86Å |
| 81 | I | 36.1 | Very low | 33.9 | Very low | 169 Ų | 169 | 142 Ų | 142 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | -109.3 | 98.6 | 158.9 | -62.8 | 175.5 | 0 | 0 | 0 | 105.9 | | |
| 82 | G | 25.6 | Very low | 33.1 | Very low | 61 Ų | 61 | 140.6 Ų | 140.6 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -49.3 | 142.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S84 | G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 2.87Å |
| 83 | S | 27.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -44 | 88.5 | 164.4 | 34.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 84 | S | 29.4 | Very low | 31.9 | Very low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | -94.6 | 92.7 | 158.6 | 177.9 | 0 | 0 | 0 | 0 | 108 | G82 R86 | G82-S84 VanDerWaalsContact C-N 3.35Å; G82-S84 PolarHBondContact O-N 2.87Å; S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 2.78Å |
| 85 | N | 27.1 | Very low | 31.6 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -53.5 | 94 | 166.5 | -67.2 | -37.2 | 0 | 0 | 0 | 109.8 | | |
| 86 | R | 30.8 | Very low | 31.1 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -128.2 | 83 | 158.4 | -73.1 | -165.2 | -178.5 | -150 | 1.3 | 108 | S84 N88 | S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 2.78Å; R86-N88 PolarHBondContact O-N 3.12Å; R86-N88 VanDerWaalsContact O-N 3.15Å |
| 87 | L | 27.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -50.7 | 111.1 | 152.1 | -72 | 161.2 | 0 | 0 | 0 | 106.9 | | |
| 88 | N | 31.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | -148.5 | 102.9 | 156.5 | -94.7 | -18 | 0 | 0 | 0 | 108.7 | R86 | R86-N88 PolarHBondContact O-N 3.12Å; R86-N88 VanDerWaalsContact O-N 3.15Å |
| 89 | S | 28.5 | Very low | 30.1 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | 35.6 | 109.9 | 144.5 | 61.6 | 0 | 0 | 0 | 0 | 118.2 | N91 | S89-N91 PolarHBondContact O-N 2.94Š|
| 90 | I | 30.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -52.9 | 112.4 | 154.3 | -62.6 | 153.3 | 0 | 0 | 0 | 108.3 | | |
| 91 | N | 29.8 | Very low | 29.6 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -99.7 | 110.5 | 159.1 | -88.4 | -23.2 | 0 | 0 | 0 | 108 | S89 T93 | S89-N91 PolarHBondContact O-N 2.94Å; N91-T93 PolarHBondContact O-N 2.87Å |
| 92 | P | 28.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | | | trans | -83.9 | 95.4 | 173.2 | 31.9 | -26.7 | 0 | 0 | 0 | 108.1 | | |
| 93 | T | 32.9 | Very low | 29.7 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -155.6 | 106.9 | 161.1 | -1.8 | 0 | 0 | 0 | 0 | 108.4 | N91 S95 | N91-T93 PolarHBondContact O-N 2.87Å; T93-S95 PolarHBondContact O-N 2.82Å |
| 94 | G | 26.5 | Very low | 30.1 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | trans | -61.6 | 115.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 95 | S | 28.9 | Very low | 30.3 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -154.4 | 104.2 | 157.5 | 176.5 | 0 | 0 | 0 | 0 | 106.5 | T93 H97 | T93-S95 PolarHBondContact O-N 2.82Å; S95-H97 PolarHBondContact O-N 3.05Å |
| 96 | H | 32.9 | Very low | 30.5 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -68.7 | 75 | 170.5 | -67 | -80.6 | 0 | 0 | 0 | 108.5 | W98 | H96-W98 PolarHBondContact O-N 3.25Š|
| 97 | H | 29.8 | Very low | 30.5 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -82.7 | 96.7 | 167.6 | -158 | 73.6 | 0 | 0 | 0 | 107.7 | S95 I99 | S95-H97 PolarHBondContact O-N 3.05Å; H97-I99 PolarHBondContact O-N 3.04Å |
| 98 | W | 25.1 | Very low | 30.7 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | | | trans | -64.6 | 98.5 | 172.5 | -168.9 | -86.5 | 0 | 0 | 0 | 108.1 | H96 V100 | H96-W98 PolarHBondContact O-N 3.25Å; W98-V100 PolarHBondContact O-N 2.75Å |
| 99 | I | 33.1 | Very low | 30.9 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 59% | 0.59 | 76% | 0.761 | S | S | * | * | | | trans | -69.4 | 102.7 | 171.6 | -62.2 | 173.4 | 0 | 0 | 0 | 106.3 | H97 H101 | H97-I99 PolarHBondContact O-N 3.04Å; I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 3.29Å |
| 100 | V | 26.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | | | trans | -63.1 | 97 | 166.1 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | W98 N102 | W98-V100 PolarHBondContact O-N 2.75Å; V100-N102 PolarHBondContact O-N 2.83Å; V100-N102 VanDerWaalsContact O-N 3.07Å |
| 101 | H | 32 | Very low | 31 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | -67.4 | 106.3 | 166 | -80.1 | -81.8 | 0 | 0 | 0 | 107.1 | I99 | I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H101 PolarHBondContact O-N 3.29Å |
| 102 | N | 29.3 | Very low | 31.1 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | trans | -51.5 | 141.3 | 168.3 | -91 | -18 | 0 | 0 | 0 | 109.9 | V100 E104 | V100-N102 PolarHBondContact O-N 2.83Å; V100-N102 VanDerWaalsContact O-N 3.07Å; N102-E104 PolarHBondContact O-N 3.24Å |
| 103 | E | 34.2 | Very low | 31.6 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | | | trans | -66 | 71.3 | 179.1 | -61.3 | -179.6 | 160.2 | 0 | 0 | 111 | | |
| 104 | E | 37.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | -101.4 | 106.8 | 170.3 | -71.8 | -173 | -171.8 | 0 | 0 | 109.9 | N102 | N102-E104 PolarHBondContact O-N 3.24Š|
| 105 | N | 33.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | | | trans | 57.3 | 63 | 146 | -57.7 | -34.5 | 0 | 0 | 0 | 116.9 | T107 | N105-T107 PolarHBondContact O-N 3.48Š|
| 106 | F | 31.6 | Very low | 33.2 | Very low | 207 Ų | 207 | 148.3 Ų | 148.3 | 91% | 0.908 | 74% | 0.742 | S | S | * | * | | | trans | -72.9 | 86.1 | 149.5 | -76.5 | -78.3 | 0 | 0 | 0 | 108.8 | Y108 | F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.73Å |
| 107 | T | 30.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | trans | -60 | 98.8 | 160.7 | -46 | 0 | 0 | 0 | 0 | 106.7 | N105 I109 | N105-T107 PolarHBondContact O-N 3.48Å; T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.71Å |
| 108 | Y | 31.5 | Very low | 34.3 | Very low | 198 Ų | 198 | 149 Ų | 149 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | | | trans | -68.7 | 92.6 | 175.3 | -158.3 | -94.1 | 0 | 0 | 0 | 107.2 | F106 C110 | F106-Y108 VanDerWaalsContact C-N 3.29Å; F106-Y108 PolarHBondContact O-N 2.73Å; Y108-C110 HydrophobicContact CD1-CB 4.42Å; Y108-C110 WeakPolarHBondContact CD1-SG 3.36Å; Y108-C110 VanDerWaalsContact CE1-SG 3.52Å; Y108-C110 PolarHBondContact O-N 2.99Å |
| 109 | I | 35.6 | Very low | 35.4 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | | | trans | -67.7 | 89.9 | 166.4 | -56 | 175 | 0 | 0 | 0 | 104.8 | T107 Q111 | T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.71Å; I109-Q111 HydrophobicContact CG2-CG 4.41Å; I109-Q111 PolarHBondContact O-N 2.93Å |
| 110 | C | 29.1 | Very low | 36.4 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | trans | -60.4 | 85.9 | 160.5 | -92 | 0 | 0 | 0 | 0 | 106.6 | Y108 E112 | Y108-C110 HydrophobicContact CD1-CB 4.42Å; Y108-C110 WeakPolarHBondContact CD1-SG 3.36Å; Y108-C110 VanDerWaalsContact CE1-SG 3.52Å; Y108-C110 PolarHBondContact O-N 2.99Å; C110-E112 PolarHBondContact O-N 2.84Å |
| 111 | Q | 32.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | | | trans | -59.2 | 101.2 | 155.5 | -91.9 | -179.5 | -3.6 | 0 | 0 | 105.3 | I109 P113 | I109-Q111 HydrophobicContact CG2-CG 4.41Å; I109-Q111 PolarHBondContact O-N 2.93Å; Q111-P113 WeakPolarHBondContact O-CD 3.43Å |
| 112 | E | 32.6 | Very low | 39.1 | Very low | 146 Ų | 146 | 137 Ų | 137 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | | | trans | -49.3 | 109.9 | 171.3 | -166 | -179.7 | 176 | 0 | 0 | 106.2 | C110 S114 K115 | C110-E112 PolarHBondContact O-N 2.84Å; E112-S114 PolarHBondContact O-N 2.84Å; E112-K115 IonicContact OE1-NZ 3.44Å; E112-K115 PolarHBondContact OE1-NZ 2.93Å |
| 113 | P | 38.8 | Very low | 40.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | trans | -61.4 | 111.8 | -179.7 | -18.3 | 30.5 | 0 | 0 | 0 | 105 | Q111 K115 | Q111-P113 WeakPolarHBondContact O-CD 3.43Å; P113-K115 PolarHBondContact O-N 3.39Å |
| 114 | S | 40.2 | Very low | 42.2 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | | | trans | -38.8 | 122 | 174.4 | 54 | 0 | 0 | 0 | 0 | 106.9 | E112 A116 | E112-S114 PolarHBondContact O-N 2.84Å; S114-A116 PolarHBondContact O-N 2.95Å |
| 115 | K | 38.6 | Very low | 43.8 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | | | trans | -64 | 60.6 | 178.9 | -67.5 | 167.4 | -179.3 | 150.2 | 0 | 109.5 | E112 P113 R117 | E112-K115 IonicContact OE1-NZ 3.44Å; E112-K115 PolarHBondContact OE1-NZ 2.93Å; P113-K115 PolarHBondContact O-N 3.39Å; K115-R117 PolarHBondContact O-N 2.75Å |
| 116 | A | 43.3 | Very low | 45.5 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | | | trans | -68 | 84.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 103.8 | S114 L118 | S114-A116 PolarHBondContact O-N 2.95Å; A116-L118 PolarHBondContact O-N 3.3Å |
| 117 | R | 41.1 | Very low | 47.2 | Very low | 207 Ų | 207 | 118.2 Ų | 118.2 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | | | trans | -55.5 | 87.5 | 173.1 | -174.6 | 174.1 | 177.6 | 163.3 | 0.7 | 106.4 | K115 K119 | K115-R117 PolarHBondContact O-N 2.75Å; R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.35Å |
| 118 | L | 43.7 | Very low | 49.1 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 84% | 0.843 | 63% | 0.628 | S | S | * | * | | | trans | -57.7 | 100.5 | 168.7 | -72.5 | 170.9 | 0 | 0 | 0 | 103.9 | A116 S120 | A116-L118 PolarHBondContact O-N 3.3Å; L118-S120 PolarHBondContact O-N 3.14Å |
| 119 | K | 48.4 | Very low | 50.8 | Low | 171 Ų | 171 | 114.3 Ų | 114.3 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | | | trans | -60.6 | 90.7 | 172.4 | -77.7 | 176.6 | 177.2 | 174.8 | 0 | 105.5 | R117 G121 | R117-K119 VanDerWaalsContact C-N 3.25Å; R117-K119 PolarHBondContact O-N 3.35Å; K119-G121 PolarHBondContact O-N 2.83Å |
| 120 | S | 55.5 | Low | 52.3 | Low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | | | trans | -52.6 | 129.9 | 172.8 | 60.3 | 0 | 0 | 0 | 0 | 106.3 | L118 A122 D123 | L118-S120 PolarHBondContact O-N 3.14Å; S120-A122 PolarHBondContact O-N 3.01Å; S120-D123 PolarHBondContact O-N 2.99Å |
| 121 | G | 55.8 | Low | 53.7 | Low | 57 Ų | 57 | 119.3 Ų | 119.3 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -54.7 | -19.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K119 S124 L125 | K119-G121 PolarHBondContact O-N 2.83Å; G121-S124 WeakPolarHBondContact O-CB 3.4Å; G121-S124 PolarHBondContact O-N 3.44Å; G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 PolarHBondContact O-N 2.82Å |
| 122 | A | 59 | Low | 54.7 | Low | 67 Ų | 67 | 120.1 Ų | 120.1 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.9 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S120 S124 L125 L126 | S120-A122 PolarHBondContact O-N 3.01Å; A122-S124 VanDerWaalsContact C-N 3.34Å; A122-S124 PolarHBondContact O-N 3.4Å; A122-L125 PolarHBondContact O-N 2.91Å; A122-L126 WeakPolarHBondContact O-CB 3.22Å; A122-L126 PolarHBondContact O-N 3.49Å |
| 123 | D | 65.2 | Low | 55.2 | Low | 87 Ų | 87 | 117.4 Ų | 117.4 | 47% | 0.465 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.1 | -38.3 | 177.3 | -84.2 | -9.4 | 0 | 0 | 0 | 111.4 | S120 L125 L126 Q127 | S120-D123 PolarHBondContact O-N 2.99Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L126 PolarHBondContact O-N 3.12Å; D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.44Å |
| 124 | S | 62.4 | Low | 55.6 | Low | 56 Ų | 56 | 121 Ų | 121 | 39% | 0.392 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.3 | -42.4 | 174.2 | -45.8 | 0 | 0 | 0 | 0 | 111.4 | G121 A122 R128 | G121-S124 WeakPolarHBondContact O-CB 3.4Å; G121-S124 PolarHBondContact O-N 3.44Å; A122-S124 VanDerWaalsContact C-N 3.34Å; A122-S124 PolarHBondContact O-N 3.4Å; S124-R128 VanDerWaalsContact O-CB 3.31Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å |
| 125 | L | 72.8 | Confident | 55.8 | Low | 80 Ų | 80 | 121.6 Ų | 121.6 | 42% | 0.419 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.4 | -44.2 | 176.2 | -176.9 | 68.6 | 0 | 0 | 0 | 110.9 | G121 A122 D123 R128 L129 | G121-L125 WeakPolarHBondContact O-CB 3.41Å; G121-L125 PolarHBondContact O-N 2.82Å; A122-L125 PolarHBondContact O-N 2.91Å; D123-L125 VanDerWaalsContact C-N 3.34Å; L125-R128 VanDerWaalsContact CD1-NH2 3.33Å; L125-R128 PolarHBondContact O-N 2.74Å; L125-L129 HydrophobicContact CG-CD1 4.15Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.99Å |
| 126 | L | 68.3 | Low | 56 | Low | 78 Ų | 78 | 124 Ų | 124 | 41% | 0.408 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.6 | -39.9 | 179.8 | -158.8 | 71.2 | 0 | 0 | 0 | 111.3 | A122 D123 L129 R130 | A122-L126 WeakPolarHBondContact O-CB 3.22Å; A122-L126 PolarHBondContact O-N 3.49Å; D123-L126 PolarHBondContact O-N 3.12Å; L126-L129 PolarHBondContact O-N 3.22Å; L126-R130 WeakPolarHBondContact O-CB 3.25Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.3Å; L126-R130 PolarHBondContact O-N 3Å |
| 127 | Q | 67.2 | Low | 56 | Low | 130 Ų | 130 | 126 Ų | 126 | 61% | 0.607 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.4 | -42.7 | 169.7 | -95.5 | -172.1 | -3.9 | 0 | 0 | 111.9 | D123 L129 R130 K131 | D123-Q127 WeakPolarHBondContact O-CB 3.41Å; D123-Q127 PolarHBondContact O-N 3.44Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3Å; Q127-R130 PolarHBondContact O-N 2.98Å; Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 WeakPolarHBondContact O-CG 3.31Å; Q127-K131 PolarHBondContact O-N 2.78Å |
| 128 | R | 69.8 | Low | 56.2 | Low | 144 Ų | 144 | 125.8 Ų | 125.8 | 54% | 0.543 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.8 | -37.2 | 178.7 | -169.9 | 173.6 | 66.5 | 163.3 | -0 | 112.1 | S124 L125 R132 | S124-R128 VanDerWaalsContact O-CB 3.31Å; S124-R128 WeakPolarHBondContact O-CB 3.45Å; S124-R128 PolarHBondContact O-N 3.43Å; L125-R128 VanDerWaalsContact CD1-NH2 3.33Å; L125-R128 PolarHBondContact O-N 2.74Å; R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.82Å |
| 129 | L | 67.3 | Low | 56.4 | Low | 90 Ų | 90 | 125 Ų | 125 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.6 | -44.6 | 174.9 | -71.3 | 172 | 0 | 0 | 0 | 111.3 | L125 L126 Q127 K131 R132 S133 | L125-L129 HydrophobicContact CG-CD1 4.15Å; L125-L129 WeakPolarHBondContact O-CB 3.2Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.99Å; L126-L129 PolarHBondContact O-N 3.22Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 3.09Å; L129-S133 PolarHBondContact O-N 2.92Å; L129-S133 PolarHBondContact O-OG 3.06Å |
| 130 | R | 67.2 | Low | 56 | Low | 164 Ų | 164 | 125.1 Ų | 125.1 | 62% | 0.619 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59 | -38.2 | 174 | -75.1 | 178.2 | -172.9 | 167.8 | 3.1 | 112.1 | L126 Q127 R132 S133 | L126-R130 WeakPolarHBondContact O-CB 3.25Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.3Å; L126-R130 PolarHBondContact O-N 3Å; Q127-R130 PolarHBondContact O-N 2.98Å; R130-R132 VanDerWaalsContact C-N 3.26Å; R130-R132 PolarHBondContact O-N 2.84Å; R130-S133 PolarHBondContact O-N 3.41Å |
| 131 | K | 59.2 | Low | 55.5 | Low | 175 Ų | 175 | 133.4 Ų | 133.4 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.3 | -19.2 | 174.5 | -76.4 | -169.3 | 177.4 | -172.2 | 0 | 113.9 | Q127 L129 | Q127-K131 WeakPolarHBondContact O-CB 3.48Å; Q127-K131 WeakPolarHBondContact O-CG 3.31Å; Q127-K131 PolarHBondContact O-N 2.78Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 3.09Å |
| 132 | R | 51.8 | Low | 55.1 | Low | 185 Ų | 185 | 136.4 Ų | 136.4 | 70% | 0.698 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -90.5 | -17.2 | 176.9 | -76.4 | -177.2 | 169.6 | 174.7 | -3.6 | 113.8 | R128 L129 R130 F134 | R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 2.82Å; L129-R132 PolarHBondContact O-N 3.09Å; R130-R132 VanDerWaalsContact C-N 3.26Å; R130-R132 PolarHBondContact O-N 2.84Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.81Å |
| 133 | S | 43.9 | Very low | 54.3 | Low | 89 Ų | 89 | 140.8 Ų | 140.8 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -83.6 | 2.7 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 115.3 | L129 R130 | L129-S133 PolarHBondContact O-N 2.92Å; L129-S133 PolarHBondContact O-OG 3.06Å; R130-S133 PolarHBondContact O-N 3.41Å |
| 134 | F | 46.8 | Very low | 53 | Low | 183 Ų | 183 | 145.5 Ų | 145.5 | 80% | 0.803 | 67% | 0.673 | S | S | * | * | | | trans | -130.5 | 54 | 179.3 | -62.4 | -75 | 0 | 0 | 0 | 113.2 | R132 | R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.81Å |
| 135 | S | 44.8 | Very low | 52.1 | Low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | | | trans | -107.8 | 60.8 | 150.1 | -169 | 0 | 0 | 0 | 0 | 108 | D137 | S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.14Å |
| 136 | R | 42.7 | Very low | 50.6 | Low | 228 Ų | 228 | 153.8 Ų | 153.8 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | | | trans | -70.8 | 108.5 | 164.7 | -164.7 | 176.2 | -177 | -177.2 | 1.4 | 105 | K138 | R136-K138 PolarHBondContact O-N 3.22Š|
| 137 | D | 44.1 | Very low | 49 | Very low | 115 Ų | 115 | 160.1 Ų | 160.1 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -33.7 | 98.2 | 173.1 | -138.1 | -28.8 | 0 | 0 | 0 | 109.3 | S135 H139 | S135-D137 PolarHBondContact O-N 2.86Å; S135-D137 VanDerWaalsContact O-N 3.14Å; D137-H139 PolarHBondContact O-N 2.9Å; D137-H139 IonicContact OD1-CE1 3.94Å; D137-H139 IonicContact OD2-CE1 3.79Å; D137-H139 IonicContact OD2-NE2 3.59Å |
| 138 | K | 45 | Very low | 47.6 | Very low | 202 Ų | 202 | 159.8 Ų | 159.8 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | | | trans | -74.2 | 73.6 | 163.1 | -76.2 | -166.4 | -178.9 | -176.5 | 0 | 104.4 | R136 K140 | R136-K138 PolarHBondContact O-N 3.22Å; K138-K140 PolarHBondContact O-N 3.33Å |
| 139 | H | 46.1 | Very low | 45.7 | Very low | 144 Ų | 144 | 164.4 Ų | 164.4 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | | | trans | -49.6 | 113.8 | 156.6 | -80.6 | -56.7 | 0 | 0 | 0 | 105.3 | D137 R141 | D137-H139 PolarHBondContact O-N 2.9Å; D137-H139 IonicContact OD1-CE1 3.94Å; D137-H139 IonicContact OD2-CE1 3.79Å; D137-H139 IonicContact OD2-NE2 3.59Å; H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.43Å |
| 140 | K | 41.7 | Very low | 44 | Very low | 175 Ų | 175 | 165.6 Ų | 165.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -39.8 | 105.3 | 159.9 | -85.9 | 177.2 | 169.6 | -178.9 | 0 | 105.7 | K138 D142 | K138-K140 PolarHBondContact O-N 3.33Å; K140-D142 PolarHBondContact O-N 3.38Å |
| 141 | R | 44.8 | Very low | 42.4 | Very low | 235 Ų | 235 | 163.2 Ų | 163.2 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 85.8 | 150.2 | -77.6 | -175.6 | -169.3 | 158 | 1.5 | 102.9 | H139 N143 | H139-R141 VanDerWaalsContact C-N 3.3Å; H139-R141 PolarHBondContact O-N 3.43Å; R141-N143 PolarHBondContact O-N 3.22Å; R141-N143 VanDerWaalsContact O-N 3.11Å |
| 142 | D | 47.1 | Very low | 41.2 | Very low | 121 Ų | 121 | 159.9 Ų | 159.9 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | | | trans | -50.2 | 120.8 | 157.4 | -66 | -35.3 | 0 | 0 | 0 | 104.4 | K140 K144 | K140-D142 PolarHBondContact O-N 3.38Å; D142-K144 PolarHBondContact O-N 2.96Å |
| 143 | N | 41.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 155 Ų | 155 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -61 | 71.5 | 171.1 | -85.7 | -23.3 | 0 | 0 | 0 | 107.8 | R141 T145 | R141-N143 PolarHBondContact O-N 3.22Å; R141-N143 VanDerWaalsContact O-N 3.11Å; N143-T145 PolarHBondContact O-N 3.4Å; N143-T145 VanDerWaalsContact O-N 3.13Å |
| 144 | K | 38.8 | Very low | 40 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 94.9 | 157 | -113.9 | 173.5 | 178.4 | 173.2 | 0 | 103.6 | D142 Q146 | D142-K144 PolarHBondContact O-N 2.96Å; K144-Q146 PolarHBondContact O-N 3.29Å |
| 145 | T | 42.8 | Very low | 39.3 | Very low | 130 Ų | 130 | 159 Ų | 159 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -39.2 | 83.8 | 147.4 | 11.6 | 0 | 0 | 0 | 0 | 107.5 | N143 Y147 | N143-T145 PolarHBondContact O-N 3.4Å; N143-T145 VanDerWaalsContact O-N 3.13Å; T145-Y147 PolarHBondContact O-N 3.37Å |
| 146 | Q | 41 | Very low | 38.6 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -77.1 | 94.6 | 174.7 | -162.1 | 169.3 | 10.9 | 0 | 0 | 103.3 | K144 C148 | K144-Q146 PolarHBondContact O-N 3.29Å; Q146-C148 PolarHBondContact O-N 3.5Å |
| 147 | Y | 35.1 | Very low | 38.1 | Very low | 211 Ų | 211 | 153.6 Ų | 153.6 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -32.9 | 113.9 | 165 | -92.7 | -100 | 0 | 0 | 0 | 108.3 | T145 R149 | T145-Y147 PolarHBondContact O-N 3.37Å; Y147-R149 PolarHBondContact O-N 3.06Å |
| 148 | C | 36.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 158.7 Ų | 158.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -60.7 | 88.8 | 166.1 | -62.2 | 0 | 0 | 0 | 0 | 106.3 | Q146 S150 | Q146-C148 PolarHBondContact O-N 3.5Å; C148-S150 PolarHBondContact O-N 2.91Å; C148-S150 VanDerWaalsContact O-N 3.08Å |
| 149 | R | 29.8 | Very low | 36.9 | Very low | 240 Ų | 240 | 154.2 Ų | 154.2 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | | | trans | -67.4 | 107.5 | 161.1 | -92.1 | -174.8 | 167.2 | 155.9 | -2.7 | 105.2 | Y147 S151 | Y147-R149 PolarHBondContact O-N 3.06Å; R149-S151 PolarHBondContact O-N 3.15Å |
| 150 | S | 33.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -40.7 | 100.7 | 170.3 | -47.1 | 0 | 0 | 0 | 0 | 109 | C148 S152 | C148-S150 PolarHBondContact O-N 2.91Å; C148-S150 VanDerWaalsContact O-N 3.08Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.64Å |
| 151 | S | 32 | Very low | 35.4 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -70.9 | 101 | 165.1 | -173.3 | 0 | 0 | 0 | 0 | 104.9 | R149 A153 | R149-S151 PolarHBondContact O-N 3.15Å; S151-A153 PolarHBondContact O-N 2.93Å |
| 152 | S | 35.7 | Very low | 34.7 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -48.6 | 104.7 | 166.1 | 43.7 | 0 | 0 | 0 | 0 | 108 | S150 | S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 2.64Å |
| 153 | A | 32.9 | Very low | 33.8 | Very low | 81 Ų | 81 | 150.8 Ų | 150.8 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | trans | -56.3 | 137.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S151 R155 | S151-A153 PolarHBondContact O-N 2.93Å; A153-R155 PolarHBondContact O-N 3.12Å |
| 154 | P | 36.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -60.2 | 128.7 | -175.7 | 23.7 | -31.9 | 0 | 0 | 0 | 109.7 | S156 | P154-S156 PolarHBondContact O-N 2.94Š|
| 155 | R | 32.1 | Very low | 32.8 | Very low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -54.7 | 109 | 173 | -68.3 | 178 | 174.3 | -129.1 | -0.3 | 108.4 | A153 V157 | A153-R155 PolarHBondContact O-N 3.12Å; R155-V157 VanDerWaalsContact C-N 3.33Å; R155-V157 HydrophobicContact CB-CG2 4.29Å; R155-V157 PolarHBondContact O-N 2.73Å |
| 156 | S | 30.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -69.6 | 96.5 | 164.5 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | P154 Y158 | P154-S156 PolarHBondContact O-N 2.94Å; S156-Y158 PolarHBondContact O-N 2.82Å; S156-Y158 VanDerWaalsContact O-N 3.16Å |
| 157 | V | 32.8 | Very low | 31.6 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -84.1 | 70.5 | 169.9 | -171.1 | 0 | 0 | 0 | 0 | 106.7 | R155 | R155-V157 VanDerWaalsContact C-N 3.33Å; R155-V157 HydrophobicContact CB-CG2 4.29Å; R155-V157 PolarHBondContact O-N 2.73Å |
| 158 | Y | 33.5 | Very low | 31.4 | Very low | 221 Ų | 221 | 144.8 Ų | 144.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -110.8 | 111.7 | 159.4 | -89.3 | -80.9 | 0 | 0 | 0 | 108.1 | S156 | S156-Y158 PolarHBondContact O-N 2.82Å; S156-Y158 VanDerWaalsContact O-N 3.16Å |
| 159 | S | 29.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -70.2 | 145.2 | -171.8 | -161.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 160 | Y | 26 | Very low | 31.3 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -30.3 | 140 | 167.3 | -76.2 | -101.4 | 0 | 0 | 0 | 115.4 | | |
| 161 | Q | 30.7 | Very low | 31.2 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | -168 | 142.9 | 118.5 | -151.4 | 78.7 | 7 | 0 | 0 | 110.4 | | |
| 162 | S | 30.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | 86.5 | 86.3 | 159.2 | -54.1 | 0 | 0 | 0 | 0 | 117.5 | A164 | S162-A164 PolarHBondContact O-N 3.41Š|
| 163 | A | 28.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | | | trans | -54.5 | 111.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 164 | A | 32.2 | Very low | 31.1 | Very low | 81 Ų | 81 | 150.3 Ų | 150.3 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | | | trans | -127.9 | 98.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | S162 F166 | S162-A164 PolarHBondContact O-N 3.41Å; A164-F166 PolarHBondContact O-N 2.85Å; A164-F166 VanDerWaalsContact O-N 3.15Å |
| 165 | E | 26.6 | Very low | 30.8 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | -53.5 | 111.9 | 165.2 | -68.2 | 169.4 | 156.1 | 0 | 0 | 108.3 | | |
| 166 | F | 30.8 | Very low | 30.8 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | trans | -133.4 | 87.9 | 155.3 | -94.2 | -81.7 | 0 | 0 | 0 | 107 | A164 I168 | A164-F166 PolarHBondContact O-N 2.85Å; A164-F166 VanDerWaalsContact O-N 3.15Å; F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 HydrophobicContact CB-CG1 4.45Å; F166-I168 HydrophobicContact CD1-CD1 4.49Å; F166-I168 HydrophobicContact CD1-CG1 4.49Å; F166-I168 PolarHBondContact O-N 3.5Å |
| 167 | E | 28.1 | Very low | 31 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -57 | 96.1 | 156.3 | -76.7 | -175.4 | 144.2 | 0 | 0 | 108 | | |
| 168 | I | 32 | Very low | 31.1 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | | | trans | -109.7 | 89.6 | 162.4 | -59 | 179.2 | 0 | 0 | 0 | 106.5 | F166 H170 | F166-I168 VanDerWaalsContact C-N 3.3Å; F166-I168 HydrophobicContact CB-CG1 4.45Å; F166-I168 HydrophobicContact CD1-CD1 4.49Å; F166-I168 HydrophobicContact CD1-CG1 4.49Å; F166-I168 PolarHBondContact O-N 3.5Å; I168-H170 VanDerWaalsContact CG2-CD2 3.43Å; I168-H170 WeakPolarHBondContact CG2-CD2 3.4Å; I168-H170 PolarHBondContact O-N 3.41Å |
| 169 | N | 29.3 | Very low | 31 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -59.8 | 81.1 | 163 | -78.5 | -47.2 | 0 | 0 | 0 | 109.5 | | |
| 170 | H | 34.6 | Very low | 31 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | trans | -116 | 93.2 | 158.2 | -79.5 | -50.7 | 0 | 0 | 0 | 109.4 | I168 D172 | I168-H170 VanDerWaalsContact CG2-CD2 3.43Å; I168-H170 WeakPolarHBondContact CG2-CD2 3.4Å; I168-H170 PolarHBondContact O-N 3.41Å; H170-D172 PolarHBondContact O-N 2.84Å |
| 171 | I | 31.8 | Very low | 31.5 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | | | trans | -63.4 | 71 | 156.5 | -58.7 | 164.9 | 0 | 0 | 0 | 106.4 | K173 | I171-K173 HydrophobicContact CG2-CG 4.03Å; I171-K173 PolarHBondContact O-N 3.32Å |
| 172 | D | 34.6 | Very low | 31.5 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 51% | 0.508 | 76% | 0.762 | S | S | . | * | | | trans | -81.5 | 87.3 | 163.3 | -73.3 | -24.9 | 0 | 0 | 0 | 106.2 | H170 Y174 | H170-D172 PolarHBondContact O-N 2.84Å; D172-Y174 HydrophobicContact CB-CD2 3.79Å; D172-Y174 HydrophobicContact CB-CE2 3.43Å; D172-Y174 VanDerWaalsContact CB-CE2 3.43Å; D172-Y174 PolarHBondContact O-N 3.17Å |
| 173 | K | 31.3 | Very low | 31.6 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -57.3 | 80.6 | 157.6 | -76.5 | 176.1 | -178.4 | 176.7 | 0 | 107.3 | I171 S175 | I171-K173 HydrophobicContact CG2-CG 4.03Å; I171-K173 PolarHBondContact O-N 3.32Å; K173-S175 PolarHBondContact O-N 3.33Å |
| 174 | Y | 33.1 | Very low | 31.8 | Very low | 200 Ų | 200 | 151.6 Ų | 151.6 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -70.3 | 81.6 | 158.1 | -69.7 | -72.5 | 0 | 0 | 0 | 106.8 | D172 L176 | D172-Y174 HydrophobicContact CB-CD2 3.79Å; D172-Y174 HydrophobicContact CB-CE2 3.43Å; D172-Y174 VanDerWaalsContact CB-CE2 3.43Å; D172-Y174 PolarHBondContact O-N 3.17Å; Y174-L176 PolarHBondContact O-N 2.92Å |
| 175 | S | 29.7 | Very low | 31.8 | Very low | 87 Ų | 87 | 154.5 Ų | 154.5 | 61% | 0.608 | 75% | 0.753 | S | S | * | * | | | trans | -56.5 | 109 | 157.9 | 53.6 | 0 | 0 | 0 | 0 | 106.3 | K173 T177 | K173-S175 PolarHBondContact O-N 3.33Å; S175-T177 PolarHBondContact O-N 2.93Å; S175-T177 PolarHBondContact O-OG1 3.39Å |
| 176 | L | 31.7 | Very low | 32 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | trans | -69.7 | 66.2 | 172.1 | -167.8 | 72.4 | 0 | 0 | 0 | 109 | Y174 Q178 | Y174-L176 PolarHBondContact O-N 2.92Å; L176-Q178 PolarHBondContact O-N 3.23Å |
| 177 | T | 34.5 | Very low | 32 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | -90.5 | 55.8 | 165.1 | 27.4 | 0 | 0 | 0 | 0 | 108.4 | S175 R179 | S175-T177 PolarHBondContact O-N 2.93Å; S175-T177 PolarHBondContact O-OG1 3.39Å; T177-R179 PolarHBondContact O-N 2.79Å; T177-R179 VanDerWaalsContact O-N 3.12Å |
| 178 | Q | 34.5 | Very low | 32.3 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | -86.7 | 81.9 | 162.8 | -138.2 | 171.9 | 35.6 | 0 | 0 | 108.5 | L176 N180 | L176-Q178 PolarHBondContact O-N 3.23Å; Q178-N180 PolarHBondContact O-N 2.81Å |
| 179 | R | 31.1 | Very low | 32.3 | Very low | 225 Ų | 225 | 148.3 Ų | 148.3 | 85% | 0.849 | 74% | 0.744 | S | S | * | * | | | trans | -35.5 | 127 | 166.2 | -143.8 | 178.7 | -151.9 | 145.7 | 1 | 111.1 | T177 K181 | T177-R179 PolarHBondContact O-N 2.79Å; T177-R179 VanDerWaalsContact O-N 3.12Å; R179-K181 PolarHBondContact O-N 2.84Å |
| 180 | N | 30.2 | Very low | 32.6 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | trans | -21.9 | 98.7 | 161.6 | -70.3 | -38.7 | 0 | 0 | 0 | 113.8 | Q178 | Q178-N180 PolarHBondContact O-N 2.81Š|
| 181 | K | 35.6 | Very low | 32.5 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | trans | -115.6 | 22.6 | 165 | -94.2 | -165.4 | 178.5 | -174.9 | 0 | 113 | R179 | R179-K181 PolarHBondContact O-N 2.84Š|
| 182 | Y | 31.8 | Very low | 32.5 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | -120.9 | 48.3 | 171.7 | -59.7 | -72.9 | 0 | 0 | 0 | 111.2 | | |
| 183 | G | 31.5 | Very low | 32.3 | Very low | 58 Ų | 58 | 150.5 Ų | 150.5 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -96.5 | 128.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 184 | N | 32.5 | Very low | 32.4 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | 92.6 | 49.1 | -179.5 | -47.8 | -18 | 0 | 0 | 0 | 116.3 | | |
| 185 | L | 32.7 | Very low | 32.2 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -111.4 | 70.5 | 141.2 | -75.8 | 167.8 | 0 | 0 | 0 | 107.7 | V187 | L185-V187 PolarHBondContact O-N 2.82Š|
| 186 | F | 30.3 | Very low | 32.3 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | -61.5 | 92.7 | 149.5 | -89.9 | -89.5 | 0 | 0 | 0 | 105.8 | S188 | F186-S188 PolarHBondContact O-N 3.03Š|
| 187 | V | 31.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | | | trans | -71.2 | 84.1 | 158.8 | -175.3 | 0 | 0 | 0 | 0 | 104.6 | L185 N189 | L185-V187 PolarHBondContact O-N 2.82Å; V187-N189 PolarHBondContact O-N 2.82Å |
| 188 | S | 33.6 | Very low | 32 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | -46.3 | 123.4 | 159.9 | 38.4 | 0 | 0 | 0 | 0 | 107.3 | F186 L190 | F186-S188 PolarHBondContact O-N 3.03Å; S188-L190 PolarHBondContact O-N 3.06Å |
| 189 | N | 31.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | -24.5 | 95 | 170.8 | -81.5 | -35.2 | 0 | 0 | 0 | 112.2 | V187 I191 | V187-N189 PolarHBondContact O-N 2.82Å; N189-I191 HydrophobicContact CB-CD1 4.48Å; N189-I191 HydrophobicContact CB-CG1 4.27Å; N189-I191 PolarHBondContact O-N 2.78Å |
| 190 | L | 36.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -77.3 | 62.2 | 158 | -70.5 | 167.8 | 0 | 0 | 0 | 106.6 | S188 P192 | S188-L190 PolarHBondContact O-N 3.06Å; L190-P192 VanDerWaalsContact O-CD 3.25Å; L190-P192 WeakPolarHBondContact O-CD 3.29Å |
| 191 | I | 33 | Very low | 32.1 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 64% | 0.641 | 74% | 0.739 | S | S | * | * | | | trans | -75.9 | 112.8 | 155.8 | -64.3 | 174.4 | 0 | 0 | 0 | 103.4 | N189 Q193 | N189-I191 HydrophobicContact CB-CD1 4.48Å; N189-I191 HydrophobicContact CB-CG1 4.27Å; N189-I191 PolarHBondContact O-N 2.78Å; I191-Q193 PolarHBondContact O-N 2.84Å |
| 192 | P | 30.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | -59.1 | 111.6 | 176.6 | 22.8 | -30.9 | 0 | 0 | 0 | 108.3 | L190 I194 | L190-P192 VanDerWaalsContact O-CD 3.25Å; L190-P192 WeakPolarHBondContact O-CD 3.29Å; P192-I194 HydrophobicContact CB-CG1 4.32Å; P192-I194 PolarHBondContact O-N 2.96Å |
| 193 | Q | 31 | Very low | 32.2 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | -64.3 | 93.4 | 157 | -89.4 | -173.8 | -25.1 | 0 | 0 | 106.3 | I191 C195 | I191-Q193 PolarHBondContact O-N 2.84Å; Q193-C195 PolarHBondContact O-N 3.5Å |
| 194 | I | 32.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -74.7 | 85.3 | 164.2 | -53.3 | 173.7 | 0 | 0 | 0 | 105.3 | P192 L196 | P192-I194 HydrophobicContact CB-CG1 4.32Å; P192-I194 PolarHBondContact O-N 2.96Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 HydrophobicContact CG2-CD2 4.26Å; I194-L196 HydrophobicContact CG2-CG 4.22Å; I194-L196 PolarHBondContact O-N 2.95Å |
| 195 | C | 28.7 | Very low | 32.6 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | | | trans | -64.1 | 100.7 | 160.9 | -72.1 | 0 | 0 | 0 | 0 | 106.6 | Q193 S197 | Q193-C195 PolarHBondContact O-N 3.5Å; C195-S197 PolarHBondContact O-N 2.83Å |
| 196 | L | 32.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | | | trans | -71 | 70.4 | 165.2 | -71.7 | 166.4 | 0 | 0 | 0 | 108.1 | I194 R198 | I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L196 HydrophobicContact CG2-CD2 4.26Å; I194-L196 HydrophobicContact CG2-CG 4.22Å; I194-L196 PolarHBondContact O-N 2.95Å; L196-R198 PolarHBondContact O-N 3.35Å |
| 197 | S | 33.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -66.8 | 96.4 | 158.4 | 47.9 | 0 | 0 | 0 | 0 | 106 | C195 S199 | C195-S197 PolarHBondContact O-N 2.83Å; S197-S199 PolarHBondContact O-N 3.27Å |
| 198 | R | 27 | Very low | 32.4 | Very low | 228 Ų | 228 | 136.8 Ų | 136.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -59.5 | 93.5 | 166.7 | -68.1 | 178.3 | -179.9 | -123.9 | 1.5 | 106.8 | L196 V200 | L196-R198 PolarHBondContact O-N 3.35Å; R198-V200 VanDerWaalsContact C-N 3.25Å; R198-V200 PolarHBondContact O-N 2.75Å |
| 199 | S | 31.3 | Very low | 32.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -67 | 96.9 | 157.9 | 53.3 | 0 | 0 | 0 | 0 | 105.6 | S197 P201 | S197-S199 PolarHBondContact O-N 3.27Å; S199-P201 WeakPolarHBondContact O-CD 3.37Å |
| 200 | V | 31.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -57.4 | 122.6 | 164.8 | 176 | 0 | 0 | 0 | 0 | 105.7 | R198 E202 | R198-V200 VanDerWaalsContact C-N 3.25Å; R198-V200 PolarHBondContact O-N 2.75Å; V200-E202 PolarHBondContact O-N 2.73Å; V200-E202 VanDerWaalsContact O-N 3.13Å |
| 201 | P | 34.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | trans | -62 | 117.7 | 175.2 | -14.8 | 27.8 | 0 | 0 | 0 | 107.6 | S199 L203 | S199-P201 WeakPolarHBondContact O-CD 3.37Å; P201-L203 PolarHBondContact O-N 2.73Å |
| 202 | E | 34.8 | Very low | 31.8 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | | | trans | -58.3 | 110.3 | 162.7 | -90.8 | 178.7 | 151.7 | 0 | 0 | 107 | V200 Q204 | V200-E202 PolarHBondContact O-N 2.73Å; V200-E202 VanDerWaalsContact O-N 3.13Å; E202-Q204 PolarHBondContact O-N 2.82Å |
| 203 | L | 35.6 | Very low | 31.8 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | | | trans | -61.9 | 104.2 | 167.1 | -78.1 | 158.8 | 0 | 0 | 0 | 106.1 | P201 D205 | P201-L203 PolarHBondContact O-N 2.73Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 2.7Å |
| 204 | Q | 34.5 | Very low | 31.9 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -66.7 | 99.8 | 164.4 | -73.7 | -178.7 | 2.7 | 0 | 0 | 106.5 | E202 H206 | E202-Q204 PolarHBondContact O-N 2.82Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.36Å |
| 205 | D | 37.4 | Very low | 31.7 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -60.8 | 94.8 | 170.8 | -73.5 | -34 | 0 | 0 | 0 | 108.2 | L203 S207 | L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 2.7Å; D205-S207 PolarHBondContact O-N 2.88Å |
| 206 | H | 32.9 | Very low | 32 | Very low | 166 Ų | 166 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -70.7 | 74.5 | 165.1 | -67.4 | -49.1 | 0 | 0 | 0 | 108.6 | Q204 C208 | Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.36Å; H206-C208 VanDerWaalsContact C-N 3.32Å; H206-C208 PolarHBondContact O-N 2.8Å |
| 207 | S | 33.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | | | trans | -71.3 | 93.6 | 164 | 60.9 | 0 | 0 | 0 | 0 | 108.1 | D205 V209 | D205-S207 PolarHBondContact O-N 2.88Å; S207-V209 PolarHBondContact O-N 3.21Å |
| 208 | C | 24.7 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 86% | 0.858 | 78% | 0.778 | S | S | * | * | | | trans | -66.2 | 97.1 | 167.6 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | H206 | H206-C208 VanDerWaalsContact C-N 3.32Å; H206-C208 PolarHBondContact O-N 2.8Å |
| 209 | V | 34.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | | | trans | -98.5 | 116.2 | 173.1 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | S207 S211 | S207-V209 PolarHBondContact O-N 3.21Å; V209-S211 PolarHBondContact O-N 2.81Å |
| 210 | P | 29.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -84.1 | 109.7 | 171.1 | 31.2 | -25.9 | 0 | 0 | 0 | 108.6 | | |
| 211 | S | 30.7 | Very low | 31.5 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -142.7 | 91.7 | 163.3 | -82.8 | 0 | 0 | 0 | 0 | 109.5 | V209 | V209-S211 PolarHBondContact O-N 2.81Š|
| 212 | G | 25.9 | Very low | 30.9 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -87.1 | 113.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 213 | Y | 31.8 | Very low | 30.7 | Very low | 214 Ų | 214 | 140.4 Ų | 140.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -162.2 | 107.7 | 147 | -108.5 | -82.2 | 0 | 0 | 0 | 108.5 | | |
| 214 | L | 33.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | | | trans | 64.6 | 104 | 149.1 | -58.5 | 174.1 | 0 | 0 | 0 | 119.4 | | |
| 215 | D | 27.7 | Very low | 30 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -36.1 | 127.8 | 142.2 | -69.4 | -49.3 | 0 | 0 | 0 | 112.6 | | |
| 216 | N | 34.2 | Very low | 29.7 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | | -165.6 | 121 | 126.6 | -92.8 | -26.3 | 0 | 0 | 0 | 108.7 | | |
| 217 | G | 28.2 | Very low | 29.4 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | -69.2 | 161.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 218 | L | 33 | Very low | 29.5 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -153.2 | 117.2 | 138.5 | -95.7 | 165.1 | 0 | 0 | 0 | 106 | Y220 | L218-Y220 PolarHBondContact O-N 2.75Š|
| 219 | S | 24.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -67.9 | 126.4 | 176.7 | 65.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 220 | Y | 33.2 | Very low | 29.6 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -133.2 | 126.5 | 150.1 | -76.9 | -74.7 | 0 | 0 | 0 | 110.7 | L218 | L218-Y220 PolarHBondContact O-N 2.75Š|
| 221 | Q | 26.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -48.6 | 137.6 | 179.8 | -109.3 | 157.3 | -46.5 | 0 | 0 | 113.5 | | |
| 222 | C | 21.7 | Very low | 29.7 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | -60.6 | 139.9 | 161.5 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 223 | N | 30.6 | Very low | 29.7 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -143.3 | 101.9 | 148.2 | -102.7 | -6.9 | 0 | 0 | 0 | 110.4 | | |
| 224 | V | 28.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | 22.7 | 112.9 | 144 | -169.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 225 | I | 26.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -83.4 | 129 | 162.9 | -60.8 | 164.7 | 0 | 0 | 0 | 108.6 | | |
| 226 | P | 32.6 | Very low | 29.1 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -100.5 | 121.1 | 155.2 | 3.6 | 16.8 | 0 | 0 | 0 | 109.6 | E228 | P226-E228 PolarHBondContact O-N 3.05Š|
| 227 | S | 26.2 | Very low | 28.8 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -71.2 | 113.2 | 174.9 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | E | 35.1 | Very low | 28.8 | Very low | 200 Ų | 200 | 146 Ų | 146 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | | | trans | -122.8 | 107.8 | 148.9 | -75.7 | -164.6 | 176.7 | 0 | 0 | 109 | P226 | P226-E228 PolarHBondContact O-N 3.05Š|
| 229 | L | 30.4 | Very low | 28.5 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -101 | 112.6 | -177.7 | -95 | 157.9 | 0 | 0 | 0 | 107.5 | | |
| 230 | Y | 30.1 | Very low | 28.4 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | | | | 165.5 | 151.7 | 110.2 | -97.8 | -86.5 | 0 | 0 | 0 | 111.2 | | |
| 231 | P | 33.2 | Very low | 28.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -105 | 150.6 | -149.8 | 38.7 | -31.6 | 0 | 0 | 0 | 114.1 | | |
| 232 | K | 30 | Very low | 28.3 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -125.5 | 123.7 | 159.6 | -92.4 | -178.4 | 177.2 | 176 | 0 | 109.6 | | |
| 233 | S | 26.6 | Very low | 28.7 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | 42 | 127.6 | 142.1 | 56.5 | 0 | 0 | 0 | 0 | 122 | | |
| 234 | S | 26.4 | Very low | 28.6 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | 69.1 | 105.4 | 137.8 | 66.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 235 | S | 25.5 | Very low | 28.6 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | | 41.1 | 104.7 | 127.8 | 61.9 | 0 | 0 | 0 | 0 | 119 | | |
| 236 | H | 28.6 | Very low | 28.9 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -137.2 | 101 | 141.9 | -83.2 | -44.7 | 0 | 0 | 0 | 110.2 | | |
| 237 | L | 26.7 | Very low | 28.8 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | | | trans | -71.8 | 116.2 | 149.4 | -76.6 | 164.6 | 0 | 0 | 0 | 106.3 | | |
| 238 | T | 28.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | | | trans | -140.2 | 86.7 | 165 | -50.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 239 | S | 26.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -77.3 | 121.3 | 163.8 | 56.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 240 | C | 23.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | trans | -65.9 | 123.3 | -180 | -54.3 | 0 | 0 | 0 | 0 | 112 | | |
| 241 | F | 25.7 | Very low | 28.4 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | -140.2 | 133.6 | 148.3 | -83.9 | -74.7 | 0 | 0 | 0 | 109.4 | | |
| 242 | P | 31.3 | Very low | 28.1 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -81.9 | 125.2 | -173.2 | 31.3 | -30.7 | 0 | 0 | 0 | 111.1 | | |
| 243 | V | 30.5 | Very low | 28.1 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | trans | -87.6 | 117.6 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | N245 | V243-N245 PolarHBondContact O-N 2.81Š|
| 244 | N | 29.9 | Very low | 28 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -61.6 | 116 | 171.1 | -80.6 | -25.8 | 0 | 0 | 0 | 110 | | |
| 245 | N | 27 | Very low | 28.1 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -88.1 | 103.9 | 165.3 | -90.5 | -17.9 | 0 | 0 | 0 | 108.4 | V243 | V243-N245 PolarHBondContact O-N 2.81Š|
| 246 | D | 32 | Very low | 28.1 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -150.3 | 109.8 | 158.2 | -97.7 | -39.3 | 0 | 0 | 0 | 111.3 | | |
| 247 | K | 31.1 | Very low | 27.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | | | trans | 82 | 110.7 | 138.1 | -66.5 | 174.5 | -176.8 | 170.1 | 0 | 121.9 | | |
| 248 | I | 28.3 | Very low | 28.3 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | | 79 | 108.2 | 119.5 | -59.3 | 167 | 0 | 0 | 0 | 118.5 | | |
| 249 | N | 26.3 | Very low | 28.3 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | 19.2 | 117.9 | 132.8 | -61.4 | -16.1 | 0 | 0 | 0 | 119.3 | | |
| 250 | A | 31.8 | Very low | 28.5 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -137.1 | 118.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 251 | I | 27.3 | Very low | 28.7 | Very low | 151 Ų | 151 | 136 Ų | 136 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | -83.8 | 141.4 | -176.4 | -73.2 | 163.3 | 0 | 0 | 0 | 109.5 | | |
| 252 | A | 26.1 | Very low | 29 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | 34.8 | 112.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 253 | T | 30.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | -123.3 | 100.8 | 151.9 | -23.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 254 | T | 25.2 | Very low | 28.8 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -47.4 | 129.6 | 154.6 | 21.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 255 | T | 27.1 | Very low | 28.8 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | | | trans | -166 | 112.2 | 146.4 | -7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 256 | T | 26 | Very low | 29.1 | Very low | 115 Ų | 115 | 141 Ų | 141 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | | 66.6 | 119.9 | 126.5 | 53.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 257 | S | 25.9 | Very low | 28.9 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | | | | 51.6 | 129.8 | 126.9 | 69.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 258 | I | 33.7 | Very low | 29.1 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | | | | -162.5 | 102 | 76.5 | -76.3 | 149.4 | 0 | 0 | 0 | 107 | | |
| 259 | I | 29.4 | Very low | 29.2 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 64% | 0.641 | 78% | 0.784 | S | S | * | * | | | | 15.9 | 112.9 | 108.6 | -51.5 | 176.3 | 0 | 0 | 0 | 116.2 | | |
| 260 | N | 28.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -128 | 115.8 | 138 | -112.7 | -11.9 | 0 | 0 | 0 | 109 | | |
| 261 | N | 28.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | | | trans | -73.2 | 139.9 | 172 | -70.7 | -41.1 | 0 | 0 | 0 | 109.5 | | |
| 262 | N | 32.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | -145.3 | 136.4 | 138 | -96.1 | -29.6 | 0 | 0 | 0 | 109.7 | | |
| 263 | Q | 27 | Very low | 29.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -101.3 | 129.2 | -159 | -178.5 | -179.8 | 8.9 | 0 | 0 | 108.5 | | |
| 264 | M | 30.4 | Very low | 29.2 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | | | trans | -161 | 104.7 | 140.3 | -114.8 | -170.9 | -71 | 0 | 0 | 108.4 | | |
| 265 | E | 29.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | trans | -60.6 | 150 | 160.6 | -75.9 | 170 | 118.1 | 0 | 0 | 110 | | |
| 266 | L | 33.3 | Very low | 29.4 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -168.1 | 98.6 | 131.5 | -100.4 | 152.5 | 0 | 0 | 0 | 109.8 | | |
| 267 | S | 28.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 147.1 Ų | 147.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -82.3 | 115.5 | 158 | 44 | 0 | 0 | 0 | 0 | 109.1 | | |
| 268 | K | 35.2 | Very low | 29.9 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | 179.5 | 87.7 | 157.2 | -98.5 | 170.6 | -171.5 | -174.4 | 0 | 104.8 | | |
| 269 | I | 30 | Very low | 29.9 | Very low | 149 Ų | 149 | 152.1 Ų | 152.1 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | | 40.4 | 99.2 | 95.2 | -51.6 | 176.7 | 0 | 0 | 0 | 111.1 | | |
| 270 | D | 31.4 | Very low | 30 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | | -166.2 | 137.7 | 106.1 | -103.3 | -33.3 | 0 | 0 | 0 | 112.4 | S272 | D270-S272 PolarHBondContact O-N 2.81Š|
| 271 | N | 27.2 | Very low | 30.1 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -65.4 | 112.6 | 178.8 | -69.3 | -46.1 | 0 | 0 | 0 | 110.2 | | |
| 272 | S | 28.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -140.2 | 109.4 | 160.3 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | D270 | D270-S272 PolarHBondContact O-N 2.81Š|
| 273 | S | 27.1 | Very low | 30 | Very low | 87 Ų | 87 | 151.7 Ų | 151.7 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | | | trans | 65.8 | 144.5 | 134.6 | -154.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 274 | Y | 27.2 | Very low | 30.2 | Very low | 195 Ų | 195 | 151 Ų | 151 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | 91.5 | 91.2 | 163.5 | -55.3 | -72.4 | 0 | 0 | 0 | 116.6 | | |
| 275 | D | 27.7 | Very low | 30.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | | 55.3 | 78.2 | 115 | -58.7 | -18.4 | 0 | 0 | 0 | 115.9 | P277 | D275-P277 WeakPolarHBondContact O-CD 3.5Š|
| 276 | L | 28.6 | Very low | 30.3 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -78.5 | 119.7 | 151.8 | -105.1 | 144.4 | 0 | 0 | 0 | 108.6 | I278 | L276-I278 PolarHBondContact O-N 2.93Å; L276-I278 VanDerWaalsContact O-N 3.09Å |
| 277 | P | 33 | Very low | 30.2 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -65.5 | 113.8 | 178.5 | 25.4 | -31.6 | 0 | 0 | 0 | 109.4 | D275 K279 | D275-P277 WeakPolarHBondContact O-CD 3.5Å; P277-K279 PolarHBondContact O-N 3.46Å |
| 278 | I | 29.8 | Very low | 30.3 | Very low | 154 Ų | 154 | 153 Ų | 153 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -58 | 114.2 | 167.2 | -66 | 168.3 | 0 | 0 | 0 | 107.4 | L276 | L276-I278 PolarHBondContact O-N 2.93Å; L276-I278 VanDerWaalsContact O-N 3.09Å |
| 279 | K | 32.4 | Very low | 30 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 118.7 | 158.5 | -104.8 | -179.6 | 178.4 | 174.5 | 0 | 107.8 | P277 K281 | P277-K279 PolarHBondContact O-N 3.46Å; K279-K281 PolarHBondContact O-N 2.98Å |
| 280 | D | 32 | Very low | 30 | Very low | 144 Ų | 144 | 154.6 Ų | 154.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -45.9 | 121.6 | 171.1 | -61.6 | -56.7 | 0 | 0 | 0 | 112.8 | | |
| 281 | K | 31.2 | Very low | 29.8 | Very low | 199 Ų | 199 | 155.2 Ų | 155.2 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -169.7 | 90 | 138.3 | -102.1 | 163.5 | -170.8 | -173.5 | 0 | 108.2 | K279 P283 | K279-K281 PolarHBondContact O-N 2.98Å; K281-P283 VanDerWaalsContact O-CD 3.28Å; K281-P283 WeakPolarHBondContact O-CD 3.43Å |
| 282 | T | 29.1 | Very low | 29.9 | Very low | 132 Ų | 132 | 151.1 Ų | 151.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 119 | 165.1 | 41.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 283 | P | 29.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 153 Ų | 153 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 125 | 154 | 11.3 | 8.4 | 0 | 0 | 0 | 108.4 | K281 | K281-P283 VanDerWaalsContact O-CD 3.28Å; K281-P283 WeakPolarHBondContact O-CD 3.43Å |
| 284 | I | 31.2 | Very low | 29.8 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 124.2 | 169.4 | -71.1 | 174.9 | 0 | 0 | 0 | 108.6 | | |
| 285 | N | 29.7 | Very low | 29.8 | Very low | 130 Ų | 130 | 160.1 Ų | 160.1 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 144.7 | 165.9 | -74.1 | -32.3 | 0 | 0 | 0 | 112.7 | | |
| 286 | H | 32.3 | Very low | 29.8 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -133.5 | 99.9 | 137.1 | -94.2 | -70.3 | 0 | 0 | 0 | 107.6 | | |
| 287 | E | 33.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | trans | -76.2 | 138.8 | 165.4 | -88.1 | -172.2 | 149.4 | 0 | 0 | 110.3 | | |
| 288 | L | 30 | Very low | 29.4 | Very low | 150 Ų | 150 | 157.6 Ų | 157.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -76.5 | 128 | 170.8 | -70.1 | 147.7 | 0 | 0 | 0 | 109.2 | | |
| 289 | Y | 28.4 | Very low | 29.1 | Very low | 213 Ų | 213 | 157.7 Ų | 157.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | | | trans | -138.5 | 108.7 | 147.7 | -121.6 | -91.7 | 0 | 0 | 0 | 109.4 | | |
| 290 | L | 28.9 | Very low | 28.9 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -84.6 | 124.1 | 167.6 | -77 | 155.8 | 0 | 0 | 0 | 107.6 | | |
| 291 | Q | 28.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -155.3 | 109.4 | 151.2 | -122.9 | 164.7 | -28.1 | 0 | 0 | 113.1 | | |
| 292 | S | 27.9 | Very low | 28.7 | Very low | 82 Ų | 82 | 151.3 Ų | 151.3 | 57% | 0.573 | 79% | 0.79 | S | S | * | * | | | trans | 68.6 | 111.2 | 134 | 46.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 293 | N | 27.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 152 Ų | 152 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | | 65.4 | 104.3 | 121.2 | -55.8 | -21.3 | 0 | 0 | 0 | 118.6 | | |
| 294 | Y | 26.9 | Very low | 28.4 | Very low | 240 Ų | 240 | 155.8 Ų | 155.8 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | | | trans | -119.3 | 126.2 | 140.6 | -84.7 | -80.9 | 0 | 0 | 0 | 110.8 | | |
| 295 | Q | 28.3 | Very low | 28 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -81.2 | 119.9 | -172.8 | -165.5 | 155.2 | -16.3 | 0 | 0 | 108.9 | | |
| 296 | T | 26.1 | Very low | 27.8 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | | | trans | -89.2 | 134.8 | 168.8 | 36 | 0 | 0 | 0 | 0 | 110.7 | | |
| 297 | S | 26.1 | Very low | 27.6 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 79.1 | 118.6 | 147.9 | 75.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 298 | I | 26.9 | Very low | 27.2 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | | 168.5 | 127.1 | 103.7 | -82.6 | 155.4 | 0 | 0 | 0 | 110.2 | | |
| 299 | N | 24.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | 81.1 | 137.8 | 147.8 | -82.9 | -17.3 | 0 | 0 | 0 | 125 | | |
| 300 | A | 28.2 | Very low | 27 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | trans | 94.6 | 87.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | I302 | A300-I302 PolarHBondContact O-N 2.88Š|
| 301 | N | 25.4 | Very low | 26.8 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | | 9.2 | 107.9 | 124.2 | -66.6 | -17.9 | 0 | 0 | 0 | 116.1 | | |
| 302 | I | 32.9 | Very low | 26.6 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | -132.4 | 111.9 | 146.2 | -62.5 | -177.6 | 0 | 0 | 0 | 108.1 | A300 | A300-I302 PolarHBondContact O-N 2.88Š|
| 303 | L | 25.3 | Very low | 26.6 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -58.8 | 134.5 | 160.3 | -76.6 | 124.5 | 0 | 0 | 0 | 110.1 | | |
| 304 | H | 26.7 | Very low | 26.4 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | | | | 162.2 | 142.4 | 121.7 | -98.7 | -42.7 | 0 | 0 | 0 | 111.6 | | |
| 305 | G | 24.6 | Very low | 26.4 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | trans | 118.9 | 80.5 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 306 | N | 25.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -50.6 | 150 | 151.4 | -69.8 | -33.2 | 0 | 0 | 0 | 111.1 | | |
| 307 | F | 27 | Very low | 27 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | 165.3 | 97.2 | 139.2 | -92.3 | -70.7 | 0 | 0 | 0 | 106.5 | | |
| 308 | V | 24.7 | Very low | 27 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | | | | 48 | 104.6 | 95.3 | -174 | 0 | 0 | 0 | 0 | 112.1 | | |
| 309 | N | 29.7 | Very low | 27 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 178.2 | 122.1 | 132.1 | -90.3 | -21.1 | 0 | 0 | 0 | 112.1 | | |
| 310 | S | 23.6 | Very low | 27 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | 32.5 | 129.7 | 137.4 | 57.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 311 | C | 25.8 | Very low | 27 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | 170.1 | 110 | 141.3 | -88.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 312 | T | 25 | Very low | 27 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | | 69.2 | 122.1 | 94.6 | 49.2 | 0 | 0 | 0 | 0 | 117 | | |
| 313 | T | 26.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | 74.6 | 139.3 | 131.7 | 55.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 314 | S | 25.4 | Very low | 26.7 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 88.2 | 104.3 | 135.6 | 73.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 315 | S | 27.2 | Very low | 26.6 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | | 56.2 | 113.2 | 123.2 | 63.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 316 | T | 30.6 | Very low | 27 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | | | trans | -48.1 | 175.1 | 140.2 | 42.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 317 | P | 34.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | cis | -136.1 | -173.1 | -1.9 | 24.2 | 1.5 | 0 | 0 | 0 | 114.5 | | |
| 318 | T | 27.7 | Very low | 27.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 107.7 | 128 | 135.1 | -1.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 319 | I | 26.8 | Very low | 27.6 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 68% | 0.677 | 77% | 0.771 | S | S | * | * | | | trans | 101.9 | 97.9 | 144.9 | -59.8 | 172.4 | 0 | 0 | 0 | 119.1 | | |
| 320 | M | 25.3 | Very low | 27.6 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | | 70.8 | 141.8 | 127 | -78.7 | -166.8 | -96.6 | 0 | 0 | 124 | | |
| 321 | K | 26.5 | Very low | 27.8 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | | | trans | 92.8 | 97.4 | 141.9 | -80.7 | 163.5 | -177.3 | -175.6 | 0 | 117.8 | | |
| 322 | D | 25.9 | Very low | 28 | Very low | 155 Ų | 155 | 134.3 Ų | 134.3 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | | 27.7 | 110.7 | 114 | -57.4 | -23.7 | 0 | 0 | 0 | 116.5 | | |
| 323 | S | 28.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -169.4 | 120.2 | 134 | 30 | 0 | 0 | 0 | 0 | 112 | | |
| 324 | C | 22.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 65.6 | 96.6 | 130.4 | -56.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 325 | C | 26.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | 14.9 | 127.5 | 115.9 | -55.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 326 | L | 31.4 | Very low | 29 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 97% | 0.969 | 79% | 0.794 | S | S | * | * | | | trans | -145.3 | 136.9 | 132.4 | -101.2 | 168.5 | 0 | 0 | 0 | 110.3 | | |
| 327 | K | 28.6 | Very low | 28.9 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -121.4 | 126.6 | -164.4 | -173.3 | 172.4 | -173.4 | 176.6 | 0 | 105.7 | | |
| 328 | S | 30.7 | Very low | 28.7 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -109.1 | 97.4 | 172.8 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 329 | N | 30.7 | Very low | 28.6 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | 26.4 | 98.1 | 138.8 | -55.7 | -16.4 | 0 | 0 | 0 | 118.8 | | |
| 330 | S | 30.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | trans | -76.1 | 122.2 | 149.3 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | C332 | S330-C332 PolarHBondContact O-N 2.86Š|
| 331 | E | 28.2 | Very low | 29 | Very low | 200 Ų | 200 | 147 Ų | 147 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | trans | -72 | 100.8 | 150.6 | -91.5 | -179.2 | 151.8 | 0 | 0 | 107.4 | | |
| 332 | C | 29.9 | Very low | 29 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | trans | -108.1 | 110.6 | 163.5 | -119 | 0 | 0 | 0 | 0 | 106.5 | S330 | S330-C332 PolarHBondContact O-N 2.86Š|
| 333 | V | 31.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | | | trans | -63.2 | 132.7 | 168.1 | 171.2 | 0 | 0 | 0 | 0 | 109 | I335 | V333-I335 PolarHBondContact O-N 2.63Š|
| 334 | D | 30.9 | Very low | 29.3 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | trans | -47.9 | 118.9 | 175 | -70.1 | -55.2 | 0 | 0 | 0 | 113.2 | | |
| 335 | I | 31.4 | Very low | 29.7 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -135.3 | 127.3 | 140.9 | -58.6 | -176.4 | 0 | 0 | 0 | 108 | V333 N337 | V333-I335 PolarHBondContact O-N 2.63Å; I335-N337 PolarHBondContact O-N 2.68Å |
| 336 | P | 31.3 | Very low | 29.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -66.3 | 121.2 | -168.4 | 23.1 | -33.2 | 0 | 0 | 0 | 113.6 | A338 | P336-A338 PolarHBondContact O-N 2.82Š|
| 337 | N | 26.9 | Very low | 29.8 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | trans | -72.4 | 101.5 | 161.9 | -92.3 | -39.6 | 0 | 0 | 0 | 110.1 | I335 | I335-N337 PolarHBondContact O-N 2.68Š|
| 338 | A | 30.4 | Very low | 30.1 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -150.9 | 64.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P336 | P336-A338 PolarHBondContact O-N 2.82Š|
| 339 | M | 26.4 | Very low | 30.2 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 97% | 0.966 | 80% | 0.798 | S | S | * | * | | | trans | -158.2 | 110 | 139.4 | -121.7 | 162.9 | 177.3 | 0 | 0 | 110.7 | | |
| 340 | K | 29.6 | Very low | 30.3 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -101.4 | 134.1 | -172.8 | -117.3 | 175 | 168.4 | -166.3 | 0 | 108.4 | | |
| 341 | Y | 31.1 | Very low | 30.1 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 62% | 0.624 | 80% | 0.803 | S | S | * | * | | | trans | 77 | 99.6 | 156.6 | -54.3 | -66.8 | 0 | 0 | 0 | 118.7 | | |
| 342 | S | 26.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | | | | -122.8 | 109.8 | 127.2 | -70.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 343 | D | 31.4 | Very low | 30 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 66% | 0.658 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 123.2 | -180 | -65.9 | -46.4 | 0 | 0 | 0 | 110.6 | | |
| 344 | S | 29.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 158.5 Ų | 158.5 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -152.7 | 59.5 | 165 | -63.6 | 0 | 0 | 0 | 0 | 108.8 | V346 | S344-V346 PolarHBondContact O-N 2.82Š|
| 345 | F | 30.6 | Very low | 29.7 | Very low | 204 Ų | 204 | 159.7 Ų | 159.7 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -86.5 | 104.5 | 170.6 | -82.1 | -78.3 | 0 | 0 | 0 | 109.8 | | |
| 346 | V | 31.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -66.4 | 132.4 | 164.8 | 171.1 | 0 | 0 | 0 | 0 | 108.8 | S344 L348 | S344-V346 PolarHBondContact O-N 2.82Å; V346-L348 PolarHBondContact O-N 3.27Å |
| 347 | L | 29.8 | Very low | 30.1 | Very low | 167 Ų | 167 | 159.6 Ų | 159.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -52.7 | 123 | 167.4 | -87.6 | 99.1 | 0 | 0 | 0 | 110.5 | | |
| 348 | L | 34.9 | Very low | 30.1 | Very low | 163 Ų | 163 | 161.5 Ų | 161.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -114.9 | 103.9 | 157.2 | -89.8 | 164.7 | 0 | 0 | 0 | 109.6 | V346 K350 | V346-L348 PolarHBondContact O-N 3.27Å; L348-K350 PolarHBondContact O-N 2.89Å |
| 349 | D | 31 | Very low | 30.1 | Very low | 112 Ų | 112 | 163.6 Ų | 163.6 | 60% | 0.599 | 80% | 0.796 | S | S | * | * | | | trans | -32.1 | 112.3 | 158.4 | -169.2 | 12.8 | 0 | 0 | 0 | 112.8 | R351 | D349-R351 PolarHBondContact OD1-N 3.46Š|
| 350 | K | 33.2 | Very low | 30.3 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | -113.6 | 83.8 | 159.3 | -82.1 | -165.1 | 178.2 | -175.7 | 0 | 109.2 | L348 | L348-K350 PolarHBondContact O-N 2.89Š|
| 351 | R | 26.1 | Very low | 30.2 | Very low | 201 Ų | 201 | 160.6 Ų | 160.6 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -57.8 | 132.1 | 146.5 | -76.6 | 171.2 | 157.5 | 153.1 | -5.9 | 110 | D349 | D349-R351 PolarHBondContact OD1-N 3.46Š|
| 352 | Q | 31 | Very low | 30.2 | Very low | 178 Ų | 178 | 159 Ų | 159 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | 161.8 | 94.5 | 140 | -88.5 | 167.4 | 35 | 0 | 0 | 106.8 | | |
| 353 | Q | 25.7 | Very low | 30.2 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | | 64.6 | 94 | 72.6 | -162.7 | 179 | 4.8 | 0 | 0 | 111.3 | | |
| 354 | Y | 30 | Very low | 30 | Very low | 236 Ų | 236 | 157.2 Ų | 157.2 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | | | trans | -163.7 | 119 | 133.5 | -100.1 | -73.7 | 0 | 0 | 0 | 109.5 | | |
| 355 | Q | 26.1 | Very low | 29.9 | Very low | 176 Ų | 176 | 159.5 Ų | 159.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -82.5 | -164.5 | 166.2 | -58.1 | -164.3 | -28.6 | 0 | 0 | 109.7 | | |
| 356 | P | 40.6 | Very low | 29.8 | Very low | 102 Ų | 102 | 160.7 Ų | 160.7 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | cis | -129.8 | 155 | -25.8 | 17.1 | 5.6 | 0 | 0 | 0 | 112.2 | | |
| 357 | L | 29.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 159.5 Ų | 159.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -128.1 | 105.6 | 160.2 | -117.6 | 101.6 | 0 | 0 | 0 | 112.1 | | |
| 358 | Y | 27.9 | Very low | 29.7 | Very low | 211 Ų | 211 | 160.1 Ų | 160.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | 55.6 | 116.1 | 133.4 | -90.5 | -94.7 | 0 | 0 | 0 | 121.8 | | |
| 359 | N | 30.5 | Very low | 29.4 | Very low | 137 Ų | 137 | 157.3 Ų | 157.3 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | -69.6 | 135 | 164.9 | -174.6 | 13.4 | 0 | 0 | 0 | 112 | | |
| 360 | P | 29.9 | Very low | 29.2 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | | | trans | -127.1 | 129.5 | 150.8 | 30.7 | -14.9 | 0 | 0 | 0 | 111.5 | T362 | P360-T362 PolarHBondContact O-N 3.03Š|
| 361 | F | 29 | Very low | 28.9 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | -31.7 | 128.1 | 161 | -70.3 | -96.1 | 0 | 0 | 0 | 113.1 | | |
| 362 | T | 30.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | trans | -178.2 | 109.7 | 137 | 29.6 | 0 | 0 | 0 | 0 | 110.9 | P360 | P360-T362 PolarHBondContact O-N 3.03Š|
| 363 | S | 25.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | 64.6 | 140.6 | 143.6 | 61.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 364 | S | 26.9 | Very low | 28.7 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | trans | 74.8 | 64.4 | 166.3 | 70.2 | 0 | 0 | 0 | 0 | 116.1 | Y366 | S364-Y366 PolarHBondContact O-N 2.94Š|
| 365 | I | 28.3 | Very low | 28.6 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | trans | -66.2 | 79.7 | 153.3 | -51.3 | 171 | 0 | 0 | 0 | 107 | S367 | I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.73Å |
| 366 | Y | 27.1 | Very low | 28.6 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | -85.4 | 75.7 | 156.7 | -112.4 | -85.1 | 0 | 0 | 0 | 106.4 | S364 | S364-Y366 PolarHBondContact O-N 2.94Š|
| 367 | S | 27.1 | Very low | 27.9 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -170.8 | 64.1 | 161.5 | -163.7 | 0 | 0 | 0 | 0 | 108.7 | I365 V369 | I365-S367 VanDerWaalsContact C-N 3.26Å; I365-S367 PolarHBondContact O-N 2.73Å; S367-V369 PolarHBondContact O-N 2.9Å |
| 368 | E | 32.5 | Very low | 27.8 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -78.9 | 105.7 | 162.6 | -84.1 | -171.2 | 166.5 | 0 | 0 | 109.3 | | |
| 369 | V | 29.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 145 Ų | 145 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | | | trans | 63.7 | 93.8 | 130.4 | -165.2 | 0 | 0 | 0 | 0 | 115.7 | S367 S371 | S367-V369 PolarHBondContact O-N 2.9Å; V369-S371 WeakPolarHBondContact CG1-OG 3.5Å; V369-S371 PolarHBondContact O-N 3.3Å; V369-S371 VanDerWaalsContact O-N 3.08Å |
| 370 | C | 25.7 | Very low | 27.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 92% | 0.919 | 78% | 0.782 | S | S | * | * | | | trans | -48.5 | 109.8 | 145.8 | -154.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 371 | S | 27.1 | Very low | 27.8 | Very low | 90 Ų | 90 | 147 Ų | 147 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | -151 | 118 | 163.5 | -77.9 | 0 | 0 | 0 | 0 | 108.9 | V369 C373 | V369-S371 WeakPolarHBondContact CG1-OG 3.5Å; V369-S371 PolarHBondContact O-N 3.3Å; V369-S371 VanDerWaalsContact O-N 3.08Å; S371-C373 PolarHBondContact O-N 3.44Å |
| 372 | K | 26.5 | Very low | 27.7 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -29.8 | 111 | 166.7 | -84.2 | 165.3 | 165.9 | 172.6 | 0 | 111.4 | C374 | K372-C374 PolarHBondContact O-N 3.29Š|
| 373 | C | 26.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 90% | 0.899 | 78% | 0.782 | S | S | * | * | | | trans | -68.5 | 91.2 | 151.7 | -69.2 | 0 | 0 | 0 | 0 | 107.4 | S371 | S371-C373 PolarHBondContact O-N 3.44Š|
| 374 | C | 25.9 | Very low | 27.9 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 66% | 0.655 | 78% | 0.776 | S | S | * | * | | | trans | -109.1 | 148 | 134.8 | -72.4 | 0 | 0 | 0 | 0 | 105.6 | K372 | K372-C374 PolarHBondContact O-N 3.29Š|
| 375 | F | 26.9 | Very low | 28 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | 96.9 | 72.5 | -175.9 | -52.6 | -68.5 | 0 | 0 | 0 | 116 | | |
| 376 | T | 27.8 | Very low | 28 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | | -118 | 105.9 | 128.5 | 33.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 377 | Y | 24.5 | Very low | 27.9 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | | 74.3 | 118.9 | 82.8 | -103.9 | -87.4 | 0 | 0 | 0 | 113.9 | | |
| 378 | D | 26.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -42.5 | 140.8 | 176.2 | -67.5 | -69.7 | 0 | 0 | 0 | 115.6 | | |
| 379 | N | 29.8 | Very low | 27.7 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | | | trans | -144.5 | 114.8 | 130.3 | -117.9 | -17.9 | 0 | 0 | 0 | 110.2 | | |
| 380 | N | 27 | Very low | 27.6 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | | | trans | -77.1 | 146 | -179.1 | -78.4 | -58 | 0 | 0 | 0 | 111.9 | | |
| 381 | N | 31.3 | Very low | 27.9 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | | | trans | 176.9 | 84 | 141.8 | -89.9 | -16 | 0 | 0 | 0 | 104.9 | | |
| 382 | N | 28.6 | Very low | 27.9 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | | | | 52.5 | 87.7 | 75.1 | -145.5 | 27.6 | 0 | 0 | 0 | 111.3 | | |
| 383 | D | 33.3 | Very low | 27.9 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -172.9 | 92.2 | 140.7 | -86.6 | -29.5 | 0 | 0 | 0 | 106.2 | | |
| 384 | N | 26.2 | Very low | 28.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | | | | 61.3 | 132.4 | 90.6 | -79.2 | -33.5 | 0 | 0 | 0 | 114 | | |
| 385 | N | 28.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | | | trans | 92.4 | 90.6 | 166 | -48.8 | -36.3 | 0 | 0 | 0 | 113.7 | | |
| 386 | Q | 28.4 | Very low | 28.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | | 41.9 | 97.8 | 86 | -70.6 | -169 | 9.6 | 0 | 0 | 112.2 | | |
| 387 | S | 26.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | -173.1 | 129.8 | 152.4 | -110.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 388 | T | 24.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | | | trans | 54.3 | 111 | 140.9 | 59.3 | 0 | 0 | 0 | 0 | 116 | | |
| 389 | V | 30.4 | Very low | 28.6 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | | | | -162.7 | 111.8 | 62.9 | 167.1 | 0 | 0 | 0 | 0 | 108.4 | T391 | V389-T391 HydrophobicContact CG1-CG2 4.02Å; V389-T391 VanDerWaalsContact CG1-OG1 3.22Å; V389-T391 WeakPolarHBondContact CG1-OG1 3.35Å |
| 390 | T | 27.3 | Very low | 28.3 | Very low | 139 Ų | 139 | 132 Ų | 132 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | trans | -75.2 | 111.6 | 143.1 | 37.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 391 | T | 32.4 | Very low | 28.3 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | trans | -148.6 | 94.1 | 153.4 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | V389 | V389-T391 HydrophobicContact CG1-CG2 4.02Å; V389-T391 VanDerWaalsContact CG1-OG1 3.22Å; V389-T391 WeakPolarHBondContact CG1-OG1 3.35Å |
| 392 | N | 25.8 | Very low | 28 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | 59.3 | 92.2 | 125.8 | -57 | -14.1 | 0 | 0 | 0 | 118.3 | | |
| 393 | S | 26.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -41.8 | 150.7 | 145 | -43.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 394 | P | 31.6 | Very low | 27.5 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | | -144.4 | 147 | 108.3 | 33.8 | -17.6 | 0 | 0 | 0 | 115.4 | | |
| 395 | N | 28.3 | Very low | 27.7 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | 55.2 | 108.8 | 149.3 | -61.4 | -29.4 | 0 | 0 | 0 | 119.5 | | |
| 396 | L | 28.4 | Very low | 27.6 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | | 85.7 | 114.4 | 64.4 | -82.8 | 169.3 | 0 | 0 | 0 | 114 | | |
| 397 | L | 32.2 | Very low | 28 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 41.2 | 110.2 | 156.7 | -66.4 | 166.8 | 0 | 0 | 0 | 117.2 | | |
| 398 | V | 28.1 | Very low | 28 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | 163.4 | 136 | 144.4 | 154.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 399 | N | 24.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 54.9 | 115 | 163.1 | -74.2 | -20 | 0 | 0 | 0 | 120.2 | | |
| 400 | S | 25 | Very low | 28.2 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | | 70.9 | 125.3 | 62.4 | -55.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 401 | L | 25.6 | Very low | 28.7 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | 94.2 | 98.3 | 161.3 | -57.1 | 156.8 | 0 | 0 | 0 | 115.1 | | |
| 402 | S | 24.8 | Very low | 28.5 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | | 76.2 | 98.9 | 89.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | | |
| 403 | Y | 27.7 | Very low | 28.6 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 94% | 0.941 | 78% | 0.775 | S | S | * | * | | | trans | -150.5 | 116.8 | 141.2 | -100.4 | -76.8 | 0 | 0 | 0 | 110.5 | | |
| 404 | S | 24.9 | Very low | 28.7 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -63.1 | 140.2 | 167.2 | -40.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 405 | C | 30.7 | Very low | 28.5 | Very low | 127 Ų | 127 | 145 Ų | 145 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | | | trans | -138.8 | 111.8 | 154.7 | -89.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 406 | E | 26.1 | Very low | 28.7 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -64.8 | 135.8 | 167.6 | -61 | -178 | 155.2 | 0 | 0 | 109.8 | | |
| 407 | I | 35.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -130.1 | 111 | 155.2 | -63 | -179.2 | 0 | 0 | 0 | 107.9 | | |
| 408 | K | 28.2 | Very low | 28.6 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 61% | 0.613 | 80% | 0.796 | S | S | * | * | | | trans | -88.1 | 162.8 | 170.3 | -68.9 | 173.7 | 176 | 164.1 | 0 | 110 | | |
| 409 | H | 29 | Very low | 28.9 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 78 | 145 | 163.9 | -52.2 | -75.9 | 0 | 0 | 0 | 115.5 | | |
| 410 | S | 29 | Very low | 29.1 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | cis | -178.5 | 170.4 | -14 | -101.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 411 | P | 37.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 149.5 Ų | 149.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -92.7 | 151.7 | -136.5 | 35.2 | -35.2 | 0 | 0 | 0 | 116 | | |
| 412 | G | 28.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 151.1 Ų | 151.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -86.7 | 139.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 413 | R | 29.6 | Very low | 29.9 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | 73.1 | 105.8 | 139.5 | -80.2 | -174.8 | 172.3 | -163.2 | -2 | 121.2 | | |
| 414 | K | 27.7 | Very low | 29.9 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -49.3 | 140.1 | 143.2 | -56.9 | 174 | 176.8 | -179.9 | 0 | 112.7 | | |
| 415 | T | 28 | Very low | 30.1 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | -157.1 | 119.1 | 142.6 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 416 | N | 31.1 | Very low | 30.2 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | | | trans | -140.1 | 138.1 | 157.1 | -98.9 | -17.2 | 0 | 0 | 0 | 108.8 | | |
| 417 | K | 33 | Very low | 30.4 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | | | trans | -84 | 154.6 | -170.4 | -74.4 | 173.6 | 171.2 | 178.3 | 0 | 112.7 | | |
| 418 | S | 27.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -49.2 | 149.7 | 160.9 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 419 | P | 34.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | | -143.8 | 145.5 | 89.9 | 32.2 | -13.1 | 0 | 0 | 0 | 113.3 | | |
| 420 | N | 28.5 | Very low | 30.5 | Very low | 135 Ų | 135 | 153 Ų | 153 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | | 79.3 | 114.6 | 72 | -120.9 | 31 | 0 | 0 | 0 | 116.3 | | |
| 421 | E | 31.1 | Very low | 30.8 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 73% | 0.729 | 82% | 0.822 | S | S | * | * | | | trans | 73.4 | 103.5 | 143 | -70.6 | 169 | -179.3 | 0 | 0 | 123 | | |
| 422 | Q | 26.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | | 33.8 | 104.9 | 125.8 | -64.8 | -175.6 | 4.3 | 0 | 0 | 120.4 | | |
| 423 | I | 34.4 | Very low | 30.6 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -149.9 | 135.4 | 146 | -51.4 | -179.4 | 0 | 0 | 0 | 110.5 | | |
| 424 | S | 27.1 | Very low | 30.7 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | 87.1 | 115.6 | 153.7 | -123.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 425 | Y | 28.5 | Very low | 30.8 | Very low | 212 Ų | 212 | 148.3 Ų | 148.3 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -95.4 | 148.1 | 155.2 | -80.7 | -88.8 | 0 | 0 | 0 | 108.4 | | |
| 426 | P | 33 | Very low | 31 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | | -147.9 | 156 | 74.1 | 34.1 | -12.7 | 0 | 0 | 0 | 116.7 | | |
| 427 | N | 30.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | -71.9 | 139.8 | 173 | -88.9 | -38.7 | 0 | 0 | 0 | 112.7 | | |
| 428 | M | 32.3 | Very low | 30.5 | Very low | 175 Ų | 175 | 139 Ų | 139 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | | | trans | -159.1 | 136.8 | 142.5 | -104.5 | -166.4 | 68.4 | 0 | 0 | 112.2 | | |
| 429 | V | 33.6 | Very low | 30.4 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 88.4 | 96 | 166.8 | -162.3 | 0 | 0 | 0 | 0 | 118 | | |
| 430 | K | 29.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 141 Ų | 141 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -43.1 | 135.4 | 155 | -81.9 | 168.3 | 162.9 | 172.3 | 0 | 113.2 | | |
| 431 | V | 35.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | -119.1 | 114.1 | 136.4 | 176.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 432 | N | 31.2 | Very low | 30.1 | Very low | 116 Ų | 116 | 139 Ų | 139 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | | | trans | -73.1 | 140.2 | 175.6 | -72.3 | -9.9 | 0 | 0 | 0 | 109.9 | | |
| 433 | G | 30.7 | Very low | 30.4 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -154.6 | 66.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 434 | D | 30.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | trans | 34.9 | 123.3 | 137.9 | -69.5 | -9.2 | 0 | 0 | 0 | 121.5 | | |
| 435 | F | 30.5 | Very low | 30.3 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | trans | 64.8 | 132.5 | 147.7 | -72.9 | -110.4 | 0 | 0 | 0 | 117.3 | | |
| 436 | T | 32 | Very low | 30.7 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | | | cis | -163.7 | 145.4 | 9.3 | 26 | 0 | 0 | 0 | 0 | 109.4 | | |
| 437 | T | 26.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | | | trans | 22.4 | 123.7 | 135.2 | -27.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 438 | G | 27.9 | Very low | 30.7 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | | | trans | 146.6 | 86.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 439 | H | 25.8 | Very low | 30.6 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | | 56.7 | 134.4 | 91.8 | -91.2 | -24.4 | 0 | 0 | 0 | 113.6 | | |
| 440 | N | 29.5 | Very low | 30.4 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | | | cis | -165.3 | 134.2 | 9.1 | -102.3 | -35.8 | 0 | 0 | 0 | 105.2 | | |
| 441 | N | 29.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | | | | 63.4 | 110.7 | 80.1 | -68.5 | -30.4 | 0 | 0 | 0 | 115.9 | | |
| 442 | N | 27.7 | Very low | 31.3 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | | 76.1 | 147.8 | 127.1 | -69.9 | -23.2 | 0 | 0 | 0 | 122.3 | | |
| 443 | H | 33.9 | Very low | 31.2 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | | | trans | 104 | 103 | 153 | -52.1 | -66.5 | 0 | 0 | 0 | 114.1 | | |
| 444 | Q | 29.9 | Very low | 31.3 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | | 57.5 | 111.8 | 73.5 | -83.7 | -170 | 0.7 | 0 | 0 | 114.3 | | |
| 445 | L | 29.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | 84.1 | 133.5 | 130.2 | -123.3 | 81.6 | 0 | 0 | 0 | 120 | | |
| 446 | I | 36.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | | | trans | 114.9 | 106.3 | 146.7 | -58.4 | 154.2 | 0 | 0 | 0 | 115.3 | L448 | I446-L448 HydrophobicContact CG2-CD1 4.23Š|
| 447 | T | 27.3 | Very low | 31.5 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | trans | -58.4 | 130 | 154.6 | -52.3 | 0 | 0 | 0 | 0 | 111 | | |
| 448 | L | 36.4 | Very low | 31.8 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -163.1 | 134.2 | 147.1 | -105.8 | 135.3 | 0 | 0 | 0 | 110.8 | I446 | I446-L448 HydrophobicContact CG2-CD1 4.23Š|
| 449 | D | 29 | Very low | 31.9 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | | | trans | -68 | 156.7 | 178.4 | -77.1 | -56.5 | 0 | 0 | 0 | 113.8 | | |
| 450 | A | 29 | Very low | 32.7 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | 100.2 | 144.9 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 451 | P | 45.1 | Very low | 32.8 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | trans | -99.1 | 172.8 | -156.1 | 44.9 | -36.2 | 0 | 0 | 0 | 111 | | |
| 452 | P | 39.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | | -160.5 | 152.6 | 62.1 | 40.8 | -17.5 | 0 | 0 | 0 | 119.6 | | |
| 453 | T | 28.3 | Very low | 33.6 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | 56.7 | 172.9 | 143.4 | 54.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 454 | P | 33.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | | -119.4 | 179 | -60.2 | 34.9 | -17.7 | 0 | 0 | 0 | 112.5 | | |
| 455 | S | 30 | Very low | 33.9 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -42.9 | 172.2 | 165.2 | 45.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 456 | P | 34.6 | Very low | 34 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | cis | -147.5 | -167.3 | 24 | 39.6 | -16.5 | 0 | 0 | 0 | 116.2 | | |
| 457 | S | 31.9 | Very low | 33.9 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | 77.4 | 147.9 | 150.3 | 79.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 458 | N | 31.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | cis | -164.7 | 134.8 | 1.6 | -107.7 | -23.4 | 0 | 0 | 0 | 106.3 | | |
| 459 | I | 30.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | 18.5 | 149.9 | 120.3 | -57.1 | 172.7 | 0 | 0 | 0 | 115.8 | | |
| 460 | P | 42.5 | Very low | 34.5 | Very low | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | | | cis | -148.8 | 171.8 | 22.5 | 14.1 | 15.4 | 0 | 0 | 0 | 119.9 | | |
| 461 | N | 30.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | trans | 48.8 | 130.8 | 130.5 | -52 | -15.5 | 0 | 0 | 0 | 122 | | |
| 462 | D | 39 | Very low | 34.4 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | | -170.6 | 151.2 | 99.5 | -89.3 | -26.5 | 0 | 0 | 0 | 112.6 | | |
| 463 | H | 36.1 | Very low | 34 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | trans | 83.9 | 97.7 | -166.7 | -67.2 | -71.4 | 0 | 0 | 0 | 114.8 | | |
| 464 | I | 35.4 | Very low | 34 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 72% | 0.718 | 73% | 0.727 | S | S | * | * | | | cis | 57.8 | 95.4 | 36.8 | -48.1 | 178.6 | 0 | 0 | 0 | 113.8 | | |
| 465 | S | 34.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | -175.3 | 118.9 | 103.3 | 71.3 | 0 | 0 | 0 | 0 | 114 | | |
| 466 | N | 32.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | | 70.7 | 134.1 | 129.2 | -66.4 | -13.1 | 0 | 0 | 0 | 125.2 | | |
| 467 | N | 34.7 | Very low | 33.8 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | trans | 85.7 | 136.9 | 153.3 | -69.6 | 1.4 | 0 | 0 | 0 | 117.5 | | |
| 468 | S | 34.6 | Very low | 33.6 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | | | cis | 170.1 | 150.2 | -17.2 | 40.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 469 | N | 36.8 | Very low | 33.7 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | trans | 88.5 | 141.3 | 170.5 | -50.3 | -22.7 | 0 | 0 | 0 | 116.6 | | |
| 470 | I | 34.5 | Very low | 33.5 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | | | cis | 177.1 | 129.5 | -24.3 | -103.8 | 157.9 | 0 | 0 | 0 | 103.4 | | |
| 471 | V | 36.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | | | trans | 49.7 | 130.7 | 136.3 | -169.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 472 | D | 34.5 | Very low | 32.8 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | cis | -168 | 161.4 | 50 | -146 | -11.5 | 0 | 0 | 0 | 114.4 | | |
| 473 | L | 30.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | trans | -21.6 | 151.3 | 159.9 | -85.9 | 40.8 | 0 | 0 | 0 | 116.4 | | |
| 474 | G | 28.7 | Very low | 32.2 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | cis | 163.2 | 163.2 | 25.8 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 475 | Q | 31.8 | Very low | 32 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | cis | -179.1 | 135 | 37.1 | -125.1 | -177.7 | 20.3 | 0 | 0 | 106.7 | | |
| 476 | T | 28.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | trans | 53.6 | 137.4 | 133 | 36.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 477 | Q | 33.2 | Very low | 32.4 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | cis | -155.1 | 130.6 | 19.5 | -56.1 | -178.4 | -49.9 | 0 | 0 | 106.4 | | |
| 478 | N | 27.8 | Very low | 32.2 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | | 37.2 | 116.2 | 83.4 | -74.3 | -10.1 | 0 | 0 | 0 | 117.1 | | |
| 479 | N | 33.8 | Very low | 32.1 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | | 165.4 | 104.6 | 124.5 | -77.9 | -15.6 | 0 | 0 | 0 | 107.5 | | |
| 480 | S | 28.3 | Very low | 31.9 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | | 59.5 | 117.9 | 62.2 | 80.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 481 | S | 29.2 | Very low | 31.7 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | | 118.1 | 127.5 | 123.3 | 78.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 482 | C | 28.5 | Very low | 31.5 | Very low | 111 Ų | 111 | 139 Ų | 139 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | | | trans | 73.1 | 108.5 | 140.8 | -61.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 483 | N | 28.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | | 63.7 | 106.3 | 85.1 | -82.6 | -9.4 | 0 | 0 | 0 | 114.4 | | |
| 484 | S | 34.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | | 171.9 | 150 | 116.8 | -79.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 485 | L | 29.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -90.7 | 140.5 | -166.3 | -70 | 153.8 | 0 | 0 | 0 | 113 | | |
| 486 | R | 33.2 | Very low | 31.3 | Very low | 229 Ų | 229 | 137.4 Ų | 137.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | 62.1 | 163.6 | 145.5 | -92.2 | -179.8 | 173.2 | 165.3 | -1.5 | 119.1 | | |
| 487 | P | 41.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -130 | -175.5 | -3.9 | 34.1 | -12.7 | 0 | 0 | 0 | 114.6 | | |
| 488 | D | 30.2 | Very low | 31.3 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -42.9 | 140.7 | -179 | -53 | -66.9 | 0 | 0 | 0 | 117.7 | | |
| 489 | S | 33.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -157.5 | 117.9 | 142.6 | -83.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 490 | L | 32.8 | Very low | 31.2 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -67.4 | 134.4 | 164.1 | -64 | 164.5 | 0 | 0 | 0 | 108.9 | | |
| 491 | L | 29.5 | Very low | 31.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | 141.6 | 113.1 | 148.3 | -96.5 | 82.7 | 0 | 0 | 0 | 109.3 | | |
| 492 | S | 32.8 | Very low | 31.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | | 179 | 106.3 | 123.2 | -79.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 493 | T | 28.9 | Very low | 31.7 | Very low | 137 Ų | 137 | 144 Ų | 144 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -25 | 127.4 | 142.2 | 28.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 494 | S | 30.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | | | trans | -142.3 | 100.9 | 149.1 | -123.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 495 | T | 29.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | | | trans | -65.3 | 133.8 | 159.2 | 33 | 0 | 0 | 0 | 0 | 111.7 | | |
| 496 | T | 32.2 | Very low | 31.8 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | -154.2 | 88.4 | 151.1 | -53.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 497 | I | 29.1 | Very low | 31.5 | Very low | 137 Ų | 137 | 134 Ų | 134 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | | | | 35.4 | 101.2 | 83.4 | -47.6 | -179.2 | 0 | 0 | 0 | 114.6 | | |
| 498 | T | 32.9 | Very low | 31.2 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -128.1 | 96.2 | 146.2 | -48.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 499 | T | 31.1 | Very low | 31.3 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 61% | 0.607 | 80% | 0.803 | S | S | * | * | | | trans | 18.8 | 113.2 | 134.6 | 49.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 500 | T | 29 | Very low | 31.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | | | | 79.6 | 110.7 | 73.9 | 57.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 501 | T | 33.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -161.5 | 100.7 | 141.9 | 26.7 | 0 | 0 | 0 | 0 | 106 | | |
| 502 | R | 26.7 | Very low | 31.5 | Very low | 232 Ų | 232 | 133.9 Ų | 133.9 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | | 42 | 119.4 | 86.9 | -115.8 | -176.2 | 170.9 | 122.8 | -0.2 | 111.4 | | |
| 503 | E | 35.5 | Very low | 31.4 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | | -163.2 | 122.4 | 59.6 | -72.2 | 178 | 163.7 | 0 | 0 | 109.8 | | |
| 504 | S | 28.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | | 43.4 | 111.5 | 105.8 | 53.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 505 | S | 34.6 | Very low | 31.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -162 | 110.4 | 146.8 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 506 | C | 33 | Very low | 32 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | 38.5 | 125.5 | 145.7 | -55.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 507 | S | 27.2 | Very low | 32.1 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -47.1 | 139.5 | 157.8 | -40.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 508 | D | 35.9 | Very low | 32.5 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | | | trans | -128.1 | 120.6 | 147.6 | -104.5 | -29.6 | 0 | 0 | 0 | 109.7 | | |
| 509 | L | 31.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | | | trans | -80.9 | 129.1 | 179.6 | -69.7 | 154 | 0 | 0 | 0 | 108.9 | | |
| 510 | S | 34 | Very low | 32.7 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -179.9 | 97.1 | 137.2 | -85.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 511 | P | 33.7 | Very low | 32.9 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | | | trans | -129.2 | 110.5 | 147.7 | 31.3 | -16.4 | 0 | 0 | 0 | 109 | | |
| 512 | N | 31.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -166.2 | 112.8 | 161.4 | -90.4 | -29.8 | 0 | 0 | 0 | 110.7 | | |
| 513 | S | 32 | Very low | 32.8 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | -155.2 | 82.6 | 148.1 | -75.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 514 | M | 30.1 | Very low | 32.3 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | | | trans | -74.1 | 134 | 167.1 | -63.7 | 175.1 | 62.6 | 0 | 0 | 108.7 | | |
| 515 | S | 35.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -134.5 | 103.8 | 160.6 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 516 | S | 35.5 | Very low | 32.5 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | 0.4 | 108.9 | 158.1 | 50.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 517 | H | 34.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -91.4 | 107.2 | 145.4 | -96.1 | -80.8 | 0 | 0 | 0 | 108.1 | S519 | H517-S519 PolarHBondContact O-N 2.98Š|
| 518 | D | 35.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -61.8 | 101.1 | 165.1 | -103.9 | -29.6 | 0 | 0 | 0 | 108.5 | | |
| 519 | S | 36.4 | Very low | 31.8 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -102.6 | 124.3 | 166.8 | -67.8 | 0 | 0 | 0 | 0 | 108.9 | H517 | H517-S519 PolarHBondContact O-N 2.98Š|
| 520 | A | 32.1 | Very low | 32 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -48 | 133 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G522 | A520-G522 PolarHBondContact O-N 3.14Å; A520-G522 VanDerWaalsContact O-N 3.11Å |
| 521 | L | 33.8 | Very low | 31.8 | Very low | 177 Ų | 177 | 126.7 Ų | 126.7 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | | | trans | 37.6 | 64.9 | 137.6 | -70.2 | 160.5 | 0 | 0 | 0 | 115.5 | G523 | L521-G523 PolarHBondContact O-N 2.87Š|
| 522 | G | 29.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | | | trans | -77.2 | 100 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A520 | A520-G522 PolarHBondContact O-N 3.14Å; A520-G522 VanDerWaalsContact O-N 3.11Å |
| 523 | G | 27.9 | Very low | 31.8 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -67.5 | 149 | 161 | 0 | 0 | 0 | 0 | 0 | 110.9 | L521 | L521-G523 PolarHBondContact O-N 2.87Š|
| 524 | G | 25.9 | Very low | 31.7 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 131.8 | 97.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 525 | K | 33.3 | Very low | 31.6 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -150.8 | 112.9 | 157.8 | -90.2 | -162.4 | 172.9 | -175.5 | 0 | 110.1 | | |
| 526 | F | 32.5 | Very low | 31.4 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 69% | 0.693 | 78% | 0.783 | S | S | * | * | | | trans | 67.3 | 141.7 | 138.9 | -56.6 | -57.7 | 0 | 0 | 0 | 117.1 | | |
| 527 | Q | 26.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | cis | -173.3 | 162.4 | -0.9 | -135.1 | 164.2 | -27.2 | 0 | 0 | 105.4 | | |
| 528 | S | 27.7 | Very low | 30.7 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | | | trans | 81 | 113.4 | 146.3 | -62.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 529 | D | 28.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 126.3 Ų | 126.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | | 73.3 | 95.4 | 126.1 | -55.9 | -28.5 | 0 | 0 | 0 | 119.2 | | |
| 530 | S | 35.4 | Very low | 30 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | | 179.6 | 128.7 | 122.4 | 40.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 531 | G | 29.7 | Very low | 29.9 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 129.6 | 99.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 532 | P | 31.4 | Very low | 29.5 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -94.7 | 110.1 | 173 | 33.3 | -25.2 | 0 | 0 | 0 | 111.2 | | |
| 533 | L | 33.2 | Very low | 29.3 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -142.6 | 95.2 | 162.2 | -81.3 | 168.4 | 0 | 0 | 0 | 106.9 | | |
| 534 | K | 30.2 | Very low | 29.5 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | | 64.5 | 112.1 | 104.5 | -88.2 | -169.3 | 178.2 | -176.7 | 0 | 113.6 | | |
| 535 | T | 27 | Very low | 29.6 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 51.2 | 122.2 | 138.3 | 37.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 536 | D | 31.7 | Very low | 29.3 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | cis | -170.2 | 147.9 | 44.8 | -91.3 | -38.7 | 0 | 0 | 0 | 109.7 | | |
| 537 | C | 23.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 145.4 | 165 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 538 | P | 32.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | -138.8 | 118 | 110.8 | 27.2 | -9.6 | 0 | 0 | 0 | 112.3 | | |
| 539 | N | 27.1 | Very low | 29.2 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -76.4 | 122.1 | 159.6 | -75.4 | -34.3 | 0 | 0 | 0 | 108.5 | | |
| 540 | T | 28.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -125 | 89.3 | 163.4 | -47.5 | 0 | 0 | 0 | 0 | 110 | | |
| 541 | I | 30.7 | Very low | 29.1 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | 49.5 | 101.2 | 133.9 | -54.1 | 172.8 | 0 | 0 | 0 | 116.9 | | |
| 542 | T | 26.6 | Very low | 29.3 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -80.1 | 146.4 | 159.2 | -35.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 543 | T | 25 | Very low | 29.3 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -38.4 | 143.3 | 173.1 | 49.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 544 | P | 31.6 | Very low | 29.4 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | trans | -109.1 | 110.5 | 147.6 | 30.9 | -18.6 | 0 | 0 | 0 | 109.7 | | |
| 545 | S | 28.4 | Very low | 29.6 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 51.6 | 101.8 | 89.1 | 76.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 546 | T | 25.9 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -12.2 | 126.6 | 145.2 | 53.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 547 | T | 29.5 | Very low | 29.8 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | | -178.2 | 151.3 | 129.5 | 5.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 548 | N | 32.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 100.5 | 96.6 | 153.4 | -59.7 | -22.7 | 0 | 0 | 0 | 119.4 | | |
| 549 | C | 23.2 | Very low | 30.1 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | -43.5 | 124.7 | 147.4 | -57.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 550 | M | 31.6 | Very low | 30.2 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -100.8 | 112.6 | 156.5 | -111 | 159.6 | 72 | 0 | 0 | 108.7 | N552 | M550-N552 PolarHBondContact O-N 2.93Š|
| 551 | K | 31.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | | | trans | -60.6 | 122.9 | 163.7 | -73 | 170.7 | 173.8 | 174.8 | 0 | 108.1 | | |
| 552 | N | 33.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -122.3 | 93 | 153.4 | -113.8 | -28.1 | 0 | 0 | 0 | 107.1 | M550 | M550-N552 PolarHBondContact O-N 2.93Š|
| 553 | I | 32.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | | | trans | -82.8 | 99.7 | 163.7 | -67.9 | 160.7 | 0 | 0 | 0 | 103.3 | | |
| 554 | D | 33.6 | Very low | 31.1 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | 177.4 | 82.4 | 160.6 | -88.3 | -24.9 | 0 | 0 | 0 | 108.9 | | |
| 555 | Q | 34.8 | Very low | 31.2 | Very low | 196 Ų | 196 | 153.5 Ų | 153.5 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | -174.9 | 24 | 154.6 | -106.1 | 170.5 | 47.8 | 0 | 0 | 114.8 | N557 | Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3Å |
| 556 | L | 30.9 | Very low | 31.4 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -97.8 | 30 | 177.6 | -116.2 | 149.3 | 0 | 0 | 0 | 113.3 | | |
| 557 | N | 32.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | | | trans | -119.2 | 44.7 | 179.3 | -83.3 | -22 | 0 | 0 | 0 | 112.5 | Q555 | Q555-N557 VanDerWaalsContact C-N 3.34Å; Q555-N557 PolarHBondContact O-N 3Å |
| 558 | Y | 31.3 | Very low | 31.5 | Very low | 227 Ų | 227 | 156.9 Ų | 156.9 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | | | trans | -151.3 | 47.2 | 173.6 | -100.4 | -76.2 | 0 | 0 | 0 | 114.2 | | |
| 559 | M | 30.8 | Very low | 31.4 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 89% | 0.892 | 83% | 0.826 | S | S | * | * | | | trans | -146.8 | 62.8 | 157.3 | -68.9 | -161 | 84.7 | 0 | 0 | 110.4 | S561 | M559-S561 PolarHBondContact O-N 2.83Š|
| 560 | K | 30.2 | Very low | 31.6 | Very low | 209 Ų | 209 | 156.1 Ų | 156.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -86.8 | 93.4 | 162.1 | -130.8 | 176.8 | -175.6 | 178.8 | 0 | 106.2 | P562 | K560-P562 VanDerWaalsContact O-CD 3.25Å; K560-P562 WeakPolarHBondContact O-CD 3.35Å |
| 561 | S | 30.5 | Very low | 31.8 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | -66.2 | 117.2 | 172.6 | -77.2 | 0 | 0 | 0 | 0 | 109.7 | M559 D563 | M559-S561 PolarHBondContact O-N 2.83Å; S561-D563 PolarHBondContact O-N 2.87Å |
| 562 | P | 34.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | | | trans | -95 | 79.5 | 174.2 | 33.2 | -20.7 | 0 | 0 | 0 | 108.6 | K560 | K560-P562 VanDerWaalsContact O-CD 3.25Å; K560-P562 WeakPolarHBondContact O-CD 3.35Å |
| 563 | D | 33.6 | Very low | 31.9 | Very low | 152 Ų | 152 | 157.6 Ų | 157.6 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -152.1 | 34.2 | 173 | -90.8 | -32.6 | 0 | 0 | 0 | 112.3 | S561 | S561-D563 PolarHBondContact O-N 2.87Š|
| 564 | M | 30.5 | Very low | 32.1 | Very low | 193 Ų | 193 | 159.8 Ų | 159.8 | 95% | 0.951 | 83% | 0.826 | S | S | * | * | | | trans | -115.7 | 35.6 | 174.7 | -93.2 | -79.2 | -139 | 0 | 0 | 111.8 | | |
| 565 | S | 33.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 160.3 Ų | 160.3 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | | | trans | -129.7 | 53.6 | 177.9 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 566 | T | 32.5 | Very low | 32.4 | Very low | 136 Ų | 136 | 156 Ų | 156 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | trans | -139.9 | 54.2 | 161.8 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 567 | C | 28.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -127.1 | 49.5 | 163 | -70.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 568 | I | 29.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 154.3 Ų | 154.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -138.5 | 85.8 | 170 | -52.4 | -179.9 | 0 | 0 | 0 | 107.8 | | |
| 569 | N | 28.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -159.7 | 103.3 | 143.2 | -143.1 | -12.8 | 0 | 0 | 0 | 111.8 | | |
| 570 | N | 28.5 | Very low | 34.7 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | trans | 24.6 | 110.4 | 140.4 | -59.4 | -36.1 | 0 | 0 | 0 | 118.2 | | |
| 571 | N | 34.8 | Very low | 35.1 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -141.8 | 114.4 | 132.8 | -93 | -45.7 | 0 | 0 | 0 | 109.9 | R573 | N571-R573 PolarHBondContact O-N 2.79Š|
| 572 | N | 32.7 | Very low | 35.5 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | | | trans | -40.3 | 100.1 | 173.2 | -63.2 | -45.7 | 0 | 0 | 0 | 112.6 | | |
| 573 | R | 35.1 | Very low | 35.7 | Very low | 223 Ų | 223 | 150.8 Ų | 150.8 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -128.1 | 97.9 | 149.2 | -72.7 | -168.3 | -177.5 | -135.5 | 0.3 | 106.7 | N571 L575 | N571-R573 PolarHBondContact O-N 2.79Å; R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 2.98Å |
| 574 | H | 36.2 | Very low | 35.9 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -48.6 | 92.9 | 165.6 | -174.8 | 17.1 | 0 | 0 | 0 | 108.4 | | |
| 575 | L | 38.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -88.9 | 115 | 169.9 | -76.5 | 162.2 | 0 | 0 | 0 | 105.8 | R573 | R573-L575 VanDerWaalsContact C-N 3.26Å; R573-L575 PolarHBondContact O-N 2.98Å |
| 576 | D | 37.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 56% | 0.561 | 77% | 0.774 | S | S | * | * | | | trans | -59.1 | 129.8 | -179.8 | -164.2 | -7.7 | 0 | 0 | 0 | 109.6 | K578 | D576-K578 PolarHBondContact O-N 2.89Š|
| 577 | P | 44.5 | Very low | 36.8 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 4.8 | -171.8 | -21.5 | 33.1 | 0 | 0 | 0 | 116.2 | | |
| 578 | K | 45.6 | Very low | 37.4 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -11 | -179.8 | -73.8 | -171.7 | 177.7 | 179 | 0 | 115.1 | D576 | D576-K578 PolarHBondContact O-N 2.89Š|
| 579 | D | 43.7 | Very low | 37.8 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -95 | 4.2 | 179.9 | -74.2 | -25.7 | 0 | 0 | 0 | 114.2 | Y581 | D579-Y581 VanDerWaalsContact C-N 3.29Å; D579-Y581 PolarHBondContact O-N 2.9Å |
| 580 | L | 40.1 | Very low | 38.4 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -80.9 | 78.1 | 172.4 | -116 | 72.9 | 0 | 0 | 0 | 110.3 | P582 | L580-P582 WeakPolarHBondContact O-CD 3.27Š|
| 581 | Y | 37.9 | Very low | 38.9 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | trans | -63.1 | 123.1 | 162 | -81.4 | -89.6 | 0 | 0 | 0 | 108.6 | D579 I583 | D579-Y581 VanDerWaalsContact C-N 3.29Å; D579-Y581 PolarHBondContact O-N 2.9Å; Y581-I583 PolarHBondContact O-N 2.85Å |
| 582 | P | 39.1 | Very low | 38.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | trans | -63.8 | 114 | 179.7 | 23.2 | -30.3 | 0 | 0 | 0 | 108.7 | L580 P584 | L580-P582 WeakPolarHBondContact O-CD 3.27Å; P582-P584 WeakPolarHBondContact O-CD 3.39Å; P582-P584 VanDerWaalsContact O-N 3.15Å |
| 583 | I | 38.2 | Very low | 38.8 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | | | trans | -62.9 | 113.7 | 168.1 | -61.9 | 173.2 | 0 | 0 | 0 | 105.7 | Y581 | Y581-I583 PolarHBondContact O-N 2.85Š|
| 584 | P | 37.9 | Very low | 38.9 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | | | trans | -60.7 | 139.5 | 178.2 | 24.3 | -31.6 | 0 | 0 | 0 | 108.6 | P582 L586 | P582-P584 WeakPolarHBondContact O-CD 3.39Å; P582-P584 VanDerWaalsContact O-N 3.15Å; P584-L586 PolarHBondContact O-N 3.24Å; P584-L586 VanDerWaalsContact O-N 3.09Å |
| 585 | P | 42.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | trans | -55.6 | 122.8 | -177.7 | 21.9 | -31.5 | 0 | 0 | 0 | 108.7 | C587 | P585-C587 VanDerWaalsContact C-N 3.29Å; P585-C587 PolarHBondContact O-N 2.79Å |
| 586 | L | 36.9 | Very low | 38.7 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -55.7 | 100.7 | 165.4 | -86.3 | 139 | 0 | 0 | 0 | 106.2 | P584 V588 | P584-L586 PolarHBondContact O-N 3.24Å; P584-L586 VanDerWaalsContact O-N 3.09Å; L586-V588 PolarHBondContact O-N 2.94Å |
| 587 | C | 36.3 | Very low | 38.7 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -57.5 | 96 | 168.7 | -81.8 | 0 | 0 | 0 | 0 | 107 | P585 P589 | P585-C587 VanDerWaalsContact C-N 3.29Å; P585-C587 PolarHBondContact O-N 2.79Å; C587-P589 VanDerWaalsContact O-CD 3.3Å; C587-P589 WeakPolarHBondContact O-CD 3.29Å |
| 588 | V | 40.8 | Very low | 38.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.2 | 164.5 | -176.2 | 0 | 0 | 0 | 0 | 104.7 | L586 | L586-V588 PolarHBondContact O-N 2.94Š|
| 589 | P | 39.6 | Very low | 38.2 | Very low | 95 Ų | 95 | 129 Ų | 129 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.8 | 177.3 | 23.6 | -31.1 | 0 | 0 | 0 | 108.2 | C587 S591 | C587-P589 VanDerWaalsContact O-CD 3.3Å; C587-P589 WeakPolarHBondContact O-CD 3.29Å; P589-S591 PolarHBondContact O-N 2.91Å |
| 590 | P | 39.9 | Very low | 37.8 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.9 | -177 | 19.4 | -29.7 | 0 | 0 | 0 | 109.4 | G592 | P590-G592 PolarHBondContact O-N 3.19Š|
| 591 | S | 39.5 | Very low | 37.8 | Very low | 131 Ų | 131 | 126 Ų | 126 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | | | trans | -65.1 | 62.9 | 171.8 | 55 | 0 | 0 | 0 | 0 | 110.2 | P589 | P589-S591 PolarHBondContact O-N 2.91Š|
| 592 | G | 32.2 | Very low | 37.7 | Very low | 43 Ų | 43 | 122.3 Ų | 122.3 | 44% | 0.443 | 74% | 0.739 | S | S | . | * | | | trans | -92.5 | 127.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | P590 Y594 | P590-G592 PolarHBondContact O-N 3.19Å; G592-Y594 WeakPolarHBondContact O-CD2 3.36Å; G592-Y594 PolarHBondContact O-N 3.37Å |
| 593 | N | 32.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | | | trans | -51.2 | 91.2 | 166.5 | -82.4 | -16.2 | 0 | 0 | 0 | 109.3 | C595 | N593-C595 PolarHBondContact O-N 2.95Š|
| 594 | Y | 38.1 | Very low | 37.8 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | | | trans | -70.7 | 93.6 | 163.3 | -71.7 | -79.3 | 0 | 0 | 0 | 105.4 | G592 C596 | G592-Y594 WeakPolarHBondContact O-CD2 3.36Å; G592-Y594 PolarHBondContact O-N 3.37Å; Y594-C596 VanDerWaalsContact C-N 3.33Å; Y594-C596 PolarHBondContact O-N 3.08Å |
| 595 | C | 33.6 | Very low | 37.8 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | trans | -49.6 | 105.8 | 161 | -71.6 | 0 | 0 | 0 | 0 | 106.8 | N593 S597 | N593-C595 PolarHBondContact O-N 2.95Å; C595-S597 PolarHBondContact O-N 3.31Å |
| 596 | C | 35.7 | Very low | 37.4 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 91% | 0.912 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -67.7 | 67.5 | 171.9 | -71.3 | 0 | 0 | 0 | 0 | 109 | Y594 | Y594-C596 VanDerWaalsContact C-N 3.33Å; Y594-C596 PolarHBondContact O-N 3.08Å |
| 597 | S | 38.3 | Very low | 37.5 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | | | trans | -132.4 | 43.3 | 174.6 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | C595 | C595-S597 PolarHBondContact O-N 3.31Š|
| 598 | H | 39.7 | Very low | 37.5 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | | | trans | -123.6 | 70.2 | 168.7 | -65 | -38.4 | 0 | 0 | 0 | 108.8 | P600 | H598-P600 WeakPolarHBondContact O-CD 3.35Š|
| 599 | T | 39 | Very low | 37.3 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 118.9 | 151 | -33.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 600 | P | 35.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 137.6 | -178.2 | 20.9 | -31.1 | 0 | 0 | 0 | 108.9 | H598 T602 | H598-P600 WeakPolarHBondContact O-CD 3.35Å; P600-T602 PolarHBondContact O-N 3.3Å |
| 601 | P | 41 | Very low | 36.7 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 116.5 | -178 | 19.2 | -29.5 | 0 | 0 | 0 | 108.9 | | |
| 602 | T | 36.5 | Very low | 36.4 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51 | 130.1 | 171.1 | 19.4 | 0 | 0 | 0 | 0 | 108.3 | P600 V604 | P600-T602 PolarHBondContact O-N 3.3Å; T602-V604 PolarHBondContact O-N 3.11Å |
| 603 | P | 36.9 | Very low | 36.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -54.8 | 113.6 | -178.9 | 18.8 | -29.4 | 0 | 0 | 0 | 108.7 | R605 | P603-R605 VanDerWaalsContact C-N 3.35Å; P603-R605 PolarHBondContact O-N 3.2Å |
| 604 | V | 41.2 | Very low | 36.3 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -56.3 | 104.2 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 105.6 | T602 R606 | T602-V604 PolarHBondContact O-N 3.11Å; V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.02Å |
| 605 | R | 37.4 | Very low | 36.1 | Very low | 237 Ų | 237 | 144.4 Ų | 144.4 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | trans | -60.2 | 103.2 | 167.1 | -75.1 | -175 | 178.5 | 179.6 | 0.1 | 104.8 | P603 P607 | P603-R605 VanDerWaalsContact C-N 3.35Å; P603-R605 PolarHBondContact O-N 3.2Å; R605-P607 WeakPolarHBondContact O-CD 3.34Å; R605-P607 VanDerWaalsContact O-N 3.1Å |
| 606 | R | 34.1 | Very low | 35.9 | Very low | 228 Ų | 228 | 147.5 Ų | 147.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -48.2 | 122.4 | 165.9 | -77.2 | -175.8 | 177.4 | 175.6 | -1.6 | 105.9 | V604 W608 | V604-R606 VanDerWaalsContact C-N 3.3Å; V604-R606 PolarHBondContact O-N 3.02Å; R606-W608 PolarHBondContact O-N 3.25Å; R606-W608 VanDerWaalsContact O-N 3.12Å |
| 607 | P | 40 | Very low | 35.8 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -50.3 | 126.5 | 169.2 | -20.7 | 31.1 | 0 | 0 | 0 | 105.9 | R605 L609 | R605-P607 WeakPolarHBondContact O-CD 3.34Å; R605-P607 VanDerWaalsContact O-N 3.1Å; P607-L609 PolarHBondContact O-N 3.1Å |
| 608 | W | 35.9 | Very low | 35.3 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.951 | 79% | 0.794 | S | S | * | * | | | trans | -48.8 | 115.2 | 159.8 | -125.1 | 40.3 | 0 | 0 | 0 | 104.3 | R606 G610 | R606-W608 PolarHBondContact O-N 3.25Å; R606-W608 VanDerWaalsContact O-N 3.12Å; W608-G610 PolarHBondContact O-N 2.89Å |
| 609 | L | 35.5 | Very low | 34.8 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -50.9 | 105.6 | 168.1 | -99.7 | 76.2 | 0 | 0 | 0 | 104.1 | P607 D611 | P607-L609 PolarHBondContact O-N 3.1Å; L609-D611 PolarHBondContact O-N 2.89Å |
| 610 | G | 31.2 | Very low | 34.1 | Very low | 58 Ų | 58 | 147.8 Ų | 147.8 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | | | trans | -61.8 | 111 | 167.6 | 0 | 0 | 0 | 0 | 0 | 104.2 | W608 N612 | W608-G610 PolarHBondContact O-N 2.89Å; G610-N612 PolarHBondContact O-N 3.42Å; G610-N612 VanDerWaalsContact O-N 3.11Å |
| 611 | D | 36.6 | Very low | 33.7 | Very low | 152 Ų | 152 | 148.6 Ų | 148.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -51.8 | 122.3 | 170.3 | -78.5 | -39.1 | 0 | 0 | 0 | 107.8 | L609 S613 | L609-D611 PolarHBondContact O-N 2.89Å; D611-S613 PolarHBondContact O-N 2.83Å; D611-S613 VanDerWaalsContact O-N 3.07Å |
| 612 | N | 32.8 | Very low | 33.3 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | -52.5 | 110.7 | -171.9 | -59.6 | -58 | 0 | 0 | 0 | 110.4 | G610 E614 | G610-N612 PolarHBondContact O-N 3.42Å; G610-N612 VanDerWaalsContact O-N 3.11Å; N612-E614 VanDerWaalsContact C-N 3.27Å; N612-E614 PolarHBondContact O-N 3.29Å |
| 613 | S | 30.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -85.7 | 73.5 | 165.5 | 30.7 | 0 | 0 | 0 | 0 | 107.5 | D611 | D611-S613 PolarHBondContact O-N 2.83Å; D611-S613 VanDerWaalsContact O-N 3.07Å |
| 614 | E | 33.7 | Very low | 32.9 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -173.5 | 68.7 | 166.6 | -107.3 | 168 | -129.5 | 0 | 0 | 110.6 | N612 | N612-E614 VanDerWaalsContact C-N 3.27Å; N612-E614 PolarHBondContact O-N 3.29Å |
| 615 | Q | 32.2 | Very low | 32.4 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -130.3 | 89 | 148.1 | -79.9 | -166.8 | 1.7 | 0 | 0 | 108.2 | A617 | Q615-A617 PolarHBondContact O-N 3.05Š|
| 616 | I | 30.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | | | trans | -66.3 | 77.8 | 159.4 | -56.8 | 167.9 | 0 | 0 | 0 | 105.8 | | |
| 617 | A | 33.1 | Very low | 32.5 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | | | trans | -103.9 | 91.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q615 G619 | Q615-A617 PolarHBondContact O-N 3.05Å; A617-G619 VanDerWaalsContact C-N 3.34Å; A617-G619 PolarHBondContact O-N 2.92Å |
| 618 | T | 28.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -45.9 | 96.3 | 162.3 | 35 | 0 | 0 | 0 | 0 | 109.9 | | |
| 619 | G | 28.5 | Very low | 32.4 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | -145.6 | 83 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111 | A617 | A617-G619 VanDerWaalsContact C-N 3.34Å; A617-G619 PolarHBondContact O-N 2.92Å |
| 620 | R | 25.5 | Very low | 32.4 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | trans | 31.2 | 114.2 | 148.6 | -97.8 | 176.2 | 167.8 | -164.8 | -3.4 | 118.4 | R622 | R620-R622 PolarHBondContact O-N 3.04Š|
| 621 | S | 27.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | 13.9 | 98.9 | 140.4 | -67.2 | 0 | 0 | 0 | 0 | 117 | | |
| 622 | R | 32.4 | Very low | 32.6 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -133 | 105.8 | 145.6 | -73.6 | -168.8 | 171.8 | -160.4 | -2.7 | 108.9 | R620 | R620-R622 PolarHBondContact O-N 3.04Š|
| 623 | S | 34.5 | Very low | 32.7 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 31.7 | 111.3 | 149.9 | 59.5 | 0 | 0 | 0 | 0 | 116.2 | G625 | S623-G625 VanDerWaalsContact C-N 3.3Å; S623-G625 PolarHBondContact O-N 2.84Å |
| 624 | G | 30 | Very low | 32.9 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -51.2 | 94.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q626 | G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.85Å |
| 625 | G | 30.4 | Very low | 33.2 | Very low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 96.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S623 K627 | S623-G625 VanDerWaalsContact C-N 3.3Å; S623-G625 PolarHBondContact O-N 2.84Å; G625-K627 PolarHBondContact O-N 3.49Å |
| 626 | Q | 36.5 | Very low | 33.6 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -50.4 | 108.9 | 169.4 | -75.2 | -170.8 | -18.9 | 0 | 0 | 107.9 | G624 R628 | G624-Q626 VanDerWaalsContact C-N 3.3Å; G624-Q626 PolarHBondContact O-N 2.85Å; Q626-R628 VanDerWaalsContact C-N 3.33Å; Q626-R628 PolarHBondContact O-N 2.82Å |
| 627 | K | 36.9 | Very low | 33.7 | Very low | 203 Ų | 203 | 139 Ų | 139 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -61.6 | 103.6 | 165.3 | -70.8 | -177.7 | 178.8 | 178.3 | 0 | 105.5 | G625 S629 | G625-K627 PolarHBondContact O-N 3.49Å; K627-S629 VanDerWaalsContact C-N 3.27Å; K627-S629 PolarHBondContact O-N 2.77Å |
| 628 | R | 35.7 | Very low | 33.9 | Very low | 229 Ų | 229 | 140.7 Ų | 140.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -58.4 | 96 | 169.2 | -72.8 | -179.1 | 176.2 | -168.7 | -1.7 | 107 | Q626 V630 | Q626-R628 VanDerWaalsContact C-N 3.33Å; Q626-R628 PolarHBondContact O-N 2.82Å; R628-V630 VanDerWaalsContact C-N 3.32Å; R628-V630 PolarHBondContact O-N 2.86Å |
| 629 | S | 37.5 | Very low | 34.3 | Very low | 85 Ų | 85 | 141 Ų | 141 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | | | trans | -63.7 | 101.6 | 160.6 | 48.5 | 0 | 0 | 0 | 0 | 105.8 | K627 Y631 | K627-S629 VanDerWaalsContact C-N 3.27Å; K627-S629 PolarHBondContact O-N 2.77Å; S629-Y631 PolarHBondContact O-N 3.01Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.25Å |
| 630 | V | 36.4 | Very low | 34.7 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 88.8 | 167.9 | -178.5 | 0 | 0 | 0 | 0 | 105.7 | R628 V632 | R628-V630 VanDerWaalsContact C-N 3.32Å; R628-V630 PolarHBondContact O-N 2.86Å; V630-V632 VanDerWaalsContact C-N 3.29Å; V630-V632 HydrophobicContact CG1-CG2 4.23Å; V630-V632 PolarHBondContact O-N 2.85Å |
| 631 | Y | 37.5 | Very low | 35.3 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | -63.9 | 101.1 | 160.2 | -81.7 | -88.9 | 0 | 0 | 0 | 105.5 | S629 N633 | S629-Y631 PolarHBondContact O-N 3.01Å; S629-Y631 WeakPolarHBondContact OG-CE2 3.25Å; Y631-N633 PolarHBondContact O-N 2.94Å |
| 632 | V | 34.6 | Very low | 35.6 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | | | trans | -63.1 | 106.9 | 166.5 | 176.9 | 0 | 0 | 0 | 0 | 105.3 | V630 A634 | V630-V632 VanDerWaalsContact C-N 3.29Å; V630-V632 HydrophobicContact CG1-CG2 4.23Å; V630-V632 PolarHBondContact O-N 2.85Å; V632-A634 PolarHBondContact O-N 2.92Å |
| 633 | N | 34.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | | | trans | -61.7 | 98.2 | -178.1 | -159.5 | 2.6 | 0 | 0 | 0 | 108 | Y631 S635 | Y631-N633 PolarHBondContact O-N 2.94Å; N633-S635 PolarHBondContact ND2-OG 3.31Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-OG 3.09Å |
| 634 | A | 34.7 | Very low | 35.8 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -69.9 | 4.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V632 I636 | V632-A634 PolarHBondContact O-N 2.92Å; A634-I636 PolarHBondContact O-N 2.75Å |
| 635 | S | 39.1 | Very low | 35.9 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 57% | 0.566 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -74.6 | 3.1 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | N633 Y637 | N633-S635 PolarHBondContact ND2-OG 3.31Å; N633-S635 VanDerWaalsContact ND2-OG 3.15Å; N633-S635 PolarHBondContact O-N 2.89Å; N633-S635 PolarHBondContact OD1-OG 3.09Å; S635-Y637 VanDerWaalsContact C-N 3.34Å |
| 636 | I | 42.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -84.1 | -9 | 176.4 | -58.2 | 178.6 | 0 | 0 | 0 | 112.6 | A634 P638 | A634-I636 PolarHBondContact O-N 2.75Å; I636-P638 WeakPolarHBondContact O-CD 3.23Å |
| 637 | Y | 31.8 | Very low | 36.1 | Very low | 202 Ų | 202 | 146 Ų | 146 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -99.7 | 107.4 | 163.5 | -76.8 | -82.1 | 0 | 0 | 0 | 108.8 | S635 I639 | S635-Y637 VanDerWaalsContact C-N 3.34Å; Y637-I639 PolarHBondContact O-N 2.97Å |
| 638 | P | 36.9 | Very low | 35.8 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | | | trans | -59.6 | 110.2 | 168.3 | 23.9 | -29.9 | 0 | 0 | 0 | 106.9 | I636 P640 | I636-P638 WeakPolarHBondContact O-CD 3.23Å; P638-P640 VanDerWaalsContact O-CD 3.29Å; P638-P640 WeakPolarHBondContact O-CD 3.08Å |
| 639 | I | 36.4 | Very low | 35.6 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 77% | 0.774 | 74% | 0.74 | S | S | * | * | | | trans | -55.2 | 120.9 | 158.2 | -65.4 | 162.3 | 0 | 0 | 0 | 103.8 | Y637 E641 | Y637-I639 PolarHBondContact O-N 2.97Å; I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 2.85Å |
| 640 | P | 37.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | -58.4 | 103.8 | 173.7 | -19.1 | 31.1 | 0 | 0 | 0 | 106.5 | P638 M642 | P638-P640 VanDerWaalsContact O-CD 3.29Å; P638-P640 WeakPolarHBondContact O-CD 3.08Å; P640-M642 PolarHBondContact O-N 2.89Å |
| 641 | E | 38.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -56.9 | 103.3 | 162 | -90.4 | -177 | 149.3 | 0 | 0 | 104.4 | I639 I643 | I639-E641 VanDerWaalsContact C-N 3.31Å; I639-E641 PolarHBondContact O-N 2.85Å; E641-I643 HydrophobicContact CB-CG1 4.49Å; E641-I643 PolarHBondContact O-N 3.27Å |
| 642 | M | 33.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | | | trans | -60.5 | 88.2 | 156.7 | -87.6 | 175.1 | 44.2 | 0 | 0 | 105.1 | P640 R644 | P640-M642 PolarHBondContact O-N 2.89Å; M642-R644 PolarHBondContact O-N 2.9Å |
| 643 | I | 37.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | | | trans | -57 | 100.6 | 161.6 | -58.1 | 174.5 | 0 | 0 | 0 | 103.3 | E641 N645 | E641-I643 HydrophobicContact CB-CG1 4.49Å; E641-I643 PolarHBondContact O-N 3.27Å; I643-N645 WeakPolarHBondContact CG2-OD1 3.29Å; I643-N645 PolarHBondContact O-N 3.32Å |
| 644 | R | 33.6 | Very low | 33.9 | Very low | 207 Ų | 207 | 140.5 Ų | 140.5 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | trans | -60.3 | 91.8 | 161.9 | -76.2 | -178.7 | -74.7 | -130.4 | -3.2 | 104.2 | M642 N646 | M642-R644 PolarHBondContact O-N 2.9Å; R644-N646 PolarHBondContact O-N 2.95Å |
| 645 | N | 32.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | | | trans | -61.9 | 92.7 | 160 | -67.1 | -21.9 | 0 | 0 | 0 | 104 | I643 D647 | I643-N645 WeakPolarHBondContact CG2-OD1 3.29Å; I643-N645 PolarHBondContact O-N 3.32Å; N645-D647 VanDerWaalsContact C-N 3.31Å; N645-D647 PolarHBondContact O-N 2.85Å |
| 646 | N | 35.8 | Very low | 33 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | -62.2 | 108.4 | 160.6 | -74.3 | -21.9 | 0 | 0 | 0 | 103.9 | R644 S648 | R644-N646 PolarHBondContact O-N 2.95Å; N646-S648 VanDerWaalsContact C-N 3.3Å; N646-S648 PolarHBondContact O-N 2.85Å |
| 647 | D | 35.3 | Very low | 32.4 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -55.7 | 99 | 173.8 | -68.9 | -42.7 | 0 | 0 | 0 | 108.1 | N645 N649 | N645-D647 VanDerWaalsContact C-N 3.31Å; N645-D647 PolarHBondContact O-N 2.85Å; D647-N649 PolarHBondContact O-N 3.26Å |
| 648 | S | 30.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -66.3 | 83.3 | 163.6 | -69 | 0 | 0 | 0 | 0 | 108 | N646 | N646-S648 VanDerWaalsContact C-N 3.3Å; N646-S648 PolarHBondContact O-N 2.85Å |
| 649 | N | 31 | Very low | 31.9 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -164.6 | 56.9 | 151.1 | -130.8 | 21.3 | 0 | 0 | 0 | 112.4 | D647 | D647-N649 PolarHBondContact O-N 3.26Š|
| 650 | G | 29.2 | Very low | 31.6 | Very low | 79 Ų | 79 | 151.9 Ų | 151.9 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | -106.8 | 85.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 651 | N | 29.1 | Very low | 31.3 | Very low | 145 Ų | 145 | 155 Ų | 155 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | 13.4 | 112.3 | 162.9 | -75.7 | -24 | 0 | 0 | 0 | 118.5 | F653 | N651-F653 PolarHBondContact O-N 3.36Š|
| 652 | N | 28.5 | Very low | 30.9 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -52.3 | 102.5 | 155.2 | -65.3 | -53.3 | 0 | 0 | 0 | 110.3 | | |
| 653 | F | 30.1 | Very low | 30.6 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -133.2 | 100.3 | 157.3 | -108.4 | -86 | 0 | 0 | 0 | 109.5 | N651 | N651-F653 PolarHBondContact O-N 3.36Š|
| 654 | S | 27.9 | Very low | 30.4 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 34.4 | 104.4 | 143.6 | -157.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 655 | G | 29.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -153.8 | 64.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 656 | Y | 25.6 | Very low | 30.4 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -50.4 | 140.9 | 159.1 | -81 | -95.7 | 0 | 0 | 0 | 109.3 | | |
| 657 | V | 29.4 | Very low | 30 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | | | trans | 169.8 | 111.8 | 131.3 | 158.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 658 | R | 29.6 | Very low | 29.9 | Very low | 215 Ų | 215 | 146.7 Ų | 146.7 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 63.7 | 103.2 | 144.1 | -69.8 | -173.2 | -78.7 | -137.9 | -3.6 | 120.9 | | |
| 659 | D | 27.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 10.4 | 118.1 | 115.3 | -51 | -39.8 | 0 | 0 | 0 | 116.7 | | |
| 660 | R | 31.1 | Very low | 29.9 | Very low | 244 Ų | 244 | 143.7 Ų | 143.7 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -145.2 | 90.1 | 145.2 | -158.1 | 163.5 | -178.3 | 147.8 | -1.5 | 109.7 | | |
| 661 | E | 31.4 | Very low | 30 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -62.4 | 136.5 | 158.6 | -59.6 | -175.7 | 149.8 | 0 | 0 | 109.7 | | |
| 662 | N | 30.7 | Very low | 29.8 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -158.2 | 87.5 | 157.2 | -146.6 | 45.3 | 0 | 0 | 0 | 105.6 | | |
| 663 | S | 27 | Very low | 30.1 | Very low | 88 Ų | 88 | 142 Ų | 142 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | | | | 43.5 | 104.2 | 89.8 | -173.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 664 | T | 34 | Very low | 29.9 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | | | | -168.7 | 124 | 116.2 | 3.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 665 | D | 31.8 | Very low | 30.3 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -61.1 | 140.1 | 172.3 | -62.6 | -64.6 | 0 | 0 | 0 | 112.8 | V667 | D665-V667 HydrophobicContact CB-CG2 4.46Š|
| 666 | I | 32.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -119.7 | 93.7 | 149.5 | -60.3 | 179.5 | 0 | 0 | 0 | 107 | I668 | I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 4.03Å |
| 667 | V | 29 | Very low | 30.4 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | | | trans | -80.7 | 114.1 | 161.3 | 172.8 | 0 | 0 | 0 | 0 | 106.9 | D665 | D665-V667 HydrophobicContact CB-CG2 4.46Š|
| 668 | I | 32.8 | Very low | 30.3 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -119.9 | 108.5 | 155.9 | -62.4 | 178.3 | 0 | 0 | 0 | 107.9 | I666 | I666-I668 HydrophobicContact CG2-CD1 4.25Å; I666-I668 HydrophobicContact CG2-CG1 4.03Å |
| 669 | T | 26.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | | | trans | -62.8 | 130.1 | 167.7 | -48 | 0 | 0 | 0 | 0 | 110.5 | | |
| 670 | S | 34 | Very low | 30.2 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | -150.6 | 89.3 | 159.3 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 671 | T | 30.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 41.7 | 98.8 | 134.2 | 46.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 672 | S | 26.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -5 | 128.4 | 132.5 | 58.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 673 | S | 33.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -136.8 | 116.5 | 131.5 | 60.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 674 | N | 27.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | | | trans | -91.2 | -175.2 | 178.3 | -111.3 | -10.8 | 0 | 0 | 0 | 108.7 | | |
| 675 | P | 36.3 | Very low | 29.9 | Very low | 101 Ų | 101 | 127 Ų | 127 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | | -132.1 | -168.4 | -70.9 | 28.4 | -4.2 | 0 | 0 | 0 | 111.8 | | |
| 676 | V | 26.7 | Very low | 29.8 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | 80.8 | 105.1 | 154.7 | -161.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 677 | N | 29.7 | Very low | 29.6 | Very low | 167 Ų | 167 | 125.9 Ų | 125.9 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | | | | -136.7 | 133.1 | 126.3 | -145.5 | -2.1 | 0 | 0 | 0 | 110.4 | | |
| 678 | A | 26.6 | Very low | 29.6 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | | | trans | -90.6 | 140.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 679 | S | 28.9 | Very low | 29.4 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -157.6 | 103.7 | 148.3 | -169 | 0 | 0 | 0 | 0 | 108.6 | | |
| 680 | T | 27.6 | Very low | 29.4 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | trans | -45 | 146.9 | 143.4 | 39.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 681 | T | 29.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | | 176.6 | 161.6 | 71.9 | -30.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 682 | E | 34 | Very low | 29.1 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | 97.1 | 94.3 | 158.7 | -62.4 | -179.4 | -163.9 | 0 | 0 | 119.5 | | |
| 683 | V | 27 | Very low | 29.2 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -46.9 | 148.3 | 154.2 | -168.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 684 | I | 30.1 | Very low | 29 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | trans | 142.5 | 94.2 | 132.4 | -66.4 | 173.3 | 0 | 0 | 0 | 111 | | |
| 685 | T | 25.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | | 51.6 | 94.9 | 124.8 | -24 | 0 | 0 | 0 | 0 | 118.2 | I687 | T685-I687 HydrophobicContact CG2-CG1 3.84Š|
| 686 | T | 29.6 | Very low | 28.8 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -106.1 | 107 | 147.9 | -35.5 | 0 | 0 | 0 | 0 | 108.3 | S688 | T686-S688 PolarHBondContact O-N 2.82Å; T686-S688 VanDerWaalsContact O-N 3.1Å |
| 687 | I | 29.4 | Very low | 29 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | | | trans | -65.3 | 102.3 | 176.3 | -59.4 | 169.2 | 0 | 0 | 0 | 107.4 | T685 N689 | T685-I687 HydrophobicContact CG2-CG1 3.84Å; I687-N689 WeakPolarHBondContact CG2-OD1 3.48Å |
| 688 | S | 28.9 | Very low | 28.8 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | -93.3 | 97.2 | 168 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | T686 H690 | T686-S688 PolarHBondContact O-N 2.82Å; T686-S688 VanDerWaalsContact O-N 3.1Å; S688-H690 PolarHBondContact O-N 2.76Å |
| 689 | N | 29 | Very low | 28.8 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -64 | 101.9 | 172.4 | -77.9 | -20.5 | 0 | 0 | 0 | 109.6 | I687 N691 | I687-N689 WeakPolarHBondContact CG2-OD1 3.48Å; N689-N691 PolarHBondContact O-N 3.06Å |
| 690 | H | 26.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 135 Ų | 135 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | -72.3 | 98.2 | 165.6 | -78.6 | -79.2 | 0 | 0 | 0 | 109.4 | S688 N692 | S688-H690 PolarHBondContact O-N 2.76Å; H690-N692 PolarHBondContact O-N 2.88Å; H690-N692 VanDerWaalsContact O-N 3.11Å |
| 691 | N | 29.1 | Very low | 28.7 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -76.6 | 93.1 | 163.7 | -77.4 | -14.6 | 0 | 0 | 0 | 108.8 | N689 D693 | N689-N691 PolarHBondContact O-N 3.06Å; N691-D693 PolarHBondContact O-N 3.04Å |
| 692 | N | 29.5 | Very low | 28.7 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -83.5 | 76.9 | 170.2 | -72.5 | -39 | 0 | 0 | 0 | 109.8 | H690 K694 | H690-N692 PolarHBondContact O-N 2.88Å; H690-N692 VanDerWaalsContact O-N 3.11Å; N692-K694 VanDerWaalsContact C-N 3.27Å; N692-K694 PolarHBondContact O-N 2.73Å; N692-K694 VanDerWaalsContact O-N 3.08Å |
| 693 | D | 29.4 | Very low | 28.5 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -82.8 | 81.4 | 165.3 | -80.6 | -32.4 | 0 | 0 | 0 | 109.4 | N691 T695 | N691-D693 PolarHBondContact O-N 3.04Å; D693-T695 VanDerWaalsContact C-N 3.34Å; D693-T695 PolarHBondContact O-N 2.93Å |
| 694 | K | 29.1 | Very low | 28.8 | Very low | 201 Ų | 201 | 130.5 Ų | 130.5 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -91.1 | 68.9 | 174.7 | -137.8 | 178.4 | -170.2 | -179.7 | 0 | 108.5 | N692 | N692-K694 VanDerWaalsContact C-N 3.27Å; N692-K694 PolarHBondContact O-N 2.73Å; N692-K694 VanDerWaalsContact O-N 3.08Å |
| 695 | T | 29.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | | | trans | -91.2 | 102.7 | 170.8 | 27.2 | 0 | 0 | 0 | 0 | 109.4 | D693 P697 | D693-T695 VanDerWaalsContact C-N 3.34Å; D693-T695 PolarHBondContact O-N 2.93Å; T695-P697 VanDerWaalsContact O-CD 3.29Å; T695-P697 WeakPolarHBondContact O-CD 3.27Å |
| 696 | T | 30 | Very low | 29.3 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 118 | 165.6 | 40.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 697 | P | 30.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -87 | 120.8 | 166.3 | 0.8 | 19.6 | 0 | 0 | 0 | 108.7 | T695 N699 | T695-P697 VanDerWaalsContact O-CD 3.29Å; T695-P697 WeakPolarHBondContact O-CD 3.27Å; P697-N699 PolarHBondContact O-N 2.95Å |
| 698 | S | 26.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58 | 120.1 | 166.7 | 39.1 | 0 | 0 | 0 | 0 | 110.5 | T700 | S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 2.99Å |
| 699 | N | 26.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -69.1 | 87.8 | 172.2 | -74.4 | -35.2 | 0 | 0 | 0 | 109.9 | P697 | P697-N699 PolarHBondContact O-N 2.95Š|
| 700 | T | 29.1 | Very low | 29.5 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -91.3 | 99 | 155.4 | 34.9 | 0 | 0 | 0 | 0 | 107.3 | S698 S702 | S698-T700 VanDerWaalsContact C-N 3.34Å; S698-T700 PolarHBondContact O-N 2.99Å; T700-S702 VanDerWaalsContact C-N 3.32Å; T700-S702 PolarHBondContact O-N 3.36Å |
| 701 | S | 25.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | -65.3 | 87.8 | 176 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 702 | S | 30 | Very low | 30.2 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -87.9 | 102.1 | 157.5 | 55.6 | 0 | 0 | 0 | 0 | 107.1 | T700 P704 | T700-S702 VanDerWaalsContact C-N 3.32Å; T700-S702 PolarHBondContact O-N 3.36Å; S702-P704 VanDerWaalsContact O-CD 3.23Å; S702-P704 WeakPolarHBondContact O-CD 3.44Å |
| 703 | V | 29.1 | Very low | 30.5 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -64.9 | 114.7 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | I705 | V703-I705 PolarHBondContact O-N 3.18Š|
| 704 | P | 34.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | trans | -70.7 | 117.9 | -178.5 | 26.4 | -29.3 | 0 | 0 | 0 | 108.9 | S702 | S702-P704 VanDerWaalsContact O-CD 3.23Å; S702-P704 WeakPolarHBondContact O-CD 3.44Å |
| 705 | I | 32.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | trans | -57.5 | 124.2 | 170.9 | -64.6 | 169.9 | 0 | 0 | 0 | 107.6 | V703 Y707 | V703-I705 PolarHBondContact O-N 3.18Å; I705-Y707 WeakPolarHBondContact O-CD2 3.41Å; I705-Y707 PolarHBondContact O-N 3.07Å |
| 706 | P | 32.5 | Very low | 31.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | | | trans | -68.7 | 101.2 | -175.6 | 25.8 | -32 | 0 | 0 | 0 | 109.7 | W708 | P706-W708 VanDerWaalsContact O-CD1 3.26Å; P706-W708 PolarHBondContact O-N 2.96Å |
| 707 | Y | 28.9 | Very low | 31.5 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 73% | 0.729 | 75% | 0.753 | S | S | * | * | | | trans | -63.4 | 118.3 | 165.5 | -77.1 | -89.5 | 0 | 0 | 0 | 108.3 | I705 T709 | I705-Y707 WeakPolarHBondContact O-CD2 3.41Å; I705-Y707 PolarHBondContact O-N 3.07Å; Y707-T709 PolarHBondContact O-N 2.86Å |
| 708 | W | 26.4 | Very low | 31.7 | Very low | 252 Ų | 252 | 140.9 Ų | 140.9 | 96% | 0.955 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -70 | 36.4 | 176.9 | -73 | 74.1 | 0 | 0 | 0 | 113.3 | P706 | P706-W708 VanDerWaalsContact O-CD1 3.26Å; P706-W708 PolarHBondContact O-N 2.96Å |
| 709 | T | 30.3 | Very low | 32 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | | | trans | -119.4 | 48.5 | 172.8 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | Y707 L711 | Y707-T709 PolarHBondContact O-N 2.86Å; T709-L711 PolarHBondContact O-N 3.2Å |
| 710 | H | 35.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 82% | 0.819 | 73% | 0.732 | S | S | * | * | | | trans | -70.5 | 83.7 | 152 | -75.4 | -74.6 | 0 | 0 | 0 | 107.2 | L712 | H710-L712 PolarHBondContact O-N 2.77Å; H710-L712 VanDerWaalsContact O-N 3.14Å |
| 711 | L | 35.7 | Very low | 33.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 64% | 0.639 | 74% | 0.737 | S | S | * | * | | | trans | -35.5 | 118.2 | 151.9 | -73.4 | 158.6 | 0 | 0 | 0 | 107.4 | T709 Y714 | T709-L711 PolarHBondContact O-N 3.2Å; L711-Y714 HydrophobicContact CD1-CE2 4.39Å |
| 712 | L | 33.9 | Very low | 33.9 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | | | trans | -39.4 | 130.9 | 169 | -80.2 | 142 | 0 | 0 | 0 | 108.3 | H710 Y714 | H710-L712 PolarHBondContact O-N 2.77Å; H710-L712 VanDerWaalsContact O-N 3.14Å; L712-Y714 PolarHBondContact O-N 2.99Å |
| 713 | P | 37 | Very low | 34.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | -48.4 | 119.7 | -174.6 | 16.6 | -29.3 | 0 | 0 | 0 | 107.9 | R715 | P713-R715 PolarHBondContact O-N 2.74Š|
| 714 | Y | 31.1 | Very low | 35 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | trans | -47.5 | 99.8 | 169.5 | -74.4 | -91.4 | 0 | 0 | 0 | 106 | L711 L712 T716 | L711-Y714 HydrophobicContact CD1-CE2 4.39Å; L712-Y714 PolarHBondContact O-N 2.99Å; Y714-T716 PolarHBondContact O-N 3.24Å |
| 715 | R | 34.3 | Very low | 35.1 | Very low | 238 Ų | 238 | 137.3 Ų | 137.3 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | | | trans | -60.8 | 94.9 | 157.6 | -79.3 | -97 | -170.7 | -179.7 | -0.2 | 102.2 | P713 S717 | P713-R715 PolarHBondContact O-N 2.74Å; R715-S717 PolarHBondContact O-N 2.85Å |
| 716 | T | 35.5 | Very low | 35.4 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | | | trans | -57.2 | 92.5 | 160.3 | 41 | 0 | 0 | 0 | 0 | 104.2 | Y714 T718 | Y714-T716 PolarHBondContact O-N 3.24Å; T716-T718 PolarHBondContact O-N 2.79Å |
| 717 | S | 36.6 | Very low | 35.8 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | -59.7 | 97.8 | 163.7 | 177.5 | 0 | 0 | 0 | 0 | 103.5 | R715 V719 | R715-S717 PolarHBondContact O-N 2.85Å; S717-V719 PolarHBondContact O-N 2.99Å; S717-V719 VanDerWaalsContact OG-CG2 3.27Å; S717-V719 WeakPolarHBondContact OG-CG2 3.05Å |
| 718 | T | 35.4 | Very low | 36.4 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -63.4 | 75.9 | 161.4 | 45.7 | 0 | 0 | 0 | 0 | 105.8 | T716 P720 | T716-T718 PolarHBondContact O-N 2.79Å; T718-P720 WeakPolarHBondContact O-CD 3.49Å |
| 719 | V | 32.5 | Very low | 37 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 50% | 0.503 | 73% | 0.733 | S | S | . | * | | | trans | -63.2 | 120.3 | 163 | -179.2 | 0 | 0 | 0 | 0 | 104.2 | S717 Q721 L723 | S717-V719 PolarHBondContact O-N 2.99Å; S717-V719 VanDerWaalsContact OG-CG2 3.27Å; S717-V719 WeakPolarHBondContact OG-CG2 3.05Å; V719-Q721 PolarHBondContact O-N 3Å; V719-L723 HydrophobicContact CG1-CD1 3.78Å |
| 720 | P | 35.1 | Very low | 37.5 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | | | trans | -51 | 136 | -178.5 | -25.1 | 32.4 | 0 | 0 | 0 | 110.3 | T718 N722 | T718-P720 WeakPolarHBondContact O-CD 3.49Å; P720-N722 PolarHBondContact O-N 3.45Å |
| 721 | Q | 44.4 | Very low | 37.8 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -58.7 | 3.4 | -175 | -76 | -175.4 | -22.3 | 0 | 0 | 115.4 | V719 | V719-Q721 PolarHBondContact O-N 3Š|
| 722 | N | 40 | Very low | 37.8 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -95.7 | 13.9 | -175.9 | -73.9 | -32.6 | 0 | 0 | 0 | 115.6 | P720 | P720-N722 PolarHBondContact O-N 3.45Š|
| 723 | L | 39.9 | Very low | 37.9 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -95.5 | -8.4 | 172 | -67.8 | 178.5 | 0 | 0 | 0 | 114.6 | V719 G725 R726 | V719-L723 HydrophobicContact CG1-CD1 3.78Å; L723-G725 PolarHBondContact O-N 3.13Å; L723-R726 PolarHBondContact O-N 3.02Å |
| 724 | S | 42.4 | Very low | 37.9 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -20.9 | 174.3 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 725 | G | 37 | Very low | 38 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -18.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L723 | L723-G725 PolarHBondContact O-N 3.13Š|
| 726 | R | 37.9 | Very low | 38.2 | Very low | 209 Ų | 209 | 132.2 Ų | 132.2 | 79% | 0.789 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -13.6 | -172.7 | -153.2 | 169 | 173.2 | -179.6 | -2.7 | 114.3 | L723 | L723-R726 PolarHBondContact O-N 3.02Š|
| 727 | L | 41.6 | Very low | 37.9 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -1.7 | 175.8 | -72 | 172.5 | 0 | 0 | 0 | 114.2 | | |
| 728 | R | 41.5 | Very low | 37.7 | Very low | 231 Ų | 231 | 139.1 Ų | 139.1 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 8.5 | 173.5 | -76.5 | -158.9 | 176.6 | -178.6 | 1 | 115.3 | | |
| 729 | K | 39 | Very low | 37.7 | Very low | 181 Ų | 181 | 140 Ų | 140 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | | | trans | -125.1 | 79.7 | 165.5 | -67.6 | -176.9 | -179.9 | -177 | 0 | 107 | E731 | K729-E731 PolarHBondContact O-N 2.86Š|
| 730 | S | 40.5 | Very low | 37.8 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -53 | 98.2 | 141.4 | 49.1 | 0 | 0 | 0 | 0 | 105 | T732 | S730-T732 PolarHBondContact O-N 3.07Å; S730-T732 PolarHBondContact O-OG1 2.84Å |
| 731 | E | 42 | Very low | 37.5 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | -46.5 | 91.7 | 158.7 | -174.6 | 173.5 | -173.3 | 0 | 0 | 106.1 | K729 L733 | K729-E731 PolarHBondContact O-N 2.86Å; E731-L733 HydrophobicContact CG-CD2 4.13Å; E731-L733 PolarHBondContact O-N 2.97Å |
| 732 | T | 35.9 | Very low | 37 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | | | trans | -63.2 | 93.7 | 164 | -40.2 | 0 | 0 | 0 | 0 | 103.8 | S730 | S730-T732 PolarHBondContact O-N 3.07Å; S730-T732 PolarHBondContact O-OG1 2.84Å |
| 733 | L | 35.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 145 Ų | 145 | 58% | 0.581 | 75% | 0.749 | S | S | * | * | | | trans | -52.8 | 126 | 171.8 | -69.7 | 171.6 | 0 | 0 | 0 | 106.5 | E731 N735 | E731-L733 HydrophobicContact CG-CD2 4.13Å; E731-L733 PolarHBondContact O-N 2.97Å; L733-N735 PolarHBondContact O-N 2.87Å |
| 734 | P | 38.7 | Very low | 36 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | trans | -60.3 | 115.3 | -179.8 | -19.3 | 30.1 | 0 | 0 | 0 | 108.8 | D736 | P734-D736 PolarHBondContact O-N 3.43Š|
| 735 | N | 32.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 59.5 | 170.1 | -81.6 | -27 | 0 | 0 | 0 | 109.4 | L733 | L733-N735 PolarHBondContact O-N 2.87Š|
| 736 | D | 39.2 | Very low | 35.2 | Very low | 125 Ų | 125 | 153.7 Ų | 153.7 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | | | trans | -136.2 | 58.9 | 177 | -71.3 | -46.1 | 0 | 0 | 0 | 109.3 | P734 | P734-D736 PolarHBondContact O-N 3.43Š|
| 737 | W | 29.7 | Very low | 35 | Very low | 232 Ų | 232 | 149.6 Ų | 149.6 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | | | trans | -100.7 | 121.9 | 157.7 | -60.3 | -31.6 | 0 | 0 | 0 | 107.9 | | |
| 738 | V | 30.7 | Very low | 34.4 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 86.3 | 70.6 | 176.8 | -158.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 739 | N | 37.1 | Very low | 33.7 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | | | trans | -125.5 | 134.4 | 143.2 | -81.8 | -46.5 | 0 | 0 | 0 | 109.1 | | |
| 740 | H | 32.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -51.8 | 140 | -167 | -75.1 | -95.1 | 0 | 0 | 0 | 114.4 | P742 | H740-P742 WeakPolarHBondContact O-CD 3.39Å; H740-P742 WeakPolarHBondContact O-CG 3.43Å; H740-P742 VanDerWaalsContact O-N 3.11Å |
| 741 | E | 28.6 | Very low | 32.5 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | | | trans | -46.9 | 105.9 | 163.5 | -166.5 | 174.1 | -160.3 | 0 | 0 | 110.2 | | |
| 742 | P | 35 | Very low | 31.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -84 | 122.1 | 172.6 | 1.8 | 18.4 | 0 | 0 | 0 | 107 | H740 K744 | H740-P742 WeakPolarHBondContact O-CD 3.39Å; H740-P742 WeakPolarHBondContact O-CG 3.43Å; H740-P742 VanDerWaalsContact O-N 3.11Å; P742-K744 PolarHBondContact O-N 3.11Å |
| 743 | N | 29.8 | Very low | 31.3 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | trans | -41.6 | 124.9 | 174.3 | -73.8 | -45 | 0 | 0 | 0 | 111.6 | I745 | N743-I745 PolarHBondContact O-N 3.15Š|
| 744 | K | 29.5 | Very low | 30.8 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -57 | 96.9 | 166.1 | -76.2 | 175.8 | 176.1 | 175 | 0 | 108.7 | P742 | P742-K744 PolarHBondContact O-N 3.11Š|
| 745 | I | 32.5 | Very low | 30.2 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -93.6 | 103.4 | 157.5 | -66.1 | 172.7 | 0 | 0 | 0 | 105.4 | N743 D747 | N743-I745 PolarHBondContact O-N 3.15Å; I745-D747 HydrophobicContact CG2-CB 4.45Å; I745-D747 VanDerWaalsContact CG2-OD2 3.27Å; I745-D747 WeakPolarHBondContact CG2-OD2 3.3Å; I745-D747 PolarHBondContact O-N 3.3Å |
| 746 | V | 28.8 | Very low | 30 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | -80.5 | 100.3 | 170.4 | 173.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 747 | D | 34.1 | Very low | 29.3 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | | | trans | -131.2 | 102.8 | 166.2 | -81.2 | -43.1 | 0 | 0 | 0 | 109.6 | I745 | I745-D747 HydrophobicContact CG2-CB 4.45Å; I745-D747 VanDerWaalsContact CG2-OD2 3.27Å; I745-D747 WeakPolarHBondContact CG2-OD2 3.3Å; I745-D747 PolarHBondContact O-N 3.3Å |
| 748 | H | 29.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | 27.6 | 101.6 | 133.3 | -54.5 | -63.6 | 0 | 0 | 0 | 115.9 | | |
| 749 | A | 26.1 | Very low | 28.9 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | | 75.5 | 135.3 | 88.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 750 | I | 26.1 | Very low | 28.5 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | 104.9 | 110.6 | 148.7 | -59.1 | 164.5 | 0 | 0 | 0 | 117 | | |
| 751 | H | 29.7 | Very low | 28.2 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | | | trans | 82.5 | 92.1 | 148.9 | -60.8 | -21.3 | 0 | 0 | 0 | 120.4 | | |
| 752 | S | 23.7 | Very low | 28.3 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | | -8.2 | 127.1 | 121.1 | -34.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 753 | I | 28.7 | Very low | 27.8 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | | -168.2 | 117.8 | 124.2 | -85.1 | 142 | 0 | 0 | 0 | 107.5 | | |
| 754 | P | 25 | Very low | 27.8 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | | | trans | -96.4 | 157.4 | 169 | 35.3 | -28.8 | 0 | 0 | 0 | 111.7 | | |
| 755 | K | 24.8 | Very low | 27.6 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | | | trans | 89.7 | 105.8 | 164.9 | -55.4 | 173.4 | 178.5 | 178 | 0 | 116.9 | | |
| 756 | S | 28.6 | Very low | 27.6 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | -163.2 | 112.6 | 119.5 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 757 | T | 23.9 | Very low | 27.4 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -71.6 | 123.9 | 158.3 | 40 | 0 | 0 | 0 | 0 | 109.4 | | |
| 758 | S | 29.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -146.6 | 121.2 | 157 | 64 | 0 | 0 | 0 | 0 | 110.8 | | |
| 759 | H | 23.4 | Very low | 27.2 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -50.9 | 146.2 | 166.6 | -65.9 | -95.1 | 0 | 0 | 0 | 112.3 | | |
| 760 | Q | 29 | Very low | 27.4 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | | 173 | 135.6 | 103.7 | -90 | -171.6 | -11.4 | 0 | 0 | 111.3 | | |
| 761 | L | 26.7 | Very low | 27.5 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -67.4 | 124.5 | 174.8 | -82.2 | 153.1 | 0 | 0 | 0 | 110.2 | | |
| 762 | N | 29.2 | Very low | 27.1 | Very low | 161 Ų | 161 | 152.8 Ų | 152.8 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -90.4 | 108.7 | 171.1 | -132.5 | -2.5 | 0 | 0 | 0 | 108.3 | | |
| 763 | I | 25.7 | Very low | 27.5 | Very low | 153 Ų | 153 | 153.8 Ų | 153.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | -94.2 | 104.3 | 164 | -62.5 | 172.3 | 0 | 0 | 0 | 105.6 | | |
| 764 | L | 29.5 | Very low | 27.4 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -128.8 | 102.5 | 162.7 | -163.1 | 73.7 | 0 | 0 | 0 | 108.4 | | |
| 765 | N | 24.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -98 | 107.7 | 172.7 | -160.5 | 4.6 | 0 | 0 | 0 | 106.4 | | |
| 766 | Q | 32.1 | Very low | 27.8 | Very low | 156 Ų | 156 | 148.6 Ų | 148.6 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | | | trans | -135.6 | 120.8 | 165.6 | -84.2 | -70 | -8.6 | 0 | 0 | 108.3 | | |
| 767 | N | 25.3 | Very low | 27.9 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 61% | 0.61 | 79% | 0.793 | S | S | * | * | | | trans | -61.4 | 152.8 | 174.8 | -64.8 | -66.7 | 0 | 0 | 0 | 111.1 | | |
| 768 | H | 32.6 | Very low | 28.3 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | | 170.8 | 128.2 | 102.8 | -85.3 | -63.3 | 0 | 0 | 0 | 111.7 | S770 | H768-S770 PolarHBondContact O-N 3.49Š|
| 769 | N | 26.2 | Very low | 28.2 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -41.9 | 125.8 | 170.9 | -71.5 | -43.3 | 0 | 0 | 0 | 113.6 | | |
| 770 | S | 30.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -127.9 | 135.7 | 147 | 61.5 | 0 | 0 | 0 | 0 | 109.2 | H768 | H768-S770 PolarHBondContact O-N 3.49Š|
| 771 | Q | 28.9 | Very low | 28.6 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -79.7 | 129.6 | -166.5 | -64.2 | 171.2 | -59.3 | 0 | 0 | 111 | | |
| 772 | R | 21.7 | Very low | 28.9 | Very low | 203 Ų | 203 | 150.8 Ų | 150.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | 17.1 | 104.3 | 134.5 | -143 | -179.5 | -168.5 | -168.3 | 1.7 | 116.3 | N774 | R772-N774 WeakPolarHBondContact CD-OD1 3.46Å; R772-N774 WeakPolarHBondContact CG-OD1 3.46Å; R772-N774 PolarHBondContact NE-OD1 3.4Å |
| 773 | S | 30.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -105.9 | 129.1 | 143 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 774 | N | 28.1 | Very low | 28.8 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 51% | 0.508 | 77% | 0.774 | S | S | . | * | | | trans | -88.1 | 143.5 | -164.6 | -69.7 | -62.2 | 0 | 0 | 0 | 112 | R772 | R772-N774 WeakPolarHBondContact CD-OD1 3.46Å; R772-N774 WeakPolarHBondContact CG-OD1 3.46Å; R772-N774 PolarHBondContact NE-OD1 3.4Å |
| 775 | H | 26.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | 24.6 | 113.9 | 139.6 | -56.9 | -75.7 | 0 | 0 | 0 | 119.1 | | |
| 776 | S | 31.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -141.7 | 107 | 134.9 | 72.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 777 | D | 31 | Very low | 29.3 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -64.7 | 132.6 | 167.2 | -60.7 | -66.6 | 0 | 0 | 0 | 110.3 | | |
| 778 | E | 32.5 | Very low | 29.6 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -140.6 | 86.3 | 152.2 | -139.2 | -178.4 | -160.5 | 0 | 0 | 110.1 | K780 | E778-K780 PolarHBondContact O-N 2.96Š|
| 779 | C | 26.2 | Very low | 29.8 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | trans | -72.8 | 97.7 | 169.2 | -167.9 | 0 | 0 | 0 | 0 | 108.8 | S781 | C779-S781 VanDerWaalsContact C-N 3.26Å; C779-S781 PolarHBondContact O-N 3.13Å |
| 780 | K | 34.3 | Very low | 30 | Very low | 180 Ų | 180 | 148 Ų | 148 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -77.5 | 84.4 | 161.9 | -82.3 | 179.6 | -178.3 | 168.1 | 0 | 109.3 | E778 R782 | E778-K780 PolarHBondContact O-N 2.96Å; K780-R782 PolarHBondContact O-N 3.24Å |
| 781 | S | 26.8 | Very low | 30 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -63 | 106.9 | 161.3 | -69.3 | 0 | 0 | 0 | 0 | 109.5 | C779 | C779-S781 VanDerWaalsContact C-N 3.26Å; C779-S781 PolarHBondContact O-N 3.13Å |
| 782 | R | 33.8 | Very low | 30 | Very low | 244 Ų | 244 | 146.9 Ų | 146.9 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | | | trans | -118 | 98.7 | 162.8 | -94.2 | -171.5 | 174.7 | -143 | -0.3 | 110.3 | K780 | K780-R782 PolarHBondContact O-N 3.24Š|
| 783 | S | 27.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 50.4 | 108.7 | 136.1 | -156.2 | 0 | 0 | 0 | 0 | 120 | | |
| 784 | Y | 25.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -27.8 | 134.1 | 144.5 | -83 | -106.5 | 0 | 0 | 0 | 114.4 | | |
| 785 | V | 35 | Very low | 30.5 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | | | trans | -140.6 | 91 | 136.8 | -175.4 | 0 | 0 | 0 | 0 | 107.5 | Y787 | V785-Y787 HydrophobicContact CG1-CD2 3.4Å; V785-Y787 HydrophobicContact CG1-CE2 3.5Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.5Å; V785-Y787 PolarHBondContact O-N 3.13Å |
| 786 | N | 28.8 | Very low | 30.8 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | | | trans | -77.8 | 108.8 | 161.4 | -89.3 | -24.3 | 0 | 0 | 0 | 107.4 | | |
| 787 | Y | 31.7 | Very low | 30.8 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -102.6 | 97.4 | 153.5 | -85 | -73.2 | 0 | 0 | 0 | 108 | V785 P789 | V785-Y787 HydrophobicContact CG1-CD2 3.4Å; V785-Y787 HydrophobicContact CG1-CE2 3.5Å; V785-Y787 VanDerWaalsContact CG1-CE2 3.5Å; V785-Y787 PolarHBondContact O-N 3.13Å; Y787-P789 WeakPolarHBondContact O-CD 3.28Å |
| 788 | T | 31 | Very low | 30.8 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 121.1 | 169 | -23.5 | 0 | 0 | 0 | 0 | 108.4 | N790 | T788-N790 PolarHBondContact O-N 2.95Š|
| 789 | P | 38.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 133.1 | 174.7 | 25.3 | -29.4 | 0 | 0 | 0 | 109.9 | Y787 L791 | Y787-P789 WeakPolarHBondContact O-CD 3.28Å; P789-L791 PolarHBondContact O-N 3.1Å |
| 790 | N | 29.3 | Very low | 31 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.3 | -168.4 | -160.1 | -22 | 0 | 0 | 0 | 112.5 | T788 N792 | T788-N790 PolarHBondContact O-N 2.95Å; N790-N792 PolarHBondContact O-N 3.06Å; N790-N792 VanDerWaalsContact O-N 3.11Å |
| 791 | L | 30.4 | Very low | 31 | Very low | 139 Ų | 139 | 151.5 Ų | 151.5 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | | | trans | -72.8 | 87.2 | 171.8 | -167.9 | 88 | 0 | 0 | 0 | 109 | P789 | P789-L791 PolarHBondContact O-N 3.1Š|
| 792 | N | 30.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 154 Ų | 154 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -101.8 | 71.4 | 165.6 | -110.2 | -16.4 | 0 | 0 | 0 | 109.8 | N790 | N790-N792 PolarHBondContact O-N 3.06Å; N790-N792 VanDerWaalsContact O-N 3.11Å |
| 793 | H | 28.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | | | trans | -78.8 | 111.3 | 154.5 | -85.2 | -69.1 | 0 | 0 | 0 | 107.5 | | |
| 794 | N | 30.8 | Very low | 32 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -175.8 | 77.9 | 152.1 | -87.9 | -29.2 | 0 | 0 | 0 | 108.3 | | |
| 795 | F | 31.8 | Very low | 32.9 | Very low | 215 Ų | 215 | 154.4 Ų | 154.4 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | -123.2 | 107.4 | 151.5 | -124.3 | -92.7 | 0 | 0 | 0 | 108.9 | | |
| 796 | I | 30.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 156.3 Ų | 156.3 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | -54.8 | 131.8 | -171 | -69.5 | 157.4 | 0 | 0 | 0 | 111.5 | | |
| 797 | D | 31.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | | | trans | -50 | 127 | 166.9 | -72.4 | -59.3 | 0 | 0 | 0 | 112.2 | | |
| 798 | N | 30.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 153.2 Ų | 153.2 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -157.6 | 52.5 | 157.8 | -96.9 | -22.9 | 0 | 0 | 0 | 111.5 | | |
| 799 | A | 32.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | -159.6 | 42.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 800 | K | 31.4 | Very low | 36.2 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -140.7 | 85.9 | 170.1 | -86.4 | -176.2 | -178.3 | 168.4 | 0 | 111.8 | | |
| 801 | N | 34.9 | Very low | 37.5 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -145.3 | 38.3 | 153.6 | -93 | -29.9 | 0 | 0 | 0 | 111 | N803 | N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 2.85Å |
| 802 | I | 37.4 | Very low | 38.6 | Very low | 157 Ų | 157 | 150.1 Ų | 150.1 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -85.3 | 91.6 | 157.9 | -58.6 | 176.8 | 0 | 0 | 0 | 105.6 | R804 | I802-R804 PolarHBondContact O-N 3.01Š|
| 803 | N | 35 | Very low | 39.7 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | trans | -56.7 | 83.1 | 164.3 | -79.4 | -54.6 | 0 | 0 | 0 | 108.7 | N801 K805 | N801-N803 VanDerWaalsContact C-N 3.33Å; N801-N803 PolarHBondContact O-N 2.85Å; N803-K805 PolarHBondContact O-N 3.42Å |
| 804 | R | 37.2 | Very low | 41.1 | Very low | 231 Ų | 231 | 150.9 Ų | 150.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -63.1 | 88.7 | 156.4 | -80.5 | -174 | 177 | -178.1 | 0.5 | 105.4 | I802 E806 | I802-R804 PolarHBondContact O-N 3.01Å; R804-E806 PolarHBondContact O-N 3.47Å |
| 805 | K | 44.7 | Very low | 42.4 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -63.7 | 83.1 | 160.7 | -73.2 | -175.2 | 178.5 | 179.2 | 0 | 105.9 | N803 A807 | N803-K805 PolarHBondContact O-N 3.42Å; K805-A807 PolarHBondContact O-N 2.92Å |
| 806 | E | 44.7 | Very low | 42.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | | | trans | -46.8 | 113.8 | 164.4 | -161.5 | 168.9 | -144.2 | 0 | 0 | 105.9 | R804 K808 | R804-E806 PolarHBondContact O-N 3.47Å; E806-K808 PolarHBondContact O-N 3.21Å |
| 807 | A | 42.7 | Very low | 43.1 | Very low | 96 Ų | 96 | 152 Ų | 152 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | -62.9 | 91.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | K805 S809 | K805-A807 PolarHBondContact O-N 2.92Å; A807-S809 PolarHBondContact O-N 3.14Å |
| 808 | K | 45.1 | Very low | 43.7 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | | | trans | -53.8 | 114.5 | 171.1 | -96.3 | 83 | 175.1 | 177.3 | 0 | 106 | E806 | E806-K808 PolarHBondContact O-N 3.21Š|
| 809 | S | 47.6 | Very low | 44 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138 | 170.4 | 18.8 | 0 | 0 | 0 | 0 | 108.5 | A807 | A807-S809 PolarHBondContact O-N 3.14Š|
| 810 | P | 53.9 | Low | 44.2 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 142 | -179.7 | 22.9 | -31.9 | 0 | 0 | 0 | 109.5 | | |
| 811 | P | 55.3 | Low | 44.4 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 141.2 | -179.5 | 20.7 | -30.9 | 0 | 0 | 0 | 110.2 | R813 | P811-R813 PolarHBondContact O-N 3.19Š|
| 812 | P | 54.2 | Low | 44.3 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 135.1 | -179.1 | 20.2 | -30.2 | 0 | 0 | 0 | 110.1 | | |
| 813 | R | 53.8 | Low | 44.1 | Very low | 209 Ų | 209 | 142.8 Ų | 142.8 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 134.4 | 178.9 | -158 | 177.3 | -139.8 | -115.3 | 1.8 | 108.6 | P811 | P811-R813 PolarHBondContact O-N 3.19Š|
| 814 | P | 57.8 | Low | 44.1 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.5 | 174.6 | -23.1 | 31.2 | 0 | 0 | 0 | 110.1 | M816 | P814-M816 PolarHBondContact O-N 3.2Š|
| 815 | P | 58.6 | Low | 43.7 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 125.2 | 176.7 | 19.5 | -28.9 | 0 | 0 | 0 | 109.3 | R817 | P815-R817 PolarHBondContact O-N 3.48Å; P815-R817 VanDerWaalsContact O-N 3.07Å |
| 816 | M | 38.6 | Very low | 43.2 | Very low | 153 Ų | 153 | 141 Ų | 141 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -61.6 | 113.1 | 172 | -80.7 | 175.3 | 56.7 | 0 | 0 | 107.5 | P814 T818 | P814-M816 PolarHBondContact O-N 3.2Å; M816-T818 VanDerWaalsContact C-N 3.33Å; M816-T818 PolarHBondContact O-N 3.01Å |
| 817 | R | 37.6 | Very low | 42.3 | Very low | 248 Ų | 248 | 141.5 Ų | 141.5 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | | | trans | -60.2 | 97.5 | 169.9 | -92.5 | -178.7 | 156.9 | -172.2 | -5.5 | 108.1 | P815 S819 | P815-R817 PolarHBondContact O-N 3.48Å; P815-R817 VanDerWaalsContact O-N 3.07Å; R817-S819 PolarHBondContact O-N 2.99Å |
| 818 | T | 43.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | | | trans | -68.8 | 109.1 | 158.5 | 49.9 | 0 | 0 | 0 | 0 | 105.9 | M816 S820 | M816-T818 VanDerWaalsContact C-N 3.33Å; M816-T818 PolarHBondContact O-N 3.01Å; T818-S820 PolarHBondContact O-N 3.22Å |
| 819 | S | 38.7 | Very low | 41 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -66 | 72.8 | 168.8 | 171.6 | 0 | 0 | 0 | 0 | 108.8 | R817 | R817-S819 PolarHBondContact O-N 2.99Š|
| 820 | S | 36 | Very low | 40 | Very low | 82 Ų | 82 | 142 Ų | 142 | 57% | 0.573 | 78% | 0.777 | S | S | * | * | | | trans | -154.2 | 52.7 | 176.7 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | T818 | T818-S820 PolarHBondContact O-N 3.22Š|
| 821 | H | 35.3 | Very low | 38.9 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | | | trans | -126.9 | 84.8 | 156.9 | -93.4 | -65.6 | 0 | 0 | 0 | 107.4 | A823 | H821-A823 PolarHBondContact O-N 3.15Š|
| 822 | V | 33.3 | Very low | 37.6 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 87% | 0.873 | 78% | 0.778 | S | S | * | * | | | trans | -63.6 | 92.4 | 151.9 | 174.3 | 0 | 0 | 0 | 0 | 104.8 | | |
| 823 | A | 33.1 | Very low | 36.4 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | | | trans | -68.2 | 131.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | H821 R825 | H821-A823 PolarHBondContact O-N 3.15Å; A823-R825 PolarHBondContact O-N 3.29Å |
| 824 | P | 35.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | trans | -62.2 | 135.3 | 179.5 | -16.4 | 29 | 0 | 0 | 0 | 110.1 | Q826 | P824-Q826 VanDerWaalsContact C-N 3.32Å; P824-Q826 PolarHBondContact O-N 3.17Å |
| 825 | R | 28.7 | Very low | 33.8 | Very low | 253 Ų | 253 | 138 Ų | 138 | 96% | 0.955 | 78% | 0.776 | S | S | * | * | | | trans | -57.3 | 93.7 | 168.3 | -69.9 | -179.3 | 169.1 | -173.3 | -3.9 | 108.9 | A823 | A823-R825 PolarHBondContact O-N 3.29Š|
| 826 | Q | 33.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -108.9 | 107 | 164.2 | -72 | -169.9 | -17.7 | 0 | 0 | 107.7 | P824 I828 | P824-Q826 VanDerWaalsContact C-N 3.32Å; P824-Q826 PolarHBondContact O-N 3.17Å; Q826-I828 PolarHBondContact O-N 3.47Å; Q826-I828 VanDerWaalsContact O-N 3.1Å |
| 827 | N | 27 | Very low | 31.8 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -52.7 | 106.8 | 165.2 | -73.9 | -28.9 | 0 | 0 | 0 | 108.6 | | |
| 828 | I | 30 | Very low | 31.4 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -126.1 | 112.2 | 162.9 | -58.2 | 179.7 | 0 | 0 | 0 | 107.4 | Q826 | Q826-I828 PolarHBondContact O-N 3.47Å; Q826-I828 VanDerWaalsContact O-N 3.1Å |
| 829 | V | 30.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -53.3 | 137.5 | 173.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | S831 | V829-S831 PolarHBondContact O-N 3.49Š|
| 830 | S | 26.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -32.2 | 110.4 | 168 | -49 | 0 | 0 | 0 | 0 | 113.5 | | |
| 831 | S | 29.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | trans | -137.2 | 86.8 | 154.9 | 47 | 0 | 0 | 0 | 0 | 108.1 | V829 I833 | V829-S831 PolarHBondContact O-N 3.49Å; S831-I833 VanDerWaalsContact C-N 3.29Å; S831-I833 PolarHBondContact O-N 3.49Å |
| 832 | S | 28.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -72.1 | 81.3 | 172 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 833 | I | 29.8 | Very low | 29.2 | Very low | 148 Ų | 148 | 150 Ų | 150 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | -131.1 | 95 | 156.8 | -68.9 | 96.6 | 0 | 0 | 0 | 106.4 | S831 | S831-I833 VanDerWaalsContact C-N 3.29Å; S831-I833 PolarHBondContact O-N 3.49Å |
| 834 | S | 25.3 | Very low | 28.9 | Very low | 106 Ų | 106 | 157.9 Ų | 157.9 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | -113.9 | 121.6 | 159.3 | -91 | 0 | 0 | 0 | 0 | 108 | Y836 | S834-Y836 PolarHBondContact O-N 3.29Å; S834-Y836 VanDerWaalsContact O-N 3.15Å |
| 835 | P | 31.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 160.2 Ų | 160.2 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | trans | -75.4 | 105.7 | -174.2 | 29.8 | -31.4 | 0 | 0 | 0 | 109.3 | C837 | P835-C837 PolarHBondContact O-N 2.85Š|
| 836 | Y | 28.8 | Very low | 28.7 | Very low | 222 Ų | 222 | 158.1 Ų | 158.1 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -66.1 | 117 | 170.1 | -98.9 | -93.1 | 0 | 0 | 0 | 109.6 | S834 H838 | S834-Y836 PolarHBondContact O-N 3.29Å; S834-Y836 VanDerWaalsContact O-N 3.15Å; Y836-H838 PolarHBondContact O-N 3.19Å |
| 837 | C | 25.8 | Very low | 28.4 | Very low | 114 Ų | 114 | 154.4 Ų | 154.4 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -57.8 | 132.4 | 176 | -74.1 | 0 | 0 | 0 | 0 | 111.2 | P835 H839 | P835-C837 PolarHBondContact O-N 2.85Å; C837-H839 PolarHBondContact O-N 2.66Å |
| 838 | H | 29 | Very low | 28.6 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | | | trans | -56.9 | 102.1 | 173.6 | -76.6 | 37.7 | 0 | 0 | 0 | 111.6 | Y836 | Y836-H838 PolarHBondContact O-N 3.19Š|
| 839 | H | 29.8 | Very low | 28.4 | Very low | 184 Ų | 184 | 150.8 Ų | 150.8 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | | | trans | -98.4 | 87.5 | 157.8 | -97.8 | 70.7 | 0 | 0 | 0 | 108.9 | C837 H841 | C837-H839 PolarHBondContact O-N 2.66Å; H839-H841 VanDerWaalsContact C-N 3.27Å; H839-H841 PolarHBondContact O-N 2.83Å |
| 840 | R | 28.8 | Very low | 28.4 | Very low | 225 Ų | 225 | 152.6 Ų | 152.6 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | | | trans | -69.6 | 73.7 | 170.8 | -76.8 | -171.4 | 175.5 | -154.1 | 1.4 | 110.9 | | |
| 841 | H | 28.7 | Very low | 28.6 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | trans | -167.8 | 80.5 | 157.8 | -125.2 | 45.9 | 0 | 0 | 0 | 111.2 | H839 | H839-H841 VanDerWaalsContact C-N 3.27Å; H839-H841 PolarHBondContact O-N 2.83Å |
| 842 | C | 26.4 | Very low | 28.4 | Very low | 140 Ų | 140 | 156 Ų | 156 | 95% | 0.946 | 81% | 0.81 | S | S | * | * | | | trans | 176.6 | 68.2 | 151.5 | -91.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 843 | Q | 28 | Very low | 28.5 | Very low | 185 Ų | 185 | 158.8 Ų | 158.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -123.1 | 83.1 | 170.1 | -163.7 | 159.4 | 5.3 | 0 | 0 | 107.5 | | |
| 844 | R | 26.6 | Very low | 28.3 | Very low | 241 Ų | 241 | 156.4 Ų | 156.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -110.5 | 97 | 161.4 | -87.5 | -171.6 | 179.2 | 166.6 | 0.6 | 107.7 | | |
| 845 | H | 29.1 | Very low | 28.3 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | 19.3 | 103.9 | 142.3 | -66.8 | -95.2 | 0 | 0 | 0 | 116.8 | | |
| 846 | F | 29.3 | Very low | 28.2 | Very low | 208 Ų | 208 | 162.2 Ų | 162.2 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | | | | -120.7 | 94 | 130 | -89.2 | -81.3 | 0 | 0 | 0 | 107.2 | L848 | F846-L848 PolarHBondContact O-N 3.22Š|
| 847 | A | 27.9 | Very low | 28.1 | Very low | 82 Ų | 82 | 155.8 Ų | 155.8 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | trans | -83 | 102.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 848 | L | 31.6 | Very low | 28 | Very low | 167 Ų | 167 | 157.2 Ų | 157.2 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -121.3 | 75.7 | 155.3 | -74.5 | 174.5 | 0 | 0 | 0 | 106.1 | F846 | F846-L848 PolarHBondContact O-N 3.22Š|
| 849 | G | 24.8 | Very low | 28.1 | Very low | 68 Ų | 68 | 156.5 Ų | 156.5 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | -82.2 | 121.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 850 | L | 31.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 154.1 Ų | 154.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -165.1 | 120.5 | 150.3 | -105.6 | 157.9 | 0 | 0 | 0 | 110.2 | | |
| 851 | L | 28.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 63% | 0.634 | 81% | 0.805 | S | S | * | * | | | trans | 81.1 | 84.9 | 151.5 | -112.2 | 79.2 | 0 | 0 | 0 | 119 | K853 | L851-K853 HydrophobicContact CD2-CD 3.76Å; L851-K853 HydrophobicContact CD2-CG 3.97Å; L851-K853 HydrophobicContact CG-CG 4.36Å; L851-K853 PolarHBondContact O-N 3.36Å |
| 852 | D | 26.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | -52.8 | 112.5 | 134.1 | -72.3 | -43.9 | 0 | 0 | 0 | 109.6 | | |
| 853 | K | 30.3 | Very low | 27.5 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | -127.9 | 111.6 | 155.4 | -94 | -174.1 | 180 | 174.5 | 0 | 109.4 | L851 | L851-K853 HydrophobicContact CD2-CD 3.76Å; L851-K853 HydrophobicContact CD2-CG 3.97Å; L851-K853 HydrophobicContact CG-CG 4.36Å; L851-K853 PolarHBondContact O-N 3.36Å |
| 854 | S | 25 | Very low | 27.4 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -58.9 | 159.6 | 172.3 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 855 | T | 26.4 | Very low | 27.3 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 63.7 | 102.2 | 147.4 | 39.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 856 | K | 29.7 | Very low | 27.1 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | | | | -158.7 | 118.1 | 126.9 | -107.4 | 167.8 | -173.3 | -173.7 | 0 | 110.8 | | |
| 857 | A | 25.2 | Very low | 27.1 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | | | trans | -76.3 | 162.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 858 | N | 23.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | 62.4 | 104.9 | 165.9 | -72.7 | -14.5 | 0 | 0 | 0 | 116.6 | | |
| 859 | T | 31.5 | Very low | 26.8 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | | | | -162 | 129 | 103.1 | -18 | 0 | 0 | 0 | 0 | 108.7 | | |
| 860 | D | 25.4 | Very low | 27 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | -61.4 | 159.8 | 170.6 | -65.7 | -61.7 | 0 | 0 | 0 | 112.1 | | |
| 861 | E | 25.9 | Very low | 26.8 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | | | trans | 84.1 | 125.2 | 146.6 | -81.5 | 176.4 | -160.1 | 0 | 0 | 120.5 | | |
| 862 | Q | 24.9 | Very low | 27 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 65% | 0.654 | 77% | 0.772 | S | S | * | * | | | trans | 75.5 | 91.6 | 143.5 | -54.8 | -95.5 | 2.9 | 0 | 0 | 116.6 | | |
| 863 | H | 25.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | | 156.3 | 128 | 107.5 | -84.7 | -49.8 | 0 | 0 | 0 | 112.1 | | |
| 864 | S | 24.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | 37.8 | 93.1 | 146.3 | 63.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 865 | N | 25.3 | Very low | 27.9 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -143.7 | 129 | 133.5 | -138.4 | -15.9 | 0 | 0 | 0 | 111.9 | | |
| 866 | T | 26.1 | Very low | 28.4 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | | | trans | -57.8 | 134.2 | -175 | 42.2 | 0 | 0 | 0 | 0 | 112.8 | N868 | T866-N868 PolarHBondContact O-N 3.15Š|
| 867 | N | 27.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | 41.1 | 68.2 | 134.5 | -58.7 | -20.3 | 0 | 0 | 0 | 116.8 | | |
| 868 | N | 27.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | -108.2 | 70.7 | 149.8 | -76.2 | -29.2 | 0 | 0 | 0 | 107.7 | T866 P870 | T866-N868 PolarHBondContact O-N 3.15Å; N868-P870 VanDerWaalsContact O-CD 3.31Å; N868-P870 WeakPolarHBondContact O-CD 3.42Å |
| 869 | I | 26.5 | Very low | 30 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -76.6 | 113 | 161.5 | -65 | 175.3 | 0 | 0 | 0 | 104.9 | T871 | I869-T871 PolarHBondContact O-N 3.01Å; I869-T871 VanDerWaalsContact O-N 3.1Å |
| 870 | P | 28 | Very low | 30.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | | | trans | -65.3 | 116 | 174.2 | -4.9 | 21.1 | 0 | 0 | 0 | 105.8 | N868 E872 | N868-P870 VanDerWaalsContact O-CD 3.31Å; N868-P870 WeakPolarHBondContact O-CD 3.42Å; P870-E872 PolarHBondContact O-N 3.35Å |
| 871 | T | 29 | Very low | 30.9 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | -59.4 | 97.3 | 168.8 | -32.3 | 0 | 0 | 0 | 0 | 106.3 | I869 N873 | I869-T871 PolarHBondContact O-N 3.01Å; I869-T871 VanDerWaalsContact O-N 3.1Å; T871-N873 PolarHBondContact O-N 3.23Å |
| 872 | E | 32.2 | Very low | 31.8 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | -49.5 | 115.3 | 169.2 | -75.9 | -173.7 | 154.1 | 0 | 0 | 106.4 | P870 L874 | P870-E872 PolarHBondContact O-N 3.35Å; E872-L874 PolarHBondContact O-N 3.03Å |
| 873 | N | 32 | Very low | 32.6 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | | | trans | -58.6 | 86.8 | 175.8 | -91 | -60.6 | 0 | 0 | 0 | 108.6 | T871 N875 | T871-N873 PolarHBondContact O-N 3.23Å; N873-N875 PolarHBondContact O-N 3.22Å |
| 874 | L | 34.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | | | trans | -72.1 | 49 | 166.4 | -163.5 | 85.8 | 0 | 0 | 0 | 109.7 | E872 | E872-L874 PolarHBondContact O-N 3.03Š|
| 875 | N | 33.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | trans | -126.6 | 17 | 178.6 | -81.4 | -25.5 | 0 | 0 | 0 | 112 | N873 | N873-N875 PolarHBondContact O-N 3.22Š|
| 876 | K | 36.8 | Very low | 34.7 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -100.7 | -8.5 | 178.9 | -92.4 | -175 | 177.7 | 179 | 0 | 116.4 | | |
| 877 | S | 37.8 | Very low | 35.1 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -99.8 | -10.5 | -175 | 76 | 0 | 0 | 0 | 0 | 116.1 | N879 | S877-N879 VanDerWaalsContact C-N 3.29Å; S877-N879 PolarHBondContact O-N 2.73Å |
| 878 | I | 37.3 | Very low | 35.8 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 54% | 0.544 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -81.9 | -8.7 | -172.4 | -25.5 | 178.2 | 0 | 0 | 0 | 113 | | |
| 879 | N | 38.4 | Very low | 36.6 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 83% | 0.829 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -89.3 | 0.1 | -177.6 | -74.5 | -12.1 | 0 | 0 | 0 | 115 | S877 | S877-N879 VanDerWaalsContact C-N 3.29Å; S877-N879 PolarHBondContact O-N 2.73Å |
| 880 | E | 41.9 | Very low | 37.3 | Very low | 177 Ų | 177 | 129.6 Ų | 129.6 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -100.4 | 10 | -179.1 | -76.5 | -169.6 | 165.1 | 0 | 0 | 115.2 | P882 | E880-P882 VanDerWaalsContact O-CD 3.3Å; E880-P882 WeakPolarHBondContact O-CD 3.44Å |
| 881 | S | 33.6 | Very low | 37.6 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | | | trans | -96.1 | 107.4 | 172.3 | -78.1 | 0 | 0 | 0 | 0 | 111.6 | I883 L884 | S881-I883 PolarHBondContact O-N 2.69Å; S881-L884 PolarHBondContact O-N 3.07Å; S881-L884 VanDerWaalsContact O-N 3.13Å |
| 882 | P | 45.1 | Very low | 38 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -62.8 | -11.5 | -179 | -19.4 | 32.1 | 0 | 0 | 0 | 114.1 | E880 | E880-P882 VanDerWaalsContact O-CD 3.3Å; E880-P882 WeakPolarHBondContact O-CD 3.44Å |
| 883 | I | 40.6 | Very low | 38.1 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 65% | 0.651 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.3 | -34.6 | -180 | -56.1 | 176.9 | 0 | 0 | 0 | 110.5 | S881 Y887 | S881-I883 PolarHBondContact O-N 2.69Å; I883-Y887 WeakPolarHBondContact O-CD2 3.45Å |
| 884 | L | 42 | Very low | 38.2 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 53% | 0.534 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -83.6 | -26.1 | 179.3 | -71.5 | 173.2 | 0 | 0 | 0 | 113.1 | S881 R886 Y887 S888 | S881-L884 PolarHBondContact O-N 3.07Å; S881-L884 VanDerWaalsContact O-N 3.13Å; L884-R886 PolarHBondContact O-N 3.5Å; L884-Y887 PolarHBondContact O-N 2.85Å; L884-Y887 VanDerWaalsContact O-N 3.13Å; L884-S888 PolarHBondContact O-N 3.17Å |
| 885 | C | 41 | Very low | 38.3 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 49% | 0.486 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.9 | -25.3 | 174.4 | -162.9 | 0 | 0 | 0 | 0 | 112.4 | S888 Q889 | C885-S888 PolarHBondContact O-OG 3.49Å; C885-Q889 WeakPolarHBondContact O-CG 3.31Å; C885-Q889 PolarHBondContact O-N 2.82Å |
| 886 | R | 37.7 | Very low | 38.3 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.5 | -28.6 | 174.3 | -71.3 | -157.5 | -175.1 | -163.1 | 2.8 | 113.9 | L884 | L884-R886 PolarHBondContact O-N 3.5Å |
| 887 | Y | 34.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.7 | -31.5 | 178.3 | -76 | -74.3 | 0 | 0 | 0 | 112.2 | I883 L884 Q889 L890 Y891 | I883-Y887 WeakPolarHBondContact O-CD2 3.45Å; L884-Y887 PolarHBondContact O-N 2.85Å; L884-Y887 VanDerWaalsContact O-N 3.13Å; Y887-Q889 VanDerWaalsContact C-N 3.32Å; Y887-Q889 PolarHBondContact O-N 2.94Å; Y887-L890 PolarHBondContact O-N 2.71Å; Y887-Y891 PolarHBondContact O-N 3.09Å |
| 888 | S | 40.9 | Very low | 37.7 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 50% | 0.497 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -70.9 | -26.6 | 173.5 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | L884 C885 Y891 S892 | L884-S888 PolarHBondContact O-N 3.17Å; C885-S888 PolarHBondContact O-OG 3.49Å; S888-Y891 CarbonylContact O-C 3.33Å; S888-S892 PolarHBondContact O-N 2.78Å; S888-S892 PolarHBondContact O-OG 2.97Å |
| 889 | Q | 45.1 | Very low | 37.3 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.3 | -30.8 | 174 | -74.1 | -179 | -8.6 | 0 | 0 | 113.3 | C885 Y887 | C885-Q889 WeakPolarHBondContact O-CG 3.31Å; C885-Q889 PolarHBondContact O-N 2.82Å; Y887-Q889 VanDerWaalsContact C-N 3.32Å; Y887-Q889 PolarHBondContact O-N 2.94Å |
| 890 | L | 40.8 | Very low | 36.8 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.6 | -23.9 | 177.6 | -70.5 | 174.2 | 0 | 0 | 0 | 112.9 | Y887 | Y887-L890 PolarHBondContact O-N 2.71Å |
| 891 | Y | 35.1 | Very low | 36.2 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 44 | 168.7 | -63.9 | -78.9 | 0 | 0 | 0 | 111.2 | Y887 S888 L893 | Y887-Y891 PolarHBondContact O-N 3.09Å; S888-Y891 CarbonylContact O-C 3.33Å; Y891-L893 PolarHBondContact O-N 3.04Å |
| 892 | S | 37.6 | Very low | 35.9 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 57% | 0.566 | 69% | 0.693 | S | S | * | * | | | trans | -73.7 | 77.4 | 155.1 | -64.5 | 0 | 0 | 0 | 0 | 107 | S888 N894 | S888-S892 PolarHBondContact O-N 2.78Å; S888-S892 PolarHBondContact O-OG 2.97Å; S892-N894 PolarHBondContact O-N 2.97Å; S892-N894 VanDerWaalsContact O-N 3.14Å |
| 893 | L | 34.4 | Very low | 35.2 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | | | trans | -52.3 | 121.4 | 153.4 | -81.3 | 163.4 | 0 | 0 | 0 | 104.6 | Y891 T895 | Y891-L893 PolarHBondContact O-N 3.04Å; L893-T895 PolarHBondContact O-N 2.76Å |
| 894 | N | 34.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | | | trans | -59.2 | 81.7 | 162.9 | -74.2 | -26.4 | 0 | 0 | 0 | 106.1 | S892 E896 | S892-N894 PolarHBondContact O-N 2.97Å; S892-N894 VanDerWaalsContact O-N 3.14Å; N894-E896 PolarHBondContact O-N 2.96Å |
| 895 | T | 36.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | | | trans | -66.5 | 91.1 | 155.6 | 47.3 | 0 | 0 | 0 | 0 | 102.8 | L893 A897 | L893-T895 PolarHBondContact O-N 2.76Å; T895-A897 PolarHBondContact O-N 2.96Å |
| 896 | E | 31.9 | Very low | 32.9 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | trans | -45.5 | 96.8 | 148.8 | -73.2 | -178.6 | 167.5 | 0 | 0 | 104.5 | N894 K898 | N894-E896 PolarHBondContact O-N 2.96Å; E896-K898 PolarHBondContact O-N 3.17Å |
| 897 | A | 33.6 | Very low | 32.4 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | | | trans | -65.4 | 84.2 | 170 | 0 | 0 | 0 | 0 | 0 | 103.9 | T895 K899 | T895-A897 PolarHBondContact O-N 2.96Å; A897-K899 PolarHBondContact O-N 3.08Å |
| 898 | K | 29.6 | Very low | 32.1 | Very low | 189 Ų | 189 | 138.1 Ų | 138.1 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -54.7 | 101.5 | 162.9 | -140.3 | 176.1 | -172.5 | 177.6 | 0 | 102.5 | E896 I900 | E896-K898 PolarHBondContact O-N 3.17Å; K898-I900 VanDerWaalsContact C-N 3.27Å; K898-I900 PolarHBondContact O-N 3Å |
| 899 | K | 29.1 | Very low | 31.7 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | | | trans | -51.3 | 102.3 | 173.8 | -77.3 | 179 | 175 | 179.8 | 0 | 105.5 | A897 N901 | A897-K899 PolarHBondContact O-N 3.08Å; K899-N901 PolarHBondContact O-N 3.1Å |
| 900 | I | 28.1 | Very low | 30.8 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -70 | 95 | 161.7 | -62.1 | 175 | 0 | 0 | 0 | 101.8 | K898 D902 | K898-I900 VanDerWaalsContact C-N 3.27Å; K898-I900 PolarHBondContact O-N 3Å; I900-D902 VanDerWaalsContact C-N 3.29Å; I900-D902 PolarHBondContact O-N 3.27Å |
| 901 | N | 29.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -63.9 | 103.3 | 166.5 | -91.2 | -8.9 | 0 | 0 | 0 | 105.4 | K899 N903 | K899-N901 PolarHBondContact O-N 3.1Å; N901-N903 VanDerWaalsContact C-N 3.27Å; N901-N903 PolarHBondContact O-N 3.27Å |
| 902 | D | 26.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -55.4 | 96.8 | 155.7 | -66.9 | -38.7 | 0 | 0 | 0 | 107.3 | I900 | I900-D902 VanDerWaalsContact C-N 3.29Å; I900-D902 PolarHBondContact O-N 3.27Å |
| 903 | N | 30 | Very low | 29.1 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -128.9 | 93.9 | 155.1 | -84.2 | -29.8 | 0 | 0 | 0 | 106.3 | N901 | N901-N903 VanDerWaalsContact C-N 3.27Å; N901-N903 PolarHBondContact O-N 3.27Å |
| 904 | N | 25.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -42.1 | 139.6 | 157.9 | -80.5 | -35.5 | 0 | 0 | 0 | 109.9 | N906 | N904-N906 PolarHBondContact O-N 2.95Š|
| 905 | G | 23.4 | Very low | 28.1 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -48 | 134.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 906 | N | 27.3 | Very low | 27.7 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -135.6 | 136.6 | 137.9 | -160.5 | 7.8 | 0 | 0 | 0 | 107.6 | N904 | N904-N906 PolarHBondContact O-N 2.95Š|
| 907 | D | 26.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | -66.4 | 164.2 | -167.1 | -60.8 | -58.1 | 0 | 0 | 0 | 113.2 | | |
| 908 | N | 28.6 | Very low | 27.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | 71.3 | 94.1 | 153.4 | -51.6 | -37.1 | 0 | 0 | 0 | 116.7 | | |
| 909 | N | 31.6 | Very low | 26.9 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | | -169.6 | 104.1 | 123.4 | -88.2 | -36.5 | 0 | 0 | 0 | 110.9 | | |
| 910 | N | 27.1 | Very low | 26.8 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | 29.3 | 146.9 | 148.8 | -97.7 | -13.2 | 0 | 0 | 0 | 123.5 | | |
| 911 | P | 26.2 | Very low | 26.9 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | -82 | 137.5 | -163.5 | 34.5 | -35 | 0 | 0 | 0 | 114 | N913 | P911-N913 PolarHBondContact O-N 3.48Š|
| 912 | I | 24.8 | Very low | 26.8 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | 11.1 | 103.1 | 134.4 | -51.9 | 172.8 | 0 | 0 | 0 | 114.6 | | |
| 913 | N | 25.8 | Very low | 26.8 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -112.9 | 93.9 | 153.3 | -170.5 | -4.7 | 0 | 0 | 0 | 107.8 | P911 | P911-N913 PolarHBondContact O-N 3.48Š|
| 914 | C | 20.8 | Very low | 26.6 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -101 | 113.8 | 157.6 | -67 | 0 | 0 | 0 | 0 | 105.9 | | |
| 915 | N | 26.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | -169.4 | 136.7 | 141.2 | -100.6 | -17.5 | 0 | 0 | 0 | 113.3 | | |
| 916 | S | 27.7 | Very low | 26.8 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | 82 | 91.3 | 146 | -47 | 0 | 0 | 0 | 0 | 118.8 | | |
| 917 | Y | 23.6 | Very low | 26.8 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | | -5.5 | 124.6 | 128.2 | -98.5 | -106.9 | 0 | 0 | 0 | 115.7 | | |
| 918 | S | 30.4 | Very low | 26.9 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | -148.8 | 102.2 | 144.9 | -79 | 0 | 0 | 0 | 0 | 108.7 | | |
| 919 | Q | 25.2 | Very low | 26.9 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 64% | 0.64 | 78% | 0.775 | S | S | * | * | | | trans | -78.1 | 168.7 | 160.2 | -70.4 | 178.1 | -17.5 | 0 | 0 | 108.8 | | |
| 920 | Y | 26.8 | Very low | 26.7 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | 82.3 | 124.3 | -173.4 | -56.1 | -83.9 | 0 | 0 | 0 | 112.4 | | |
| 921 | T | 31 | Very low | 26.6 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | cis | -160.1 | 147.4 | 41.7 | -30.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 922 | A | 26 | Very low | 26.7 | Very low | 76 Ų | 76 | 139 Ų | 139 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | | | trans | -83.7 | 156.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 923 | I | 26.6 | Very low | 26.8 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 79.8 | 94.9 | 147.7 | -58.1 | 152.5 | 0 | 0 | 0 | 117.4 | | |
| 924 | N | 26.1 | Very low | 26.8 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | | 14.5 | 113.5 | 123.1 | -61.2 | -18.3 | 0 | 0 | 0 | 117.2 | | |
| 925 | N | 30.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -136 | 100.5 | 140.9 | -96.1 | -25.1 | 0 | 0 | 0 | 108.9 | | |
| 926 | M | 24.6 | Very low | 27.1 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -83 | 115.4 | 163.3 | -67.3 | 173.3 | 175.6 | 0 | 0 | 107.2 | | |
| 927 | T | 26.7 | Very low | 27 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -177.1 | 146.1 | 145.9 | 6.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 928 | S | 28.2 | Very low | 27.3 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | 101.2 | 107.5 | 154.3 | -55 | 0 | 0 | 0 | 0 | 117 | | |
| 929 | S | 27.8 | Very low | 27.2 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | 74.1 | 143.7 | 134.2 | -40 | 0 | 0 | 0 | 0 | 116.8 | | |
| 930 | A | 28.1 | Very low | 27.3 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | | | cis | -172.6 | 135.2 | -14 | 0 | 0 | 0 | 0 | 0 | 102.9 | | |
| 931 | I | 25.1 | Very low | 27.5 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | 34.3 | 94.6 | 140.2 | -46 | 171.4 | 0 | 0 | 0 | 115.7 | | |
| 932 | H | 29 | Very low | 27.2 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | | | | -164.6 | 130.6 | 116.2 | -109.2 | -78.5 | 0 | 0 | 0 | 110.8 | | |
| 933 | T | 26.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -60.7 | 157.4 | 174.2 | 9.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 934 | S | 26.6 | Very low | 27.5 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | 82.2 | 96.1 | 160 | 71.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 935 | N | 25.8 | Very low | 27.7 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | | 47.7 | 94.1 | 121 | -59.6 | -18.9 | 0 | 0 | 0 | 116.1 | | |
| 936 | N | 26.5 | Very low | 27.5 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | | | | -138.8 | 114.5 | 118.9 | -94.7 | -34.6 | 0 | 0 | 0 | 111 | | |
| 937 | K | 27.1 | Very low | 27.5 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -72.3 | 132.3 | 177.6 | -137 | 172.8 | -179.8 | 174.7 | 0 | 107.6 | | |
| 938 | T | 29.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | trans | 48.5 | 106.1 | 145.2 | 39.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 939 | N | 27.6 | Very low | 27.4 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | 20.4 | 111.4 | 133.3 | -68.4 | -10.9 | 0 | 0 | 0 | 117.3 | | |
| 940 | T | 27.6 | Very low | 27.3 | Very low | 131 Ų | 131 | 141 Ų | 141 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -44.8 | 161.7 | 136.2 | 25.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 941 | P | 31.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | cis | -135.6 | 118.6 | -6.5 | 26.5 | -3.8 | 0 | 0 | 0 | 112.5 | | |
| 942 | S | 24.9 | Very low | 27.2 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.9 | 114.9 | 160.7 | 60.4 | 0 | 0 | 0 | 0 | 110 | | |
| 943 | L | 24.7 | Very low | 27 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | 70.2 | 133.8 | 154.2 | -76.6 | 96.1 | 0 | 0 | 0 | 120.7 | | |
| 944 | P | 33.5 | Very low | 27.1 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -87 | 160.2 | 174.2 | 38.5 | -33.3 | 0 | 0 | 0 | 110.6 | | |
| 945 | P | 30.2 | Very low | 27.1 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | | | trans | -145.5 | 140.8 | 144.7 | 34.1 | -16.9 | 0 | 0 | 0 | 114.1 | | |
| 946 | H | 25.9 | Very low | 27.1 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | 72.3 | 138.5 | 154 | -63.1 | -48.2 | 0 | 0 | 0 | 116.2 | | |
| 947 | R | 25.6 | Very low | 27.1 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | | | cis | -174.8 | 148.9 | 6 | -115.9 | -172.6 | -172.5 | 174.4 | 2.4 | 104.4 | | |
| 948 | Y | 24.4 | Very low | 27 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | | | trans | 90.7 | 131.7 | 133.9 | -92.1 | -124.3 | 0 | 0 | 0 | 121.3 | | |
| 949 | I | 27.5 | Very low | 26.9 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | trans | 86.3 | 134 | 143.4 | -63 | 156.5 | 0 | 0 | 0 | 114.9 | | |
| 950 | H | 25 | Very low | 26.8 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | | | cis | 174.1 | 156.5 | -14.7 | -149.6 | -76 | 0 | 0 | 0 | 104.4 | | |
| 951 | Y | 24.7 | Very low | 26.6 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | trans | 70.5 | 145.2 | 160.8 | -68.3 | -57.5 | 0 | 0 | 0 | 117.3 | | |
| 952 | E | 27.2 | Very low | 26.3 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | cis | -162.7 | 132 | 2.7 | -111.1 | -161.1 | 144.7 | 0 | 0 | 105.3 | | |
| 953 | Q | 24.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | | | | 89.6 | 137.2 | 98.9 | -147.2 | -166.8 | 90.3 | 0 | 0 | 114.5 | | |
| 954 | Q | 28.3 | Very low | 26.5 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | trans | 84.5 | 142.2 | 163.9 | -50.5 | -169.4 | 19 | 0 | 0 | 117.2 | | |
| 955 | Q | 26.4 | Very low | 26.2 | Very low | 134 Ų | 134 | 155 Ų | 155 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | | | cis | -171.2 | 149.5 | -6.8 | -106.4 | -172.5 | 93.4 | 0 | 0 | 107.1 | | |
| 956 | Q | 26.6 | Very low | 26.1 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | | | trans | 63.4 | 114.5 | 144.7 | -63.5 | -179 | 23.3 | 0 | 0 | 123.2 | | |
| 957 | Q | 25.5 | Very low | 26.1 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | | | | 37.6 | 107.5 | 125.1 | -63 | -179.4 | 36 | 0 | 0 | 120.4 | | |
| 958 | Q | 25.8 | Very low | 26.3 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | | | | 164.2 | 152.3 | 122.2 | -92.1 | -177.7 | -5.2 | 0 | 0 | 109.1 | | |
| 959 | F | 27.8 | Very low | 26.4 | Very low | 194 Ų | 194 | 156 Ų | 156 | 85% | 0.851 | 74% | 0.738 | S | S | * | * | | | trans | 96.5 | 123.4 | 172.1 | -70 | -83.9 | 0 | 0 | 0 | 120.7 | | |
| 960 | S | 24.5 | Very low | 26.4 | Very low | 96 Ų | 96 | 156.7 Ų | 156.7 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | 78.8 | 103.6 | 139.1 | -113.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 961 | T | 24.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | | 45.3 | 104.6 | 118.2 | 57.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 962 | H | 25 | Very low | 26.7 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | | | | 160.3 | 97.3 | 111.3 | -95.9 | -52.8 | 0 | 0 | 0 | 109.5 | H964 | H962-H964 PolarHBondContact O-N 3.11Š|
| 963 | H | 26.9 | Very low | 27.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 93% | 0.931 | 75% | 0.75 | S | S | * | * | | | trans | -77.2 | 104.2 | 161.4 | -97.2 | -1.3 | 0 | 0 | 0 | 109 | | |
| 964 | H | 25.8 | Very low | 27.3 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | -91.1 | 125.5 | 156.9 | -107.4 | 29.8 | 0 | 0 | 0 | 108.7 | H962 | H962-H964 PolarHBondContact O-N 3.11Š|
| 965 | H | 28.3 | Very low | 27.4 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | | | trans | 32.5 | 114.2 | 137.4 | -84.4 | 56.6 | 0 | 0 | 0 | 117.7 | | |
| 966 | H | 26.8 | Very low | 27.4 | Very low | 163 Ų | 163 | 159 Ų | 159 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -158.6 | 127.3 | 132.2 | -104.1 | -38.6 | 0 | 0 | 0 | 114.2 | | |
| 967 | H | 26.2 | Very low | 27.4 | Very low | 135 Ų | 135 | 160.4 Ų | 160.4 | 63% | 0.625 | 78% | 0.781 | S | S | * | * | | | trans | 45 | 111.3 | 135.9 | -68.8 | -37.1 | 0 | 0 | 0 | 119.9 | | |
| 968 | H | 30.3 | Very low | 27.5 | Very low | 182 Ų | 182 | 160.9 Ų | 160.9 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | | -144.3 | 98.5 | 116.2 | -98.8 | -54.9 | 0 | 0 | 0 | 110.4 | | |
| 969 | H | 25.7 | Very low | 27.4 | Very low | 174 Ų | 174 | 159.1 Ų | 159.1 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | -80.9 | 108 | 149.3 | -82 | -72 | 0 | 0 | 0 | 106.8 | | |
| 970 | H | 27.6 | Very low | 27.4 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -127 | 133 | 143.5 | -100.1 | -45.7 | 0 | 0 | 0 | 108 | | |
| 971 | P | 30.2 | Very low | 27.7 | Very low | 120 Ų | 120 | 159 Ų | 159 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 136.5 | -164.9 | 30 | -33.2 | 0 | 0 | 0 | 111.9 | | |
| 972 | H | 26.5 | Very low | 27.8 | Very low | 184 Ų | 184 | 160.9 Ų | 160.9 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 167.1 | 165.9 | -107.9 | -89 | 0 | 0 | 0 | 111.5 | | |
| 973 | P | 35.4 | Very low | 28.1 | Very low | 94 Ų | 94 | 157.2 Ų | 157.2 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 156.3 | -143.7 | 35 | -37.8 | 0 | 0 | 0 | 114.6 | Q975 | P973-Q975 PolarHBondContact O-N 3.25Š|
| 974 | V | 28.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -62.4 | 92.8 | 162.9 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | Y976 | V974-Y976 HydrophobicContact CG1-CD2 4.03Å; V974-Y976 HydrophobicContact CG1-CE2 4.12Å |
| 975 | Q | 31 | Very low | 28.5 | Very low | 175 Ų | 175 | 151.7 Ų | 151.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -83.8 | 106.1 | 161.3 | -87.8 | -171.9 | -28.7 | 0 | 0 | 108.9 | P973 Q977 | P973-Q975 PolarHBondContact O-N 3.25Å; Q975-Q977 PolarHBondContact O-N 3.41Å |
| 976 | Y | 26.3 | Very low | 28.7 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -61.2 | 102.6 | 160.4 | -90.4 | -97.8 | 0 | 0 | 0 | 109.6 | V974 | V974-Y976 HydrophobicContact CG1-CD2 4.03Å; V974-Y976 HydrophobicContact CG1-CE2 4.12Å |
| 977 | Q | 27.5 | Very low | 28.9 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | -164.2 | 79.8 | 157.9 | -126.4 | 168.4 | 4.4 | 0 | 0 | 112.6 | Q975 | Q975-Q977 PolarHBondContact O-N 3.41Š|
| 978 | Q | 26.3 | Very low | 29.3 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -156.9 | 81.3 | 158.7 | -142.8 | 167.6 | 6 | 0 | 0 | 112.8 | | |
| 979 | C | 25.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | | | trans | -123.7 | 71.2 | 158 | -72.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 980 | Q | 28.3 | Very low | 29.6 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -98.8 | 99.5 | 158.5 | -81.1 | -170.4 | -9.7 | 0 | 0 | 107.9 | N982 | Q980-N982 PolarHBondContact O-N 3.46Å; Q980-N982 VanDerWaalsContact O-N 3.11Å |
| 981 | S | 29.1 | Very low | 30 | Very low | 116 Ų | 116 | 157 Ų | 157 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -61.4 | 96 | 168.6 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 982 | N | 27.5 | Very low | 30.4 | Very low | 146 Ų | 146 | 158.6 Ų | 158.6 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | | | trans | -96.6 | 114.6 | 163.6 | -84.3 | -21.3 | 0 | 0 | 0 | 109 | Q980 S984 | Q980-N982 PolarHBondContact O-N 3.46Å; Q980-N982 VanDerWaalsContact O-N 3.11Å; N982-S984 PolarHBondContact O-N 3.3Å; N982-S984 VanDerWaalsContact O-N 3.08Å |
| 983 | A | 30.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 157.5 Ų | 157.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | | | trans | -60.9 | 107.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | N985 | A983-N985 PolarHBondContact O-N 3.18Š|
| 984 | S | 30.6 | Very low | 31.2 | Very low | 94 Ų | 94 | 158.7 Ų | 158.7 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | | | trans | -68.5 | 101.4 | 170.9 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | N982 H986 | N982-S984 PolarHBondContact O-N 3.3Å; N982-S984 VanDerWaalsContact O-N 3.08Å; S984-H986 PolarHBondContact O-N 2.98Å |
| 985 | N | 31.7 | Very low | 31.7 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | -59.1 | 98.9 | 168.1 | -83.3 | -46.8 | 0 | 0 | 0 | 109.9 | A983 R987 | A983-N985 PolarHBondContact O-N 3.18Å; N985-R987 VanDerWaalsContact C-N 3.29Å; N985-R987 PolarHBondContact O-N 3.26Å |
| 986 | H | 32.4 | Very low | 32 | Very low | 183 Ų | 183 | 160.5 Ų | 160.5 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | -67.2 | 84.3 | 165.1 | -81.3 | -79.5 | 0 | 0 | 0 | 109.8 | S984 | S984-H986 PolarHBondContact O-N 2.98Š|
| 987 | R | 30.4 | Very low | 32.6 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | | | trans | -142.4 | 59.6 | 169.8 | -154.3 | 179.4 | -171.1 | -171.3 | 3.2 | 112.3 | N985 | N985-R987 VanDerWaalsContact C-N 3.29Å; N985-R987 PolarHBondContact O-N 3.26Å |
| 988 | S | 34.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 156.3 Ų | 156.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -157.5 | 84.1 | 172.4 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 989 | N | 32.5 | Very low | 34 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -156.9 | 10.5 | 158.2 | -106.2 | -26 | 0 | 0 | 0 | 116.2 | | |
| 990 | Y | 30.9 | Very low | 34.7 | Very low | 230 Ų | 230 | 155.7 Ų | 155.7 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -100.7 | 7 | 179.9 | -90.1 | -79.1 | 0 | 0 | 0 | 115.5 | | |
| 991 | K | 36 | Very low | 35.5 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -105.3 | -9.6 | 179.1 | -96.5 | -174.1 | 174.8 | -177 | 0 | 115.9 | | |
| 992 | Q | 37.7 | Very low | 35.7 | Very low | 154 Ų | 154 | 159.5 Ų | 159.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -89.4 | -8.9 | -177.9 | -117.8 | 174.7 | 6.4 | 0 | 0 | 114.9 | | |
| 993 | L | 36.3 | Very low | 36.3 | Very low | 161 Ų | 161 | 164.7 Ų | 164.7 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -86.2 | -14.5 | 179.3 | -122.2 | 86.9 | 0 | 0 | 0 | 114.6 | | |
| 994 | V | 42.7 | Very low | 36.6 | Very low | 119 Ų | 119 | 168.2 Ų | 168.2 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -92.1 | -18 | -176.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 995 | E | 38.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 172.1 Ų | 172.1 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -89 | -13 | -175.2 | -140.1 | 173.1 | -168.2 | 0 | 0 | 113.9 | | |
| 996 | F | 37.2 | Very low | 37.2 | Very low | 180 Ų | 180 | 173.1 Ų | 173.1 | 79% | 0.789 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -81.7 | -14 | 179.7 | -122.5 | -88.7 | 0 | 0 | 0 | 114.2 | | |
| 997 | D | 39.1 | Very low | 37.5 | Very low | 139 Ų | 139 | 172.5 Ų | 172.5 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -94.1 | -8 | -174.2 | -125.5 | -3 | 0 | 0 | 0 | 114.6 | | |
| 998 | M | 41.3 | Very low | 37.9 | Very low | 169 Ų | 169 | 168.4 Ų | 168.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -96.4 | -7.6 | -179.9 | -80.9 | -150 | 165.1 | 0 | 0 | 115.5 | | |
| 999 | K | 41.9 | Very low | 38.2 | Very low | 179 Ų | 179 | 172.5 Ų | 172.5 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -88.7 | -12.7 | -178.8 | -91.6 | 179.9 | 178.2 | 171.4 | 0 | 115.6 | | |
| 1000 | N | 39.8 | Very low | 38.6 | Very low | 131 Ų | 131 | 174.5 Ų | 174.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -102.1 | 3.8 | -178.8 | -77.2 | -20.4 | 0 | 0 | 0 | 115.3 | R1002 | N1000-R1002 VanDerWaalsContact C-N 3.32Š|
| 1001 | V | 45.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 170.2 Ų | 170.2 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -92.7 | 11.5 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 112 | | |
| 1002 | R | 34.1 | Very low | 39.4 | Very low | 240 Ų | 240 | 168.2 Ų | 168.2 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | | | trans | -130.3 | 21.8 | 177.7 | -105.1 | -171.5 | -162.3 | -178.9 | 7.2 | 116.1 | N1000 | N1000-R1002 VanDerWaalsContact C-N 3.32Š|
| 1003 | K | 39.6 | Very low | 39.6 | Very low | 254 Ų | 254 | 169.5 Ų | 169.5 | 100% | 1.104 | 82% | 0.815 | S | S | * | * | | | trans | -122.3 | 0 | 159.5 | -80.3 | -176.8 | 176.9 | 178.4 | 0 | 108.1 | | |