| 1 | M | 47.1 | Very low | 63.8 | Low | 240 Ų | 240 | 146.9 Ų | 146.9 | 100% | 1.182 | 79% | 0.791 | S | S | * | * | | | | 0 | 109.1 | 0 | -171.5 | -168.5 | -57.9 | 0 | 0 | 107.6 | | |
| 2 | Y | 44 | Very low | 64 | Low | 238 Ų | 238 | 151.5 Ų | 151.5 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | | | trans | -86.5 | 117.4 | -171.9 | -74.4 | -79.1 | 0 | 0 | 0 | 112.3 | | |
| 3 | A | 55.4 | Low | 63.9 | Low | 92 Ų | 92 | 145.8 Ų | 145.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -100.9 | 111.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | S5 | A3-S5 PolarHBondContact O-N 2.91Š|
| 4 | T | 66.8 | Low | 63.9 | Low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -94.1 | 94.4 | -178.1 | 41.9 | 0 | 0 | 0 | 0 | 112.1 | K6 | T4-K6 PolarHBondContact O-N 3.45Š|
| 5 | S | 57.1 | Low | 64.3 | Low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 78.7 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | A3 L7 | A3-S5 PolarHBondContact O-N 2.91Å; S5-L7 PolarHBondContact O-N 3.45Å |
| 6 | K | 67.8 | Low | 65.1 | Low | 188 Ų | 188 | 147.6 Ų | 147.6 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -70 | 100.6 | 171.5 | -70.8 | -157.6 | 174.9 | -166.2 | 0 | 111.1 | T4 I8 | T4-K6 PolarHBondContact O-N 3.45Å; K6-I8 PolarHBondContact O-N 3Å |
| 7 | L | 66.9 | Low | 65.8 | Low | 140 Ų | 140 | 144.4 Ų | 144.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -58.1 | 121.9 | 163.9 | -99.3 | 160.7 | 0 | 0 | 0 | 109.6 | S5 | S5-L7 PolarHBondContact O-N 3.45Š|
| 8 | I | 72.3 | Confident | 66.2 | Low | 152 Ų | 152 | 143.1 Ų | 143.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -102.9 | 100.1 | 170.6 | -58.8 | 176.8 | 0 | 0 | 0 | 106.7 | K6 P10 | K6-I8 PolarHBondContact O-N 3Å; I8-P10 WeakPolarHBondContact O-CD 3.11Å |
| 9 | I | 78.9 | Confident | 66.7 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 70% | 0.697 | 76% | 0.755 | S | S | * | * | | | trans | -85 | 113.7 | 173.2 | -57.7 | 174.9 | 0 | 0 | 0 | 107.3 | | |
| 10 | P | 68.5 | Low | 67.2 | Low | 66 Ų | 66 | 142.2 Ų | 142.2 | 43% | 0.429 | 75% | 0.753 | S | S | . | * | | | trans | -71.9 | 145.3 | 171.9 | 31.1 | -33.8 | 0 | 0 | 0 | 110 | I8 K12 F19 | I8-P10 WeakPolarHBondContact O-CD 3.11Å; P10-K12 PolarHBondContact O-N 3.09Å; P10-F19 HydrophobicContact CG-CE2 4.26Å |
| 11 | P | 77 | Confident | 67.5 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -64.5 | 124.5 | 176.4 | 26.3 | -33.4 | 0 | 0 | 0 | 111 | | |
| 12 | K | 66.7 | Low | 68.8 | Low | 202 Ų | 202 | 137.2 Ų | 137.2 | 88% | 0.878 | 73% | 0.726 | S | S | * | * | | | trans | 23.8 | 89.2 | 165.7 | -66.8 | -177.1 | 178.1 | 178.7 | 0 | 116.2 | P10 | P10-K12 PolarHBondContact O-N 3.09Š|
| 13 | P | 61.9 | Low | 70.1 | Confident | 78 Ų | 78 | 133.1 Ų | 133.1 | 51% | 0.506 | 72% | 0.72 | S | S | . | * | | | trans | -62.6 | 165.2 | 159.2 | 29.8 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 14 | A | 64.5 | Low | 70.8 | Confident | 78 Ų | 78 | 139.4 Ų | 139.4 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | | | trans | -61.3 | 156.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D16 | A14-D16 VanDerWaalsContact C-N 3.25Å; A14-D16 PolarHBondContact O-N 3.21Å; A14-D16 VanDerWaalsContact O-N 3.09Å |
| 15 | R | 70.2 | Confident | 71.2 | Confident | 241 Ų | 241 | 140.2 Ų | 140.2 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -30.4 | -164.5 | -87.8 | -178.1 | 165.1 | 167 | -5.2 | 115.2 | | |
| 16 | D | 76.3 | Confident | 71.9 | Confident | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 19.2 | -156.6 | -44.1 | -71.2 | 0 | 0 | 0 | 114.2 | A14 | A14-D16 VanDerWaalsContact C-N 3.25Å; A14-D16 PolarHBondContact O-N 3.21Å; A14-D16 VanDerWaalsContact O-N 3.09Å |
| 17 | T | 76.9 | Confident | 71.8 | Confident | 93 Ų | 93 | 144.2 Ų | 144.2 | 57% | 0.571 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -120.2 | 126.4 | 175.7 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | F19 | T17-F19 PolarHBondContact O-N 3.28Š|
| 18 | P | 73.5 | Confident | 71.8 | Confident | 120 Ų | 120 | 149.1 Ų | 149.1 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -65.6 | 130.5 | -178.9 | 25.7 | -33.7 | 0 | 0 | 0 | 112.2 | I20 | P18-I20 PolarHBondContact O-N 3.25Š|
| 19 | F | 74.9 | Confident | 71.3 | Confident | 128 Ų | 128 | 150.7 Ų | 150.7 | 56% | 0.561 | 74% | 0.738 | S | S | * | * | | | trans | -77 | 111 | -175.8 | 176.2 | -99.2 | 0 | 0 | 0 | 112 | P10 T17 P21 | P10-F19 HydrophobicContact CG-CE2 4.26Å; T17-F19 PolarHBondContact O-N 3.28Å; F19-P21 HydrophobicContact CE1-CB 3.79Å; F19-P21 HydrophobicContact CE1-CG 4.25Å; F19-P21 HydrophobicContact CZ-CB 4.21Å; F19-P21 WeakPolarHBondContact O-CD 3.35Å |
| 20 | I | 77.3 | Confident | 70.2 | Confident | 141 Ų | 141 | 149.5 Ų | 149.5 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | trans | -103.2 | 105.8 | 173.9 | -56.9 | 177.8 | 0 | 0 | 0 | 109.5 | P18 K22 | P18-I20 PolarHBondContact O-N 3.25Å; I20-K22 PolarHBondContact O-N 2.79Å |
| 21 | P | 74.2 | Confident | 69.8 | Low | 79 Ų | 79 | 152.3 Ų | 152.3 | 51% | 0.513 | 76% | 0.76 | S | S | . | * | | | trans | -70.2 | 112.5 | -177.1 | 25.7 | -32.8 | 0 | 0 | 0 | 112.4 | F19 L23 | F19-P21 HydrophobicContact CE1-CB 3.79Å; F19-P21 HydrophobicContact CE1-CG 4.25Å; F19-P21 HydrophobicContact CZ-CB 4.21Å; F19-P21 WeakPolarHBondContact O-CD 3.35Å; P21-L23 PolarHBondContact O-N 3.23Å |
| 22 | K | 74.9 | Confident | 68.7 | Low | 198 Ų | 198 | 151.2 Ų | 151.2 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -79.5 | 84.7 | 175.7 | -75.7 | 176.6 | 177.8 | 165.7 | 0 | 111.9 | I20 R24 | I20-K22 PolarHBondContact O-N 2.79Å; K22-R24 PolarHBondContact O-N 3.36Å |
| 23 | L | 69.6 | Low | 67.9 | Low | 153 Ų | 153 | 147.4 Ų | 147.4 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | | | trans | -54.3 | 124.9 | 165.8 | -81.5 | 166.5 | 0 | 0 | 0 | 110.5 | P21 | P21-L23 PolarHBondContact O-N 3.23Š|
| 24 | R | 71.5 | Confident | 67.2 | Low | 223 Ų | 223 | 155 Ų | 155 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | | | trans | -127.4 | 71 | -173.7 | -161.1 | 177.6 | -167 | 174.2 | 5.4 | 111.7 | K22 R26 | K22-R24 PolarHBondContact O-N 3.36Å; R24-R26 PolarHBondContact O-N 3.11Å |
| 25 | I | 75.4 | Confident | 66.3 | Low | 145 Ų | 145 | 157.7 Ų | 157.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | -60.3 | 120.6 | 178.3 | -56.5 | 175 | 0 | 0 | 0 | 109.6 | L27 | I25-L27 HydrophobicContact CG2-CD2 4.14Å; I25-L27 HydrophobicContact CG2-CG 4.35Å |
| 26 | R | 71.2 | Confident | 65.2 | Low | 225 Ų | 225 | 150 Ų | 150 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | | | trans | -102.3 | 90.5 | 173.4 | -90.2 | 178.9 | 156.4 | 159.2 | -7.9 | 109.6 | R24 R28 | R24-R26 PolarHBondContact O-N 3.11Å; R26-R28 PolarHBondContact O-N 3.03Å |
| 27 | L | 65.7 | Low | 63.7 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.6 | 164.8 | -60.1 | 178.4 | 0 | 0 | 0 | 108.6 | I25 | I25-L27 HydrophobicContact CG2-CD2 4.14Å; I25-L27 HydrophobicContact CG2-CG 4.35Å |
| 28 | R | 67.2 | Low | 62.3 | Low | 243 Ų | 243 | 153.5 Ų | 153.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 129.4 | 166.4 | -67.6 | -172.7 | 179.4 | -159.9 | 1.4 | 107.6 | R26 | R26-R28 PolarHBondContact O-N 3.03Š|
| 29 | H | 61.9 | Low | 60.9 | Low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 135.8 | 168.2 | -62.6 | -75.2 | 0 | 0 | 0 | 109.3 | | |
| 30 | S | 54.4 | Low | 59.6 | Low | 112 Ų | 112 | 157.9 Ų | 157.9 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 140 | 170.7 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | S32 | S30-S32 PolarHBondContact O-N 2.9Š|
| 31 | P | 61.7 | Low | 58 | Low | 124 Ų | 124 | 154 Ų | 154 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.6 | 174.5 | 27.9 | -33.7 | 0 | 0 | 0 | 109.7 | S33 | P31-S33 PolarHBondContact O-N 3.03Š|
| 32 | S | 53.6 | Low | 56.6 | Low | 104 Ų | 104 | 160.4 Ų | 160.4 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | | | trans | -71 | 112.1 | 176.1 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | S30 R34 | S30-S32 PolarHBondContact O-N 2.9Å; S32-R34 PolarHBondContact O-N 2.92Å |
| 33 | S | 50.1 | Low | 54.9 | Low | 121 Ų | 121 | 158.1 Ų | 158.1 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | -65.7 | 98.2 | 169.2 | 45.2 | 0 | 0 | 0 | 0 | 110.1 | P31 C35 | P31-S33 PolarHBondContact O-N 3.03Å; S33-C35 PolarHBondContact O-N 3.43Å |
| 34 | R | 47 | Very low | 53.6 | Low | 237 Ų | 237 | 156.9 Ų | 156.9 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | | | trans | -75.6 | 105.4 | 164.5 | -74.4 | -174.4 | 175.3 | -160.9 | -0.5 | 108.8 | S32 | S32-R34 PolarHBondContact O-N 2.92Š|
| 35 | C | 45.5 | Very low | 52 | Low | 135 Ų | 135 | 152.3 Ų | 152.3 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | | | trans | -122.4 | 145.2 | 153.5 | -101 | 0 | 0 | 0 | 0 | 107.9 | S33 | S33-C35 PolarHBondContact O-N 3.43Š|
| 36 | G | 45.7 | Very low | 50.2 | Low | 79 Ų | 79 | 153.6 Ų | 153.6 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | -153 | 166.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 37 | G | 46.2 | Very low | 48.7 | Very low | 75 Ų | 75 | 149.1 Ų | 149.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | 97.2 | 148.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 38 | R | 45.9 | Very low | 47.5 | Very low | 240 Ų | 240 | 149.6 Ų | 149.6 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | cis | -161.4 | 165 | -12.5 | -130.6 | -176.8 | -166.1 | -169.4 | 4.8 | 108.1 | | |
| 39 | D | 45.9 | Very low | 46.1 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -78.8 | 131.1 | -167.4 | -45.5 | -93.8 | 0 | 0 | 0 | 114.5 | | |
| 40 | Q | 46 | Very low | 45.3 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | 176.8 | 148.7 | 151.2 | -98.7 | 160.8 | 53.4 | 0 | 0 | 106.6 | | |
| 41 | G | 43.7 | Very low | 44.4 | Very low | 59 Ų | 59 | 141.4 Ų | 141.4 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | | | cis | 151.9 | 153 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 42 | Y | 45.1 | Very low | 43.4 | Very low | 215 Ų | 215 | 142.2 Ų | 142.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | 71.1 | 81.5 | 166.8 | -47.9 | -73.2 | 0 | 0 | 0 | 119.1 | | |
| 43 | N | 39 | Very low | 42.8 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | | 18.9 | 136 | 120.4 | -81.3 | -1.7 | 0 | 0 | 0 | 121.6 | | |
| 44 | V | 42.2 | Very low | 42.3 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | 72.2 | 142.9 | 132.6 | 177.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 45 | T | 38.2 | Very low | 42 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | cis | -138.1 | 173.8 | 23.9 | -22.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 46 | H | 37.6 | Very low | 42 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | trans | -69 | 153.7 | 156.2 | -79 | -118.8 | 0 | 0 | 0 | 111.6 | | |
| 47 | N | 39.9 | Very low | 41.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | | -170.6 | 158.3 | 115.8 | -101.6 | 18.5 | 0 | 0 | 0 | 114.2 | | |
| 48 | E | 40.1 | Very low | 41.7 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 57.4 | 100.5 | 149.9 | -71.3 | 157.3 | -116.8 | 0 | 0 | 121.5 | | |
| 49 | S | 37.9 | Very low | 41.8 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | trans | -78.4 | 166.9 | 135.7 | -155.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 50 | P | 46.1 | Very low | 41.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | cis | -143 | -154.4 | 18.7 | 31.1 | -3.7 | 0 | 0 | 0 | 114.9 | | |
| 51 | H | 36 | Very low | 41.2 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 73% | 0.731 | 73% | 0.732 | S | S | * | * | | | trans | 102.4 | 117.8 | 147.9 | -81.8 | -52 | 0 | 0 | 0 | 122.2 | | |
| 52 | L | 39.7 | Very low | 41.1 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | | 104.6 | 125.1 | 125.3 | -75 | 167.5 | 0 | 0 | 0 | 122.4 | | |
| 53 | I | 40.9 | Very low | 40.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | 85.3 | 117.5 | 140.8 | -65.8 | 161.1 | 0 | 0 | 0 | 120.2 | | |
| 54 | G | 39.7 | Very low | 40.9 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | 104.4 | 143.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 55 | N | 41.6 | Very low | 40.6 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | cis | -167.2 | 165.8 | -21.8 | -129.9 | 19 | 0 | 0 | 0 | 109.2 | | |
| 56 | F | 45.3 | Very low | 40.6 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | | | trans | 66.6 | 149.7 | 178.1 | -44.5 | -78.7 | 0 | 0 | 0 | 115.7 | | |
| 57 | G | 40.8 | Very low | 40.5 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | | | cis | 174.9 | 135.5 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 58 | D | 44.5 | Very low | 40.3 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | trans | 72.9 | 110.2 | 138 | -59.5 | 3.5 | 0 | 0 | 0 | 123.2 | | |
| 59 | H | 46.9 | Very low | 40.1 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | | | trans | 87.4 | 113 | 130.2 | -71.8 | -60.1 | 0 | 0 | 0 | 124.3 | | |
| 60 | D | 39.5 | Very low | 40.1 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | 62.5 | 125 | 129 | -48.8 | -6 | 0 | 0 | 0 | 120.8 | | |
| 61 | S | 41 | Very low | 39.5 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | | | cis | 108.6 | 102.1 | 12.8 | 81.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 62 | F | 41.4 | Very low | 39.5 | Very low | 214 Ų | 214 | 132.1 Ų | 132.1 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | | | trans | -154.4 | 107.1 | 152.8 | -70.6 | -71.3 | 0 | 0 | 0 | 105.8 | | |
| 63 | H | 36.1 | Very low | 39.3 | Very low | 153 Ų | 153 | 132 Ų | 132 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | | | cis | 86 | 87 | 29.5 | -144.4 | -57.3 | 0 | 0 | 0 | 114.7 | | |
| 64 | T | 43 | Very low | 38.8 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 91% | 0.914 | 75% | 0.749 | S | S | * | * | | | trans | -125.7 | 122.1 | 158 | 50.9 | 0 | 0 | 0 | 0 | 108 | | |
| 65 | N | 35.8 | Very low | 38.7 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 54% | 0.54 | 76% | 0.759 | S | S | . | * | | | trans | -138.3 | -169.7 | -178.1 | -170.4 | 27.4 | 0 | 0 | 0 | 109.1 | E67 | N65-E67 PolarHBondContact ND2-OE2 3Š|
| 66 | I | 38.9 | Very low | 38.1 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 84.1 | 98.3 | -177.2 | -50.8 | 160.6 | 0 | 0 | 0 | 109.4 | | |
| 67 | E | 35.9 | Very low | 37.5 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | cis | 72.5 | 154.7 | 39.8 | -54.9 | -166.8 | 101.2 | 0 | 0 | 115.9 | N65 | N65-E67 PolarHBondContact ND2-OE2 3Š|
| 68 | S | 34.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | 73.8 | 98.7 | 175.6 | -156.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 69 | L | 36.2 | Very low | 36.5 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | | | | -144.8 | 119.9 | 89.2 | -151.9 | 78.7 | 0 | 0 | 0 | 111 | | |
| 70 | V | 37.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -127.7 | 119.3 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | V72 | V70-V72 HydrophobicContact CG1-CG2 3.97Š|
| 71 | G | 34.2 | Very low | 35.6 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -137.4 | 95.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 72 | V | 35.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 139 Ų | 139 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | | | | 57.4 | 96 | 64.5 | -165 | 0 | 0 | 0 | 0 | 112.2 | V70 | V70-V72 HydrophobicContact CG1-CG2 3.97Š|
| 73 | C | 35.5 | Very low | 34.8 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | | | trans | -143.6 | 112.1 | 146.6 | -110.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 74 | S | 31.7 | Very low | 34.7 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -107.5 | 140 | -166.3 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 75 | F | 35.5 | Very low | 34.5 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | 19.5 | 156.2 | 140 | -94.2 | -89.9 | 0 | 0 | 0 | 123 | | |
| 76 | S | 30.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | 84.4 | 147.7 | 172.1 | 81.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 77 | M | 31.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 132 Ų | 132 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | cis | -138.9 | 137 | 27 | -76 | -81.1 | -160.5 | 0 | 0 | 114.6 | | |
| 78 | L | 31.8 | Very low | 35.6 | Very low | 129 Ų | 129 | 128.9 Ų | 128.9 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | trans | 57.3 | 169 | 133.5 | -54.2 | 176.9 | 0 | 0 | 0 | 119.1 | | |
| 79 | R | 33.3 | Very low | 35.9 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | cis | -148.8 | 141.2 | -6.7 | -139.7 | 163.8 | -167.3 | 160.3 | 2.1 | 109.7 | | |
| 80 | N | 34.8 | Very low | 36.1 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 74% | 0.736 | S | S | * | * | | | trans | -86.7 | 120.8 | 160.2 | -86.9 | -38.8 | 0 | 0 | 0 | 109.6 | | |
| 81 | T | 33.2 | Very low | 36.4 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | | | trans | -146.3 | 123.2 | 166.1 | 46.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 82 | A | 31.5 | Very low | 36.6 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -100.4 | 143 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 83 | Q | 33.7 | Very low | 36.7 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | | | trans | -148.9 | 123.9 | 149.1 | -77.5 | -143.6 | 52 | 0 | 0 | 107.5 | | |
| 84 | K | 34.5 | Very low | 36.7 | Very low | 187 Ų | 187 | 132 Ų | 132 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | | | | 89.6 | 103.2 | 71.7 | -161.5 | -178.4 | -172.2 | -178.2 | 0 | 110.4 | | |
| 85 | G | 37.2 | Very low | 36.9 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | -92.7 | -167.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 86 | P | 40.7 | Very low | 37 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 90% | 0.896 | 72% | 0.72 | S | S | * | * | | | trans | -134.5 | 171.4 | 136.9 | 38.7 | -28.4 | 0 | 0 | 0 | 114.1 | | |
| 87 | H | 41.2 | Very low | 37.4 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 29% | 0.287 | 73% | 0.727 | S | S | . | * | | | trans | -134.3 | 162 | 174.8 | -152.7 | -72 | 0 | 0 | 0 | 108.4 | N89 P1189 | H87-N89 PolarHBondContact CE1-N 3.42Å; H87-P1189 HydrophobicContact CB-CB 4.24Å |
| 88 | P | 51.5 | Low | 37.9 | Very low | 92 Ų | 92 | 136 Ų | 136 | 60% | 0.597 | 73% | 0.732 | S | S | * | * | | | | -151.2 | 142.4 | 128.1 | 35.2 | -17.7 | 0 | 0 | 0 | 116.4 | | |
| 89 | N | 43 | Very low | 38.3 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | 66.9 | 151.7 | 131.5 | -63.2 | -4.6 | 0 | 0 | 0 | 121.5 | H87 | H87-N89 PolarHBondContact CE1-N 3.42Š|
| 90 | S | 39.6 | Very low | 38.7 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | | | cis | -178.7 | 159.3 | -10.6 | 51.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 91 | I | 44.5 | Very low | 38.8 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 70.4 | 141.6 | 139.8 | -74.6 | 161.3 | 0 | 0 | 0 | 118.7 | | |
| 92 | T | 37.4 | Very low | 39.4 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | | | cis | -169 | 176 | -17.8 | 39.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 93 | K | 37.7 | Very low | 39.6 | Very low | 180 Ų | 180 | 144 Ų | 144 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | 78.2 | 149.5 | 143.7 | -81.8 | 159.1 | -165.1 | 173.4 | 0 | 118 | | |
| 94 | L | 35.5 | Very low | 40.1 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | cis | -162.4 | 160.2 | -15 | -163.6 | 69.4 | 0 | 0 | 0 | 112.3 | | |
| 95 | S | 35.3 | Very low | 40.4 | Very low | 88 Ų | 88 | 139.7 Ų | 139.7 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | 65.8 | 104.8 | 143.8 | 48.2 | 0 | 0 | 0 | 0 | 124.7 | | |
| 96 | K | 38.4 | Very low | 41 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | | | | 63.9 | 139.5 | 109.6 | -69.8 | 179 | 177.6 | 178.3 | 0 | 123.4 | | |
| 97 | S | 38.8 | Very low | 41 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | | | trans | 100.8 | 151.3 | 152.6 | 90.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 98 | R | 42.7 | Very low | 40.8 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | cis | -148.7 | 117 | 3.9 | -154.4 | 173.8 | -175 | -171 | 3.5 | 113.5 | | |
| 99 | Q | 39.2 | Very low | 40.5 | Very low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 8.5 | 123.4 | 140.5 | -179.7 | -170.9 | 15.7 | 0 | 0 | 119.5 | | |
| 100 | R | 42.1 | Very low | 40.5 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | | -155.8 | 150 | 127.3 | -115.7 | 177.2 | -177.4 | -165.2 | -0.9 | 112.3 | | |
| 101 | Q | 37.5 | Very low | 40.8 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | -115.6 | 160.9 | 176.9 | -67.9 | 176.9 | -25.4 | 0 | 0 | 110 | | |
| 102 | L | 45.5 | Very low | 41 | Very low | 169 Ų | 169 | 152.5 Ų | 152.5 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | 176.8 | 113.6 | 136.5 | -91.3 | 162.1 | 0 | 0 | 0 | 105.4 | | |
| 103 | S | 35.8 | Very low | 41.3 | Very low | 113 Ų | 113 | 159 Ų | 159 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | | | | 86.7 | 120.6 | 65.1 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 104 | G | 44.1 | Very low | 41.4 | Very low | 74 Ų | 74 | 155.3 Ų | 155.3 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | | | trans | 160.8 | 100.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 105 | F | 40.9 | Very low | 42 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | | | trans | -97.2 | 149.2 | -176.5 | -84.7 | -100.9 | 0 | 0 | 0 | 113.1 | | |
| 106 | T | 49.9 | Very low | 43 | Very low | 143 Ų | 143 | 155.4 Ų | 155.4 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | | | trans | -162.3 | 128 | 130.5 | 4.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 107 | P | 39.9 | Very low | 43.4 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | | | trans | -98.8 | 143.7 | -176.5 | 36.2 | -32.7 | 0 | 0 | 0 | 113.1 | | |
| 108 | G | 37 | Very low | 44.3 | Very low | 75 Ų | 75 | 161.9 Ų | 161.9 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | | | trans | -174.9 | 36.4 | -176 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 109 | C | 45.9 | Very low | 44.5 | Very low | 122 Ų | 122 | 160.5 Ų | 160.5 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | | | trans | -163.5 | 132.1 | 157.5 | -105.9 | 0 | 0 | 0 | 0 | 113.5 | I111 | C109-I111 PolarHBondContact O-N 2.98Š|
| 110 | T | 43.8 | Very low | 45.2 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | | | trans | -87.3 | 81.1 | -179.4 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | R112 | T110-R112 PolarHBondContact O-N 3.33Š|
| 111 | I | 44.9 | Very low | 45.7 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | | | trans | -68.2 | 111.2 | 172.8 | -58.2 | 175.9 | 0 | 0 | 0 | 109.5 | C109 | C109-I111 PolarHBondContact O-N 2.98Š|
| 112 | R | 48.5 | Very low | 46.4 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 84% | 0.836 | S | S | * | * | | | trans | -71.2 | 128.9 | 168.7 | -75.1 | -174.1 | 171.9 | -169.7 | -3.2 | 109.5 | T110 | T110-R112 PolarHBondContact O-N 3.33Š|
| 113 | R | 43.5 | Very low | 46.7 | Very low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -68.1 | 137.3 | -177.1 | -56.1 | 175.1 | -165.5 | 150.6 | 4.3 | 110.9 | T115 | R113-T115 HydrophobicContact CB-CG2 4.37Š|
| 114 | A | 41.3 | Very low | 47.6 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -115.6 | 102.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 115 | T | 48 | Very low | 48.3 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | -134.3 | 78.8 | -172.1 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | R113 | R113-T115 HydrophobicContact CB-CG2 4.37Š|
| 116 | S | 55.8 | Low | 49.3 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | -167 | 108.6 | 150.8 | -88.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 117 | K | 47.1 | Very low | 50 | Low | 224 Ų | 224 | 146.5 Ų | 146.5 | 97% | 0.974 | 79% | 0.794 | S | S | * | * | | | trans | -93.8 | 108.6 | 157.5 | -73.6 | -171.2 | 176.2 | -173.9 | 0 | 107.3 | | |
| 118 | R | 56.8 | Low | 51.6 | Low | 234 Ų | 234 | 144.6 Ų | 144.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -132.6 | 135.1 | 170.2 | -167.2 | 170.6 | -175.6 | 165.6 | 1.5 | 108.9 | Q120 | R118-Q120 PolarHBondContact O-N 3.33Š|
| 119 | K | 46.4 | Very low | 53.6 | Low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -49 | 124.1 | -174.7 | -72.1 | -179.6 | 171.1 | -175.7 | 0 | 111.9 | | |
| 120 | Q | 53.7 | Low | 55.3 | Low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | -124.7 | 110.2 | 154.9 | -77.6 | -174.4 | -27 | 0 | 0 | 107.1 | R118 | R118-Q120 PolarHBondContact O-N 3.33Š|
| 121 | S | 54 | Low | 57.1 | Low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | | | trans | -137.9 | 26.7 | 180 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 122 | S | 51.9 | Low | 59.1 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -140.3 | 12.7 | -168.9 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 123 | A | 51.5 | Low | 60.8 | Low | 45 Ų | 45 | 128.6 Ų | 128.6 | 37% | 0.372 | 68% | 0.678 | S | S | . | * | | | trans | -121.8 | 12.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T127 | A123-T127 PolarHBondContact O-OG1 2.93Š|
| 124 | F | 54.1 | Low | 62.9 | Low | 166 Ų | 166 | 123.8 Ų | 123.8 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -74.7 | -29.6 | -168.7 | -154.6 | -94.1 | 0 | 0 | 0 | 113.2 | | |
| 125 | V | 60.7 | Low | 65.1 | Low | 113 Ų | 113 | 119.4 Ų | 119.4 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -72.4 | -46 | -179.1 | -175 | 0 | 0 | 0 | 0 | 111.3 | T127 L128 | V125-T127 PolarHBondContact O-N 2.91Å; V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.21Å; V125-L128 VanDerWaalsContact O-N 3.13Å |
| 126 | D | 60 | Low | 67 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -66.3 | -5.1 | 179.3 | -56.9 | -34.6 | 0 | 0 | 0 | 114 | | |
| 127 | T | 65.7 | Low | 68.3 | Low | 108 Ų | 108 | 114.4 Ų | 114.4 | 66% | 0.663 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -106 | 10.2 | 179 | -36.5 | 0 | 0 | 0 | 0 | 112.6 | A123 V125 D129 | A123-T127 PolarHBondContact O-OG1 2.93Å; V125-T127 PolarHBondContact O-N 2.91Å; T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.05Å |
| 128 | L | 74 | Confident | 70.2 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 43% | 0.429 | 56% | 0.555 | S | S | . | * | | | trans | -74.2 | 84.4 | 172.6 | -69.2 | 178.5 | 0 | 0 | 0 | 110.9 | V125 L130 L136 | V125-L128 WeakPolarHBondContact O-CG 3.37Å; V125-L128 PolarHBondContact O-N 3.21Å; V125-L128 VanDerWaalsContact O-N 3.13Å; L128-L130 PolarHBondContact O-N 2.74Å; L128-L136 HydrophobicContact CD2-CD1 4.13Å |
| 129 | D | 78.8 | Confident | 71.7 | Confident | 69 Ų | 69 | 101 Ų | 101 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | | | trans | -59.9 | 113.2 | 177.5 | -169.4 | -33 | 0 | 0 | 0 | 111.4 | T127 E131 N132 S135 | T127-D129 VanDerWaalsContact C-N 3.32Å; T127-D129 PolarHBondContact O-N 3.05Å; D129-E131 PolarHBondContact OD1-N 2.94Å; D129-N132 PolarHBondContact OD1-N 3.25Å; D129-N132 PolarHBondContact OD2-ND2 3.02Å; D129-S135 WeakPolarHBondContact O-CB 3.32Å; D129-S135 PolarHBondContact O-OG 3.05Å |
| 130 | L | 81.4 | Confident | 73.6 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -89.1 | -16.8 | 179.3 | -52.6 | -177.6 | 0 | 0 | 0 | 112.8 | L128 L137 Q230 | L128-L130 PolarHBondContact O-N 2.74Å; L130-L137 HydrophobicContact CD2-CD1 3.43Å; L130-L137 VanDerWaalsContact CD2-CD1 3.43Å; L130-Q230 PolarHBondContact O-NE2 3.09Å |
| 131 | E | 81.5 | Confident | 75.2 | Confident | 101 Ų | 101 | 90.4 Ų | 90.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -99.4 | -24.9 | -168.7 | -63.1 | -167.7 | 160.2 | 0 | 0 | 113.7 | D129 T236 P237 | D129-E131 PolarHBondContact OD1-N 2.94Å; E131-T236 PolarHBondContact O-OG1 3.5Å; E131-P237 VanDerWaalsContact CD-CG 3.43Å; E131-P237 WeakPolarHBondContact OE1-CG 3.49Å; E131-P237 WeakPolarHBondContact OE2-CD 3.12Å; E131-P237 VanDerWaalsContact OE2-CG 3.25Å; E131-P237 WeakPolarHBondContact OE2-CG 3.46Å |
| 132 | N | 86 | Confident | 76.8 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -82.9 | 141 | 179.8 | -90 | -46.2 | 0 | 0 | 0 | 113.2 | D129 D134 S135 | D129-N132 PolarHBondContact OD1-N 3.25Å; D129-N132 PolarHBondContact OD2-ND2 3.02Å; N132-D134 PolarHBondContact O-N 2.8Å; N132-S135 VanDerWaalsContact O-CB 3.24Å; N132-S135 WeakPolarHBondContact O-CB 3.28Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 VanDerWaalsContact O-N 3.17Å |
| 133 | P | 84.6 | Confident | 78.5 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 29% | 0.292 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -19.8 | 176.5 | 29.2 | -36.3 | 0 | 0 | 0 | 113.2 | S135 T138 Q230 | P133-S135 VanDerWaalsContact C-N 3.28Å; P133-S135 PolarHBondContact O-N 3.18Å; P133-T138 WeakPolarHBondContact O-CG2 3.37Å; P133-T138 PolarHBondContact O-OG1 3.39Å; P133-Q230 WeakPolarHBondContact CB-O 3.39Å |
| 134 | D | 87.1 | Confident | 80.2 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 69% | 0.69 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1 | 177.2 | -70.9 | -58 | 0 | 0 | 0 | 113.9 | N132 K139 | N132-D134 PolarHBondContact O-N 2.8Å; D134-K139 PolarHBondContact O-NZ 2.94Å |
| 135 | S | 87.8 | Confident | 81.9 | Confident | 10 Ų | 10 | 84.9 Ų | 84.9 | 7% | 0.07 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -46.3 | 153.7 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 113.4 | D129 N132 P133 L137 T138 | D129-S135 WeakPolarHBondContact O-CB 3.32Å; D129-S135 PolarHBondContact O-OG 3.05Å; N132-S135 VanDerWaalsContact O-CB 3.24Å; N132-S135 WeakPolarHBondContact O-CB 3.28Å; N132-S135 PolarHBondContact O-N 2.91Å; N132-S135 VanDerWaalsContact O-N 3.17Å; P133-S135 VanDerWaalsContact C-N 3.28Å; P133-S135 PolarHBondContact O-N 3.18Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-L137 PolarHBondContact OG-N 2.97Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.31Å |
| 136 | L | 87.5 | Confident | 83.1 | Confident | 97 Ų | 97 | 81.1 Ų | 81.1 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -62.4 | -28.6 | 168.6 | -69.3 | 169.9 | 0 | 0 | 0 | 111.3 | L128 T138 K139 V140 | L128-L136 HydrophobicContact CD2-CD1 4.13Å; L136-T138 VanDerWaalsContact C-N 3.29Å; L136-T138 PolarHBondContact O-N 3.4Å; L136-K139 PolarHBondContact O-N 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.21Å |
| 137 | L | 84.9 | Confident | 84.6 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -71.2 | -17.3 | 179.8 | -57.5 | -176.4 | 0 | 0 | 0 | 114.3 | L130 S135 K139 L142 F226 S227 | L130-L137 HydrophobicContact CD2-CD1 3.43Å; L130-L137 VanDerWaalsContact CD2-CD1 3.43Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-L137 PolarHBondContact OG-N 2.97Å; L137-K139 PolarHBondContact O-N 3.36Å; L137-L142 HydrophobicContact CD2-CD2 4.28Å; L137-F226 HydrophobicContact CB-CE1 4.38Å; L137-S227 PolarHBondContact O-OG 3.12Å |
| 138 | T | 85.6 | Confident | 85.8 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 20% | 0.202 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -77.3 | -9.8 | 169.7 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | P133 S135 L136 Q230 | P133-T138 WeakPolarHBondContact O-CG2 3.37Å; P133-T138 PolarHBondContact O-OG1 3.39Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.31Å; L136-T138 VanDerWaalsContact C-N 3.29Å; L136-T138 PolarHBondContact O-N 3.4Å; T138-Q230 HydrophobicContact CG2-CB 3.78Å; T138-Q230 HydrophobicContact CG2-CG 3.62Å |
| 139 | K | 87.9 | Confident | 86.6 | Confident | 142 Ų | 142 | 81.6 Ų | 81.6 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.2 | -18.8 | -175.8 | -65.2 | 157.4 | -171.6 | 145 | 0 | 113.4 | D134 L136 L137 | D134-K139 PolarHBondContact O-NZ 2.94Å; L136-K139 PolarHBondContact O-N 3.25Å; L137-K139 PolarHBondContact O-N 3.36Å |
| 140 | V | 87.3 | Confident | 87.3 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.6 | 127.6 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 109.2 | L136 L142 L145 | L136-V140 WeakPolarHBondContact O-CG2 3.44Å; L136-V140 PolarHBondContact O-N 3.21Å; V140-L142 PolarHBondContact O-N 2.82Å; V140-L145 HydrophobicContact CG1-CB 4.36Å; V140-L145 HydrophobicContact CG1-CD2 4.26Å |
| 141 | N | 87.4 | Confident | 87.9 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | | | trans | -70.5 | 99.4 | 169.2 | -177.1 | -8.5 | 0 | 0 | 0 | 109.2 | K143 L144 L145 | N141-K143 PolarHBondContact O-N 3.15Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.32Å; N141-K143 PolarHBondContact OD1-N 3.32Å; N141-K143 VanDerWaalsContact OD1-N 3.11Å; N141-L144 HydrophobicContact CB-CD1 4.12Å; N141-L144 HydrophobicContact CB-CG 4.2Å; N141-L144 PolarHBondContact O-N 3.32Å; N141-L145 PolarHBondContact O-N 3.35Å |
| 142 | L | 87.8 | Confident | 88.5 | Confident | 18 Ų | 18 | 74.6 Ų | 74.6 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59 | -24.5 | -177.1 | -61.9 | 177.7 | 0 | 0 | 0 | 113.1 | L137 V140 L144 L145 I146 L223 F226 | L137-L142 HydrophobicContact CD2-CD2 4.28Å; V140-L142 PolarHBondContact O-N 2.82Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 PolarHBondContact O-N 3.03Å; L142-I146 PolarHBondContact O-N 2.99Å; L142-L223 HydrophobicContact CB-CB 4.15Å; L142-L223 HydrophobicContact CB-CD1 4.19Å; L142-L223 HydrophobicContact CB-CD2 4.06Å; L142-L223 HydrophobicContact CB-CG 4.37Å; L142-L223 HydrophobicContact CD1-CD2 4.27Å; L142-F226 HydrophobicContact CD1-CB 4.29Å; L142-F226 HydrophobicContact CD1-CD1 3.55Å; L142-F226 HydrophobicContact CD1-CE1 4.21Å; L142-F226 HydrophobicContact CD1-CG 4.11Å |
| 143 | K | 86.7 | Confident | 88.9 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.4 | -32.5 | 174.5 | -173.7 | 174.3 | -178.9 | 166.2 | 0 | 112.7 | N141 T220 L223 | N141-K143 PolarHBondContact O-N 3.15Å; N141-K143 VanDerWaalsContact O-N 3.11Å; N141-K143 WeakPolarHBondContact OD1-CB 3.32Å; N141-K143 PolarHBondContact OD1-N 3.32Å; N141-K143 VanDerWaalsContact OD1-N 3.11Å; K143-T220 HydrophobicContact CD-CG2 3.93Å; K143-T220 WeakPolarHBondContact CE-OG1 3.34Å; K143-T220 PolarHBondContact NZ-OG1 3.27Å; K143-L223 HydrophobicContact CB-CD1 4.41Å |
| 144 | L | 86.9 | Confident | 89.3 | Confident | 138 Ų | 138 | 75.8 Ų | 75.8 | 72% | 0.723 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -77.1 | -25.3 | 173.8 | -62.7 | 178.9 | 0 | 0 | 0 | 111.9 | N141 L142 | N141-L144 HydrophobicContact CB-CD1 4.12Å; N141-L144 HydrophobicContact CB-CG 4.2Å; N141-L144 PolarHBondContact O-N 3.32Å; L142-L144 VanDerWaalsContact C-N 3.34Å |
| 145 | L | 89.6 | Confident | 89.8 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -81.9 | -31 | 178.3 | -171.8 | 64.3 | 0 | 0 | 0 | 112.9 | V140 N141 L142 T150 | V140-L145 HydrophobicContact CG1-CB 4.36Å; V140-L145 HydrophobicContact CG1-CD2 4.26Å; N141-L145 PolarHBondContact O-N 3.35Å; L142-L145 HydrophobicContact CD2-CD2 4.35Å; L142-L145 PolarHBondContact O-N 3.03Å; L145-T150 WeakPolarHBondContact O-CB 3.08Å; L145-T150 PolarHBondContact O-OG1 3.12Å |
| 146 | I | 87.3 | Confident | 90.1 | Very high | 34 Ų | 34 | 76.2 Ų | 76.2 | 17% | 0.174 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -108.1 | 75.7 | 179.1 | -49.8 | 175.4 | 0 | 0 | 0 | 109.3 | L142 T150 L214 F219 L223 | L142-I146 PolarHBondContact O-N 2.99Å; I146-T150 WeakPolarHBondContact CA-OG1 3.47Å; I146-L214 HydrophobicContact CG2-CD2 4.29Å; I146-F219 HydrophobicContact CD1-CZ 4.32Å; I146-F219 HydrophobicContact CG2-CE1 4.28Å; I146-F219 HydrophobicContact CG2-CZ 4.09Å; I146-L223 HydrophobicContact CD1-CD1 4.31Å; I146-L223 HydrophobicContact CD1-CD2 4.09Å |
| 147 | N | 90.1 | Very high | 90.4 | Very high | 58 Ų | 58 | 77.2 Ų | 77.2 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | | | trans | -91.8 | -178.6 | 166.5 | 82.8 | 3.5 | 0 | 0 | 0 | 109.6 | E149 T150 F151 L214 | N147-E149 PolarHBondContact ND2-OE2 2.98Å; N147-E149 VanDerWaalsContact ND2-OE2 3.08Å; N147-E149 PolarHBondContact O-N 3.41Å; N147-E149 WeakPolarHBondContact OD1-CA 3.45Å; N147-E149 WeakPolarHBondContact OD1-CB 3.47Å; N147-E149 PolarHBondContact OD1-N 3.18Å; N147-T150 PolarHBondContact N-OG1 3.1Å; N147-T150 PolarHBondContact O-OG1 3.02Å; N147-T150 PolarHBondContact OD1-N 3.44Å; N147-T150 PolarHBondContact OD1-OG1 3.23Å; N147-F151 VanDerWaalsContact O-CB 3.32Å; N147-F151 WeakPolarHBondContact O-CB 3.45Å; N147-F151 PolarHBondContact O-N 3.31Å; N147-L214 VanDerWaalsContact C-CD1 3.49Å; N147-L214 WeakPolarHBondContact O-CD1 3.41Å |
| 148 | R | 91.3 | Very high | 90.8 | Very high | 144 Ų | 144 | 78 Ų | 78 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | -178.8 | -174.8 | 175.4 | 177.8 | -175.5 | -1.1 | 113.4 | H152 L214 | R148-H152 PolarHBondContact O-CD2 2.99Å; R148-H152 PolarHBondContact O-N 3.07Å; R148-H152 VanDerWaalsContact O-N 3.13Å; R148-L214 HydrophobicContact CB-CD1 4.34Å |
| 149 | E | 91.7 | Very high | 91.3 | Very high | 150 Ų | 150 | 77.3 Ų | 77.3 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.8 | -47.2 | -179.1 | -56.6 | 161.7 | 157.3 | 0 | 0 | 110.2 | N147 H152 S153 | N147-E149 PolarHBondContact ND2-OE2 2.98Å; N147-E149 VanDerWaalsContact ND2-OE2 3.08Å; N147-E149 PolarHBondContact O-N 3.41Å; N147-E149 WeakPolarHBondContact OD1-CA 3.45Å; N147-E149 WeakPolarHBondContact OD1-CB 3.47Å; N147-E149 PolarHBondContact OD1-N 3.18Å; E149-H152 PolarHBondContact O-N 3.37Å; E149-S153 PolarHBondContact O-N 2.65Å |
| 150 | T | 92.8 | Very high | 91.6 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 30% | 0.301 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 177.5 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | L145 I146 N147 H152 S153 L154 | L145-T150 WeakPolarHBondContact O-CB 3.08Å; L145-T150 PolarHBondContact O-OG1 3.12Å; I146-T150 WeakPolarHBondContact CA-OG1 3.47Å; N147-T150 PolarHBondContact N-OG1 3.1Å; N147-T150 PolarHBondContact O-OG1 3.02Å; N147-T150 PolarHBondContact OD1-N 3.44Å; N147-T150 PolarHBondContact OD1-OG1 3.23Å; T150-H152 PolarHBondContact O-N 3.3Å; T150-S153 WeakPolarHBondContact CA-OG 3.31Å; T150-S153 PolarHBondContact O-N 3.34Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.4Å; T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.37Å |
| 151 | F | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 77.6 Ų | 77.6 | 0% | 0.004 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -55.1 | -51.6 | 169.3 | 178 | -87.2 | 0 | 0 | 0 | 111.5 | N147 S153 L154 Q159 L162 V207 L209 L214 | N147-F151 VanDerWaalsContact O-CB 3.32Å; N147-F151 WeakPolarHBondContact O-CB 3.45Å; N147-F151 PolarHBondContact O-N 3.31Å; F151-S153 PolarHBondContact O-N 3.23Å; F151-L154 WeakPolarHBondContact O-CB 3.37Å; F151-L154 PolarHBondContact O-N 3.38Å; F151-L154 VanDerWaalsContact O-N 3.13Å; F151-Q159 HydrophobicContact CE1-CB 4.1Å; F151-Q159 HydrophobicContact CE1-CG 4.17Å; F151-Q159 HydrophobicContact CZ-CB 3.91Å; F151-Q159 HydrophobicContact CZ-CG 4.34Å; F151-Q159 WeakPolarHBondContact O-CG 3.47Å; F151-L162 HydrophobicContact CD2-CD1 4.18Å; F151-L162 HydrophobicContact CE2-CB 3.88Å; F151-L162 HydrophobicContact CE2-CD1 4.28Å; F151-V207 HydrophobicContact CE1-CG1 4.49Å; F151-V207 HydrophobicContact CZ-CG1 4.29Å; F151-L209 HydrophobicContact CD1-CD2 3.99Å; F151-L209 HydrophobicContact CD2-CD2 4.28Å; F151-L209 HydrophobicContact CE1-CB 4.37Å; F151-L209 HydrophobicContact CE1-CD2 3.89Å; F151-L209 HydrophobicContact CE2-CD2 4.17Å; F151-L209 HydrophobicContact CG-CD2 4.2Å; F151-L209 HydrophobicContact CZ-CD1 4.48Å; F151-L209 HydrophobicContact CZ-CD2 3.98Å; F151-L214 HydrophobicContact CB-CD1 3.91Å; F151-L214 HydrophobicContact CD2-CD2 4.25Å; F151-L214 HydrophobicContact CG-CD1 4.38Å |
| 152 | H | 94 | Very high | 92 | Very high | 79 Ų | 79 | 74.7 Ų | 74.7 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.8 | -15.9 | 177.7 | -67.6 | -50.7 | 0 | 0 | 0 | 113.7 | R148 E149 T150 Q159 | R148-H152 PolarHBondContact O-CD2 2.99Å; R148-H152 PolarHBondContact O-N 3.07Å; R148-H152 VanDerWaalsContact O-N 3.13Å; E149-H152 PolarHBondContact O-N 3.37Å; T150-H152 PolarHBondContact O-N 3.3Å; H152-Q159 PolarHBondContact O-NE2 2.89Å |
| 153 | S | 94.4 | Very high | 92.2 | Very high | 91 Ų | 91 | 74.3 Ų | 74.3 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -82.8 | -13.6 | 171.9 | 81.5 | 0 | 0 | 0 | 0 | 114.5 | E149 T150 F151 | E149-S153 PolarHBondContact O-N 2.65Å; T150-S153 WeakPolarHBondContact CA-OG 3.31Å; T150-S153 PolarHBondContact O-N 3.34Å; T150-S153 VanDerWaalsContact O-N 3.09Å; T150-S153 PolarHBondContact O-OG 3.4Å; F151-S153 PolarHBondContact O-N 3.23Å |
| 154 | L | 93.9 | Very high | 92.5 | Very high | 56 Ų | 56 | 77.7 Ų | 77.7 | 29% | 0.293 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -70 | 152.5 | 177.2 | -68.3 | 171.9 | 0 | 0 | 0 | 111.2 | T150 F151 V158 Q159 L162 | T150-L154 WeakPolarHBondContact O-CG 3.45Å; T150-L154 PolarHBondContact O-N 3.37Å; F151-L154 WeakPolarHBondContact O-CB 3.37Å; F151-L154 PolarHBondContact O-N 3.38Å; F151-L154 VanDerWaalsContact O-N 3.13Å; L154-V158 HydrophobicContact CB-CB 4.28Å; L154-V158 HydrophobicContact CB-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG1 4.02Å; L154-V158 HydrophobicContact CD2-CG1 4.47Å; L154-Q159 HydrophobicContact CB-CG 4.08Å; L154-Q159 PolarHBondContact O-NE2 3.33Å; L154-L162 HydrophobicContact CD1-CD1 3.46Å; L154-L162 VanDerWaalsContact CD1-CD1 3.46Å |
| 155 | P | 96.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | | | trans | -55.2 | 146.1 | 170.7 | -23.5 | 33.8 | 0 | 0 | 0 | 111.8 | D157 V158 Q159 | P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.23Å; P155-V158 HydrophobicContact CB-CG2 4.23Å; P155-V158 HydrophobicContact CG-CG2 4.36Å; P155-V158 WeakPolarHBondContact O-CA 3.47Å; P155-V158 WeakPolarHBondContact O-CB 3.5Å; P155-V158 PolarHBondContact O-N 3.06Å; P155-Q159 PolarHBondContact O-N 2.87Å |
| 156 | L | 94.6 | Very high | 92.8 | Very high | 62 Ų | 62 | 73.8 Ų | 73.8 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -54.2 | -42.2 | -172.3 | -177.8 | 57.9 | 0 | 0 | 0 | 113.2 | V158 Q159 Q160 N205 V207 | L156-V158 PolarHBondContact O-N 3.05Å; L156-Q159 WeakPolarHBondContact O-CB 3.4Å; L156-Q159 PolarHBondContact O-N 3.02Å; L156-Q159 VanDerWaalsContact O-N 3.17Å; L156-Q160 HydrophobicContact CD1-CG 4.44Å; L156-Q160 WeakPolarHBondContact O-CG 3.34Å; L156-Q160 PolarHBondContact O-N 3.47Å; L156-N205 WeakPolarHBondContact CD1-O 3.4Å; L156-N205 HydrophobicContact CD2-CB 4.34Å; L156-V207 HydrophobicContact CD1-CG2 3.68Å |
| 157 | D | 94.8 | Very high | 93 | Very high | 118 Ų | 118 | 74.6 Ų | 74.6 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.8 | -35 | 176.7 | -48.9 | -27.4 | 0 | 0 | 0 | 112.4 | P155 M161 | P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 3.23Å; D157-M161 VanDerWaalsContact O-CB 3.28Å; D157-M161 WeakPolarHBondContact O-CB 3.25Å; D157-M161 PolarHBondContact O-N 3.13Å |
| 158 | V | 93.1 | Very high | 93 | Very high | 55 Ų | 55 | 77 Ų | 77 | 33% | 0.333 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78.8 | -37.3 | 178.7 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | L154 P155 L156 M161 L162 | L154-V158 HydrophobicContact CB-CB 4.28Å; L154-V158 HydrophobicContact CB-CG1 4.36Å; L154-V158 HydrophobicContact CD1-CG1 4.02Å; L154-V158 HydrophobicContact CD2-CG1 4.47Å; P155-V158 HydrophobicContact CB-CG2 4.23Å; P155-V158 HydrophobicContact CG-CG2 4.36Å; P155-V158 WeakPolarHBondContact O-CA 3.47Å; P155-V158 WeakPolarHBondContact O-CB 3.5Å; P155-V158 PolarHBondContact O-N 3.06Å; L156-V158 PolarHBondContact O-N 3.05Å; V158-M161 PolarHBondContact O-N 2.83Å; V158-L162 HydrophobicContact CG1-CD1 4.27Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.39Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.41Å |
| 159 | Q | 94.9 | Very high | 93 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 170 | -63.8 | -172.7 | 33.3 | 0 | 0 | 110.3 | F151 H152 L154 P155 L156 M161 L162 C163 V207 | F151-Q159 HydrophobicContact CE1-CB 4.1Å; F151-Q159 HydrophobicContact CE1-CG 4.17Å; F151-Q159 HydrophobicContact CZ-CB 3.91Å; F151-Q159 HydrophobicContact CZ-CG 4.34Å; F151-Q159 WeakPolarHBondContact O-CG 3.47Å; H152-Q159 PolarHBondContact O-NE2 2.89Å; L154-Q159 HydrophobicContact CB-CG 4.08Å; L154-Q159 PolarHBondContact O-NE2 3.33Å; P155-Q159 PolarHBondContact O-N 2.87Å; L156-Q159 WeakPolarHBondContact O-CB 3.4Å; L156-Q159 PolarHBondContact O-N 3.02Å; L156-Q159 VanDerWaalsContact O-N 3.17Å; Q159-M161 PolarHBondContact O-N 3.14Å; Q159-L162 PolarHBondContact O-N 3.47Å; Q159-C163 WeakPolarHBondContact O-CB 3.29Å; Q159-C163 PolarHBondContact O-N 2.87Å; Q159-V207 HydrophobicContact CB-CB 4.16Å; Q159-V207 HydrophobicContact CB-CG2 3.91Å |
| 160 | Q | 94.6 | Very high | 93 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.1 | -69.6 | -179.6 | 11.6 | 0 | 0 | 112 | L156 C163 Q164 V207 | L156-Q160 HydrophobicContact CD1-CG 4.44Å; L156-Q160 WeakPolarHBondContact O-CG 3.34Å; L156-Q160 PolarHBondContact O-N 3.47Å; Q160-C163 WeakPolarHBondContact O-CB 3.39Å; Q160-C163 PolarHBondContact O-N 3.33Å; Q160-Q164 VanDerWaalsContact O-CG 3.3Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.94Å; Q160-V207 HydrophobicContact CG-CG2 3.59Å |
| 161 | M | 92.9 | Very high | 92.8 | Very high | 119 Ų | 119 | 70.9 Ų | 70.9 | 59% | 0.586 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.3 | -42.5 | 179.3 | -171 | -174.3 | -54.1 | 0 | 0 | 112.7 | D157 V158 Q159 L165 | D157-M161 VanDerWaalsContact O-CB 3.28Å; D157-M161 WeakPolarHBondContact O-CB 3.25Å; D157-M161 PolarHBondContact O-N 3.13Å; V158-M161 PolarHBondContact O-N 2.83Å; Q159-M161 PolarHBondContact O-N 3.14Å; M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.22Å |
| 162 | L | 91.2 | Very high | 92.4 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 174.5 | -74.2 | 173.5 | 0 | 0 | 0 | 111.6 | F151 L154 V158 Q159 Q164 L165 | F151-L162 HydrophobicContact CD2-CD1 4.18Å; F151-L162 HydrophobicContact CE2-CB 3.88Å; F151-L162 HydrophobicContact CE2-CD1 4.28Å; L154-L162 HydrophobicContact CD1-CD1 3.46Å; L154-L162 VanDerWaalsContact CD1-CD1 3.46Å; V158-L162 HydrophobicContact CG1-CD1 4.27Å; V158-L162 HydrophobicContact CG1-CG 4.48Å; V158-L162 WeakPolarHBondContact O-CB 3.39Å; V158-L162 WeakPolarHBondContact O-CG 3.49Å; V158-L162 PolarHBondContact O-N 3.41Å; Q159-L162 PolarHBondContact O-N 3.47Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.37Å; L162-L165 WeakPolarHBondContact O-CB 3.29Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-L165 VanDerWaalsContact O-N 3.09Å |
| 163 | C | 92.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 76.7 Ų | 76.7 | 7% | 0.068 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 178.8 | -156.4 | 0 | 0 | 0 | 0 | 112 | Q159 Q160 L165 L166 H171 V207 | Q159-C163 WeakPolarHBondContact O-CB 3.29Å; Q159-C163 PolarHBondContact O-N 2.87Å; Q160-C163 WeakPolarHBondContact O-CB 3.39Å; Q160-C163 PolarHBondContact O-N 3.33Å; C163-L165 PolarHBondContact O-N 3.13Å; C163-L166 PolarHBondContact O-N 3.38Å; C163-L166 VanDerWaalsContact O-N 3.16Å; C163-H171 PolarHBondContact O-ND1 3.16Å; C163-H171 WeakPolarHBondContact SG-CB 3.4Å; C163-V207 HydrophobicContact CB-CG1 3.77Å; C163-V207 VanDerWaalsContact SG-CG1 3.53Å |
| 164 | Q | 92.4 | Very high | 91.5 | Very high | 147 Ų | 147 | 79.8 Ų | 79.8 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.4 | 174.1 | -72 | 171.7 | 19.8 | 0 | 0 | 114.6 | Q160 L162 | Q160-Q164 VanDerWaalsContact O-CG 3.3Å; Q160-Q164 WeakPolarHBondContact O-CG 3.37Å; Q160-Q164 PolarHBondContact O-N 2.94Å; L162-Q164 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.37Å |
| 165 | L | 90.9 | Very high | 90.5 | Very high | 138 Ų | 138 | 81.2 Ų | 81.2 | 72% | 0.723 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.6 | 175.3 | -66.9 | 171.7 | 0 | 0 | 0 | 113.1 | M161 L162 C163 | M161-L165 WeakPolarHBondContact O-CG 3.39Å; M161-L165 PolarHBondContact O-N 3.22Å; L162-L165 WeakPolarHBondContact O-CB 3.29Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-L165 VanDerWaalsContact O-N 3.09Å; C163-L165 PolarHBondContact O-N 3.13Å |
| 166 | L | 91.4 | Very high | 88.9 | Confident | 13 Ų | 13 | 79.9 Ų | 79.9 | 7% | 0.068 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -94.7 | 155.3 | 178.3 | -63.9 | 166.7 | 0 | 0 | 0 | 110.9 | C163 D170 H171 L209 A213 F219 | C163-L166 PolarHBondContact O-N 3.38Å; C163-L166 VanDerWaalsContact O-N 3.16Å; L166-D170 HydrophobicContact CB-CB 4.11Å; L166-H171 PolarHBondContact O-CE1 3.31Å; L166-H171 VanDerWaalsContact O-CE1 3.31Å; L166-H171 PolarHBondContact O-ND1 2.89Å; L166-L209 HydrophobicContact CD1-CD1 3.69Å; L166-A213 HydrophobicContact CD1-CB 4.24Å; L166-F219 HydrophobicContact CD2-CB 3.77Å; L166-F219 HydrophobicContact CD2-CD2 3.6Å; L166-F219 HydrophobicContact CD2-CE2 4.39Å; L166-F219 HydrophobicContact CD2-CG 3.82Å |
| 167 | P | 91.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | | | trans | -52.2 | 148.8 | 173 | -26.9 | 35.3 | 0 | 0 | 0 | 113 | F169 D170 H171 | P167-F169 PolarHBondContact O-N 3.39Å; P167-F169 VanDerWaalsContact O-N 3.13Å; P167-D170 WeakPolarHBondContact CD-OD2 3.25Å; P167-D170 WeakPolarHBondContact O-CB 3.41Å; P167-D170 PolarHBondContact O-N 3.4Å; P167-H171 PolarHBondContact O-ND1 3.09Å |
| 168 | L | 90.7 | Very high | 86.3 | Confident | 108 Ų | 108 | 82.6 Ų | 82.6 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -51.6 | -41.3 | -178.7 | -59.9 | 176.5 | 0 | 0 | 0 | 112.9 | D170 H171 C172 | L168-D170 PolarHBondContact O-N 2.99Å; L168-H171 WeakPolarHBondContact CD2-NE2 3.3Å; L168-H171 PolarHBondContact O-N 2.82Å; L168-H171 VanDerWaalsContact O-N 3.09Å; L168-C172 WeakPolarHBondContact O-CB 3.32Å; L168-C172 PolarHBondContact O-N 3.21Å; L168-C172 PolarHBondContact O-SG 2.9Å; L168-C172 VanDerWaalsContact O-SG 3.39Å |
| 169 | F | 90.4 | Very high | 84.7 | Confident | 152 Ų | 152 | 87.2 Ų | 87.2 | 67% | 0.667 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.7 | -26.7 | 178 | -56.7 | -78.8 | 0 | 0 | 0 | 114.1 | P167 H171 M175 | P167-F169 PolarHBondContact O-N 3.39Å; P167-F169 VanDerWaalsContact O-N 3.13Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-M175 HydrophobicContact CD1-SD 3.4Å; F169-M175 WeakPolarHBondContact CD1-SD 3.4Å; F169-M175 HydrophobicContact CE1-SD 3.8Å; F169-M175 HydrophobicContact CG-SD 4.14Å |
| 170 | D | 92 | Very high | 83 | Confident | 11 Ų | 11 | 91.5 Ų | 91.5 | 6% | 0.059 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -81.5 | -12.4 | 179.3 | -79.8 | -41.1 | 0 | 0 | 0 | 113 | L166 P167 L168 H210 A213 N216 | L166-D170 HydrophobicContact CB-CB 4.11Å; P167-D170 WeakPolarHBondContact CD-OD2 3.25Å; P167-D170 WeakPolarHBondContact O-CB 3.41Å; P167-D170 PolarHBondContact O-N 3.4Å; L168-D170 PolarHBondContact O-N 2.99Å; D170-H210 WeakPolarHBondContact O-CB 3.36Å; D170-H210 PolarHBondContact O-N 3.14Å; D170-A213 HydrophobicContact CB-CB 3.61Å; D170-A213 VanDerWaalsContact OD1-CA 3.3Å; D170-A213 WeakPolarHBondContact OD1-CA 3.18Å; D170-N216 PolarHBondContact OD2-ND2 3.27Å |
| 171 | H | 89.4 | Confident | 81.2 | Confident | 52 Ų | 52 | 91.6 Ų | 91.6 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -127.1 | -13.8 | -178 | 59.3 | -119.8 | 0 | 0 | 0 | 116 | C163 L166 P167 L168 F169 R173 | C163-H171 PolarHBondContact O-ND1 3.16Å; C163-H171 WeakPolarHBondContact SG-CB 3.4Å; L166-H171 PolarHBondContact O-CE1 3.31Å; L166-H171 VanDerWaalsContact O-CE1 3.31Å; L166-H171 PolarHBondContact O-ND1 2.89Å; P167-H171 PolarHBondContact O-ND1 3.09Å; L168-H171 WeakPolarHBondContact CD2-NE2 3.3Å; L168-H171 PolarHBondContact O-N 2.82Å; L168-H171 VanDerWaalsContact O-N 3.09Å; F169-H171 VanDerWaalsContact C-N 3.34Å; H171-R173 PolarHBondContact O-N 2.84Å |
| 172 | C | 85.7 | Confident | 79.5 | Confident | 40 Ų | 40 | 92.8 Ų | 92.8 | 27% | 0.27 | 49% | 0.492 | S | S | . | . | | | trans | -84 | 96.2 | 173.8 | -70 | 0 | 0 | 0 | 0 | 111.9 | L168 E174 M175 | L168-C172 WeakPolarHBondContact O-CB 3.32Å; L168-C172 PolarHBondContact O-N 3.21Å; L168-C172 PolarHBondContact O-SG 2.9Å; L168-C172 VanDerWaalsContact O-SG 3.39Å; C172-E174 PolarHBondContact O-N 3.13Å; C172-E174 VanDerWaalsContact O-N 3.1Å; C172-M175 HydrophobicContact CB-CB 4.34Å; C172-M175 HydrophobicContact CB-CE 4.09Å; C172-M175 HydrophobicContact CB-CG 3.76Å; C172-M175 HydrophobicContact CB-SD 3.71Å; C172-M175 WeakPolarHBondContact O-CB 3.45Å; C172-M175 PolarHBondContact O-N 3.13Å |
| 173 | R | 87 | Confident | 77.9 | Confident | 162 Ų | 162 | 98.7 Ų | 98.7 | 61% | 0.611 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -48.4 | -39.8 | 177.3 | -176.8 | 177.3 | 177 | -165.3 | -1.5 | 113.6 | H171 M175 S176 W208 | H171-R173 PolarHBondContact O-N 2.84Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.11Å; R173-S176 WeakPolarHBondContact O-CB 3.35Å; R173-S176 PolarHBondContact O-N 3.35Å; R173-W208 HydrophobicContact CB-CD2 3.61Å; R173-W208 HydrophobicContact CB-CE3 3.86Å; R173-W208 HydrophobicContact CB-CG 3.93Å; R173-W208 HydrophobicContact CB-CZ2 4.34Å; R173-W208 HydrophobicContact CB-CZ3 4.31Å; R173-W208 HydrophobicContact CG-CD2 3.98Å; R173-W208 HydrophobicContact CG-CG 4.12Å; R173-W208 HydrophobicContact CG-CZ2 4.25Å |
| 174 | E | 80.5 | Confident | 76.4 | Confident | 156 Ų | 156 | 105.3 Ų | 105.3 | 73% | 0.729 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -61.8 | -33.9 | -178.3 | -65.4 | 168.8 | -173.4 | 0 | 0 | 112.9 | C172 S176 L177 | C172-E174 PolarHBondContact O-N 3.13Å; C172-E174 VanDerWaalsContact O-N 3.1Å; E174-S176 PolarHBondContact O-N 3.43Å; E174-L177 PolarHBondContact O-N 3.4Å |
| 175 | M | 72.9 | Confident | 74.6 | Confident | 85 Ų | 85 | 106.8 Ų | 106.8 | 42% | 0.419 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -67.6 | -20.7 | -180 | -65.5 | -178.4 | 177.6 | 0 | 0 | 112.9 | F169 C172 R173 | F169-M175 HydrophobicContact CD1-SD 3.4Å; F169-M175 WeakPolarHBondContact CD1-SD 3.4Å; F169-M175 HydrophobicContact CE1-SD 3.8Å; F169-M175 HydrophobicContact CG-SD 4.14Å; C172-M175 HydrophobicContact CB-CB 4.34Å; C172-M175 HydrophobicContact CB-CE 4.09Å; C172-M175 HydrophobicContact CB-CG 3.76Å; C172-M175 HydrophobicContact CB-SD 3.71Å; C172-M175 WeakPolarHBondContact O-CB 3.45Å; C172-M175 PolarHBondContact O-N 3.13Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.11Å |
| 176 | S | 63.9 | Low | 73 | Confident | 58 Ų | 58 | 107.1 Ų | 107.1 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -81.3 | -15.9 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 114.3 | R173 E174 | R173-S176 WeakPolarHBondContact O-CB 3.35Å; R173-S176 PolarHBondContact O-N 3.35Å; E174-S176 PolarHBondContact O-N 3.43Å |
| 177 | L | 68.6 | Low | 71.2 | Confident | 109 Ų | 109 | 114.8 Ų | 114.8 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -28.9 | -170.5 | -67.4 | 172.7 | 0 | 0 | 0 | 113.3 | E174 N179 S180 | E174-L177 PolarHBondContact O-N 3.4Å; L177-N179 PolarHBondContact O-N 3Å; L177-N179 VanDerWaalsContact O-N 3.12Å; L177-S180 PolarHBondContact O-N 2.99Å |
| 178 | N | 65.7 | Low | 69.2 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -12.5 | -168.3 | -63.2 | -8.3 | 0 | 0 | 0 | 114.9 | | |
| 179 | N | 60.4 | Low | 67 | Low | 153 Ų | 153 | 122.7 Ų | 122.7 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.4 | -177.8 | -73 | 5.5 | 0 | 0 | 0 | 114.4 | L177 | L177-N179 PolarHBondContact O-N 3Å; L177-N179 VanDerWaalsContact O-N 3.12Å |
| 180 | S | 58.3 | Low | 64.9 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -109.8 | 5.1 | -173.8 | -164.9 | 0 | 0 | 0 | 0 | 114.8 | L177 | L177-S180 PolarHBondContact O-N 2.99Š|
| 181 | A | 56.3 | Low | 62.4 | Low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | | | trans | -112.8 | 18.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 182 | L | 58.3 | Low | 60.5 | Low | 144 Ų | 144 | 131.7 Ų | 131.7 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | | | trans | -105.7 | 36.4 | -174 | -130.4 | 172.4 | 0 | 0 | 0 | 112.4 | | |
| 183 | I | 57.7 | Low | 58.3 | Low | 159 Ų | 159 | 134.9 Ų | 134.9 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -142.7 | 62.7 | 179.5 | -43 | 177.8 | 0 | 0 | 0 | 110.4 | | |
| 184 | D | 60.1 | Low | 56.6 | Low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | | -174.1 | 111.6 | 122 | -121.8 | -30.3 | 0 | 0 | 0 | 110.2 | N186 | D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact O-N 3.39Å |
| 185 | E | 56 | Low | 54.6 | Low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | -88.9 | 65.5 | 175.6 | -81.5 | -89.5 | 148.1 | 0 | 0 | 109.7 | | |
| 186 | N | 55.5 | Low | 53.3 | Low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -168.8 | 69.2 | 168.5 | -93.4 | -43.6 | 0 | 0 | 0 | 113 | D184 | D184-N186 VanDerWaalsContact C-N 3.32Å; D184-N186 PolarHBondContact O-N 3.39Å |
| 187 | D | 54.7 | Low | 52 | Low | 173 Ų | 173 | 136.1 Ų | 136.1 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | | -169.3 | 152.8 | 126.1 | -114.2 | -32.8 | 0 | 0 | 0 | 113.2 | | |
| 188 | Y | 49.4 | Very low | 51.3 | Low | 215 Ų | 215 | 137.7 Ų | 137.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -115.3 | 93.4 | -152.7 | -164.7 | -89.4 | 0 | 0 | 0 | 114 | | |
| 189 | S | 44.9 | Very low | 50.6 | Low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -162.5 | 90.4 | 167.7 | -84.2 | 0 | 0 | 0 | 0 | 114.9 | S191 | S189-S191 PolarHBondContact O-N 2.9Š|
| 190 | P | 45.9 | Very low | 50 | Low | 126 Ų | 126 | 137.7 Ų | 137.7 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -90.8 | 71.7 | -177.3 | 36 | -35.4 | 0 | 0 | 0 | 113.6 | | |
| 191 | S | 39.8 | Very low | 49.8 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | trans | -155.9 | 78.4 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 115 | S189 | S189-S191 PolarHBondContact O-N 2.9Š|
| 192 | L | 49.7 | Very low | 49.9 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -125.4 | 113.5 | 163.3 | -74.2 | 177.8 | 0 | 0 | 0 | 110.9 | | |
| 193 | S | 38.1 | Very low | 49.9 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -68.3 | 141.9 | 179.6 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | S195 | S193-S195 PolarHBondContact O-N 2.94Š|
| 194 | L | 51.7 | Low | 50.2 | Low | 184 Ų | 184 | 138.4 Ų | 138.4 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -71.4 | 72.6 | 167.8 | -73.8 | 80.9 | 0 | 0 | 0 | 110.3 | | |
| 195 | S | 38.6 | Very low | 51.1 | Low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -154.5 | 49.5 | -177.4 | -172.4 | 0 | 0 | 0 | 0 | 113.9 | S193 | S193-S195 PolarHBondContact O-N 2.94Š|
| 196 | S | 45.1 | Very low | 52.5 | Low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -128.5 | 143 | 149.3 | 64.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 197 | G | 37.8 | Very low | 54.2 | Low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | | | cis | 131.2 | 18.2 | 8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 198 | I | 54.1 | Low | 56.1 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | -123.9 | 132.1 | -177.6 | -57.4 | -179.8 | 0 | 0 | 0 | 109.2 | S200 | I198-S200 PolarHBondContact O-N 3.32Å; I198-S200 PolarHBondContact O-OG 3.47Å; I198-S200 VanDerWaalsContact O-OG 3.05Å |
| 199 | E | 49.9 | Very low | 58.2 | Low | 199 Ų | 199 | 113 Ų | 113 | 93% | 0.93 | 67% | 0.674 | S | S | * | * | | | trans | -61.4 | 114.4 | -170.9 | -60.1 | 175.2 | 151.3 | 0 | 0 | 111.7 | | |
| 200 | S | 48.8 | Very low | 60.5 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | | | trans | -151.9 | 40.1 | -176 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | I198 E202 | I198-S200 PolarHBondContact O-N 3.32Å; I198-S200 PolarHBondContact O-OG 3.47Å; I198-S200 VanDerWaalsContact O-OG 3.05Å; S200-E202 PolarHBondContact O-N 3.06Å |
| 201 | S | 52.5 | Low | 62.6 | Low | 114 Ų | 114 | 108.1 Ų | 108.1 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -1.4 | -167.6 | 49.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 202 | E | 58.6 | Low | 65.1 | Low | 168 Ų | 168 | 106.8 Ų | 106.8 | 79% | 0.785 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | -17.6 | -176.3 | -60.3 | -166.6 | 153.3 | 0 | 0 | 114.6 | S200 | S200-E202 PolarHBondContact O-N 3.06Š|
| 203 | Q | 59.7 | Low | 67.1 | Low | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -78.2 | -19.3 | 179.6 | -106.2 | 76.7 | 40.5 | 0 | 0 | 114.5 | N205 T206 | Q203-N205 PolarHBondContact O-N 3.07Å; Q203-N205 VanDerWaalsContact O-N 3.13Å; Q203-T206 PolarHBondContact O-N 2.92Å; Q203-T206 VanDerWaalsContact O-N 3.16Å; Q203-T206 PolarHBondContact O-OG1 2.74Å |
| 204 | S | 63.2 | Low | 69.7 | Low | 95 Ų | 95 | 94 Ų | 94 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -63.5 | -20.4 | -167.8 | 53.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 205 | N | 78 | Confident | 71.5 | Confident | 119 Ų | 119 | 90.4 Ų | 90.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -87.4 | 3.2 | 179.3 | -70.1 | -37.9 | 0 | 0 | 0 | 114.1 | L156 Q203 | L156-N205 WeakPolarHBondContact CD1-O 3.4Å; L156-N205 HydrophobicContact CD2-CB 4.34Å; Q203-N205 PolarHBondContact O-N 3.07Å; Q203-N205 VanDerWaalsContact O-N 3.13Å |
| 206 | T | 85.7 | Confident | 73.9 | Confident | 98 Ų | 98 | 86.8 Ų | 86.8 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -81.5 | 129.1 | 179 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | Q203 W208 | Q203-T206 PolarHBondContact O-N 2.92Å; Q203-T206 VanDerWaalsContact O-N 3.16Å; Q203-T206 PolarHBondContact O-OG1 2.74Å; T206-W208 PolarHBondContact O-N 3.28Å; T206-W208 VanDerWaalsContact O-N 3.14Å |
| 207 | V | 92.6 | Very high | 76 | Confident | 20 Ų | 20 | 89 Ų | 89 | 12% | 0.121 | 50% | 0.498 | C | S | . | . | | | trans | -71.7 | 109.1 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 108.8 | F151 L156 Q159 Q160 C163 | F151-V207 HydrophobicContact CE1-CG1 4.49Å; F151-V207 HydrophobicContact CZ-CG1 4.29Å; L156-V207 HydrophobicContact CD1-CG2 3.68Å; Q159-V207 HydrophobicContact CB-CB 4.16Å; Q159-V207 HydrophobicContact CB-CG2 3.91Å; Q160-V207 HydrophobicContact CG-CG2 3.59Å; C163-V207 HydrophobicContact CB-CG1 3.77Å; C163-V207 VanDerWaalsContact SG-CG1 3.53Å |
| 208 | W | 93.6 | Very high | 78.5 | Confident | 81 Ų | 81 | 93 Ų | 93 | 31% | 0.307 | 49% | 0.493 | S | S | . | . | | | trans | -67.2 | 139.1 | 170.8 | -173.1 | 92 | 0 | 0 | 0 | 110 | R173 T206 H210 | R173-W208 HydrophobicContact CB-CD2 3.61Å; R173-W208 HydrophobicContact CB-CE3 3.86Å; R173-W208 HydrophobicContact CB-CG 3.93Å; R173-W208 HydrophobicContact CB-CZ2 4.34Å; R173-W208 HydrophobicContact CB-CZ3 4.31Å; R173-W208 HydrophobicContact CG-CD2 3.98Å; R173-W208 HydrophobicContact CG-CG 4.12Å; R173-W208 HydrophobicContact CG-CZ2 4.25Å; T206-W208 PolarHBondContact O-N 3.28Å; T206-W208 VanDerWaalsContact O-N 3.14Å; W208-H210 HydrophobicContact CH2-CB 3.69Å; W208-H210 AromaticContact CH2-CD2 3.84Å; W208-H210 HydrophobicContact CZ3-CB 3.92Å |
| 209 | L | 93.2 | Very high | 80.1 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 5% | 0.052 | 46% | 0.463 | C | S | . | . | | | trans | -143.6 | 132.6 | -178.7 | -170.4 | 72.5 | 0 | 0 | 0 | 108.5 | F151 L166 A213 L214 | F151-L209 HydrophobicContact CD1-CD2 3.99Å; F151-L209 HydrophobicContact CD2-CD2 4.28Å; F151-L209 HydrophobicContact CE1-CB 4.37Å; F151-L209 HydrophobicContact CE1-CD2 3.89Å; F151-L209 HydrophobicContact CE2-CD2 4.17Å; F151-L209 HydrophobicContact CG-CD2 4.2Å; F151-L209 HydrophobicContact CZ-CD1 4.48Å; F151-L209 HydrophobicContact CZ-CD2 3.98Å; L166-L209 HydrophobicContact CD1-CD1 3.69Å; L209-A213 HydrophobicContact CD1-CB 3.73Å; L209-A213 HydrophobicContact CD2-CB 4.2Å; L209-A213 HydrophobicContact CG-CB 3.71Å; L209-L214 HydrophobicContact CD2-CD1 4.14Å; L209-L214 HydrophobicContact CD2-CD2 3.94Å; L209-L214 HydrophobicContact CD2-CG 3.81Å |
| 210 | H | 93.2 | Very high | 81.9 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 25% | 0.245 | 43% | 0.427 | C | S | . | . | | | trans | -64.5 | 140.2 | 179.8 | -172.4 | -108.5 | 0 | 0 | 0 | 110.5 | D170 W208 T212 A213 | D170-H210 WeakPolarHBondContact O-CB 3.36Å; D170-H210 PolarHBondContact O-N 3.14Å; W208-H210 HydrophobicContact CH2-CB 3.69Å; W208-H210 AromaticContact CH2-CD2 3.84Å; W208-H210 HydrophobicContact CZ3-CB 3.92Å; H210-T212 PolarHBondContact CE1-OG1 3.02Å; H210-T212 VanDerWaalsContact CE1-OG1 3.28Å; H210-T212 PolarHBondContact ND1-OG1 2.85Å; H210-T212 PolarHBondContact O-N 2.81Å; H210-A213 HydrophobicContact CB-CB 4.48Å; H210-A213 WeakPolarHBondContact O-CB 3.3Å; H210-A213 PolarHBondContact O-N 3.5Å |
| 211 | P | 90.9 | Very high | 84 | Confident | 81 Ų | 81 | 80.8 Ų | 80.8 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.5 | -174.2 | -28.7 | 37.1 | 0 | 0 | 0 | 115.4 | | |
| 212 | T | 91.8 | Very high | 85.8 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 45% | 0.454 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -8.6 | 176.9 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | H210 L214 N215 N216 | H210-T212 PolarHBondContact CE1-OG1 3.02Å; H210-T212 VanDerWaalsContact CE1-OG1 3.28Å; H210-T212 PolarHBondContact ND1-OG1 2.85Å; H210-T212 PolarHBondContact O-N 2.81Å; T212-L214 PolarHBondContact O-N 3.34Å; T212-N215 CarbonylContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-CA 3.31Å; T212-N215 WeakPolarHBondContact O-CA 3.43Å; T212-N215 WeakPolarHBondContact O-CB 3.48Å; T212-N215 PolarHBondContact O-N 2.93Å; T212-N216 PolarHBondContact O-N 3.09Å |
| 213 | A | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -59.4 | -43.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | L166 D170 L209 H210 N215 N216 | L166-A213 HydrophobicContact CD1-CB 4.24Å; D170-A213 HydrophobicContact CB-CB 3.61Å; D170-A213 VanDerWaalsContact OD1-CA 3.3Å; D170-A213 WeakPolarHBondContact OD1-CA 3.18Å; L209-A213 HydrophobicContact CD1-CB 3.73Å; L209-A213 HydrophobicContact CD2-CB 4.2Å; L209-A213 HydrophobicContact CG-CB 3.71Å; H210-A213 HydrophobicContact CB-CB 4.48Å; H210-A213 WeakPolarHBondContact O-CB 3.3Å; H210-A213 PolarHBondContact O-N 3.5Å; A213-N215 VanDerWaalsContact C-N 3.25Å; A213-N215 PolarHBondContact O-N 3.28Å; A213-N216 WeakPolarHBondContact O-CB 3.28Å; A213-N216 PolarHBondContact O-N 3.16Å |
| 214 | L | 91 | Very high | 88.7 | Confident | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -75.9 | -15.7 | 176 | -56.1 | 178.5 | 0 | 0 | 0 | 112.8 | I146 N147 R148 F151 L209 T212 F219 | I146-L214 HydrophobicContact CG2-CD2 4.29Å; N147-L214 VanDerWaalsContact C-CD1 3.49Å; N147-L214 WeakPolarHBondContact O-CD1 3.41Å; R148-L214 HydrophobicContact CB-CD1 4.34Å; F151-L214 HydrophobicContact CB-CD1 3.91Å; F151-L214 HydrophobicContact CD2-CD2 4.25Å; F151-L214 HydrophobicContact CG-CD1 4.38Å; L209-L214 HydrophobicContact CD2-CD1 4.14Å; L209-L214 HydrophobicContact CD2-CD2 3.94Å; L209-L214 HydrophobicContact CD2-CG 3.81Å; T212-L214 PolarHBondContact O-N 3.34Å; L214-F219 HydrophobicContact CB-CE1 4.43Å; L214-F219 HydrophobicContact CD2-CD1 4.33Å; L214-F219 HydrophobicContact CD2-CE1 3.79Å; L214-F219 HydrophobicContact CD2-CZ 4.15Å |
| 215 | N | 89.9 | Confident | 90.2 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -93.5 | -6.2 | 172.9 | -76.9 | -34.4 | 0 | 0 | 0 | 113.1 | T212 A213 E217 | T212-N215 CarbonylContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-C 3.31Å; T212-N215 VanDerWaalsContact O-CA 3.31Å; T212-N215 WeakPolarHBondContact O-CA 3.43Å; T212-N215 WeakPolarHBondContact O-CB 3.48Å; T212-N215 PolarHBondContact O-N 2.93Å; A213-N215 VanDerWaalsContact C-N 3.25Å; A213-N215 PolarHBondContact O-N 3.28Å; N215-E217 PolarHBondContact O-N 3.42Å |
| 216 | N | 88.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 17% | 0.171 | 33% | 0.334 | C | S | . | . | | | trans | -54.4 | 134.5 | 179 | -173.8 | -30.7 | 0 | 0 | 0 | 110.2 | D170 T212 A213 F218 F219 T220 | D170-N216 PolarHBondContact OD2-ND2 3.27Å; T212-N216 PolarHBondContact O-N 3.09Å; A213-N216 WeakPolarHBondContact O-CB 3.28Å; A213-N216 PolarHBondContact O-N 3.16Å; N216-F218 PolarHBondContact O-N 3.48Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.18Å; N216-F218 PolarHBondContact OD1-N 2.9Å; N216-F219 HydrophobicContact CB-CB 4.37Å; N216-F219 PolarHBondContact O-N 2.95Å; N216-F219 VanDerWaalsContact O-N 3.12Å; N216-T220 WeakPolarHBondContact O-CB 3.49Å; N216-T220 PolarHBondContact O-N 3.45Å; N216-T220 PolarHBondContact O-OG1 2.95Å |
| 217 | E | 90.7 | Very high | 90.9 | Very high | 161 Ų | 161 | 61.5 Ų | 61.5 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.5 | -38.1 | 178.1 | -64.4 | -168.5 | 161.2 | 0 | 0 | 112 | N215 F219 K221 | N215-E217 PolarHBondContact O-N 3.42Å; E217-F219 PolarHBondContact O-N 2.89Å; E217-K221 WeakPolarHBondContact O-CB 3.15Å; E217-K221 PolarHBondContact O-N 2.92Å |
| 218 | F | 89.3 | Confident | 90.9 | Very high | 164 Ų | 164 | 64.5 Ų | 64.5 | 72% | 0.719 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 177.3 | -69.7 | -74.6 | 0 | 0 | 0 | 112.1 | N216 A222 | N216-F218 PolarHBondContact O-N 3.48Å; N216-F218 WeakPolarHBondContact OD1-CD2 3.18Å; N216-F218 PolarHBondContact OD1-N 2.9Å; F218-A222 VanDerWaalsContact O-CB 3.23Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3.39Å |
| 219 | F | 88.4 | Confident | 90.8 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.8 | -46.5 | 177.9 | -175.3 | -109.9 | 0 | 0 | 0 | 111.7 | I146 L166 L214 N216 E217 K221 A222 L223 | I146-F219 HydrophobicContact CD1-CZ 4.32Å; I146-F219 HydrophobicContact CG2-CE1 4.28Å; I146-F219 HydrophobicContact CG2-CZ 4.09Å; L166-F219 HydrophobicContact CD2-CB 3.77Å; L166-F219 HydrophobicContact CD2-CD2 3.6Å; L166-F219 HydrophobicContact CD2-CE2 4.39Å; L166-F219 HydrophobicContact CD2-CG 3.82Å; L214-F219 HydrophobicContact CB-CE1 4.43Å; L214-F219 HydrophobicContact CD2-CD1 4.33Å; L214-F219 HydrophobicContact CD2-CE1 3.79Å; L214-F219 HydrophobicContact CD2-CZ 4.15Å; N216-F219 HydrophobicContact CB-CB 4.37Å; N216-F219 PolarHBondContact O-N 2.95Å; N216-F219 VanDerWaalsContact O-N 3.12Å; E217-F219 PolarHBondContact O-N 2.89Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 3.43Å; F219-A222 PolarHBondContact O-N 3.07Å; F219-A222 VanDerWaalsContact O-N 3.11Å; F219-L223 HydrophobicContact CD1-CD1 4.06Å; F219-L223 HydrophobicContact CD1-CG 4.47Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CE2-CD2 4.37Å; F219-L223 HydrophobicContact CE2-CG 4.36Å; F219-L223 HydrophobicContact CZ-CD1 3.77Å; F219-L223 HydrophobicContact CZ-CD2 4.2Å; F219-L223 HydrophobicContact CZ-CG 4.09Å; F219-L223 WeakPolarHBondContact O-CG 3.23Å; F219-L223 PolarHBondContact O-N 3.13Å |
| 220 | T | 87.8 | Confident | 90.6 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52.4 | -49.4 | 172.8 | -68.6 | 0 | 0 | 0 | 0 | 110.8 | K143 N216 L223 Q224 | K143-T220 HydrophobicContact CD-CG2 3.93Å; K143-T220 WeakPolarHBondContact CE-OG1 3.34Å; K143-T220 PolarHBondContact NZ-OG1 3.27Å; N216-T220 WeakPolarHBondContact O-CB 3.49Å; N216-T220 PolarHBondContact O-N 3.45Å; N216-T220 PolarHBondContact O-OG1 2.95Å; T220-L223 PolarHBondContact O-N 3.19Å; T220-Q224 PolarHBondContact O-N 2.96Å |
| 221 | K | 91.6 | Very high | 90.4 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 178.1 | -168 | -172.1 | -173.7 | -52.1 | 0 | 111.9 | E217 F219 L223 Q224 D225 | E217-K221 WeakPolarHBondContact O-CB 3.15Å; E217-K221 PolarHBondContact O-N 2.92Å; F219-K221 VanDerWaalsContact C-N 3.3Å; F219-K221 PolarHBondContact O-N 3.43Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.01Å; K221-Q224 PolarHBondContact O-N 3.21Å; K221-D225 IonicContact NZ-OD1 3.81Å; K221-D225 PolarHBondContact NZ-OD1 3.37Å; K221-D225 IonicContact NZ-OD2 3.02Å; K221-D225 PolarHBondContact NZ-OD2 3.28Å; K221-D225 WeakPolarHBondContact O-CB 3.11Å; K221-D225 PolarHBondContact O-N 2.9Å |
| 222 | A | 90.6 | Very high | 90.4 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F218 F219 F226 | F218-A222 VanDerWaalsContact O-CB 3.23Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3.39Å; F219-A222 PolarHBondContact O-N 3.07Å; F219-A222 VanDerWaalsContact O-N 3.11Å; A222-F226 WeakPolarHBondContact O-CB 3.43Å; A222-F226 PolarHBondContact O-N 2.8Å |
| 223 | L | 90.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.115 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 174.5 | -68.6 | -174.2 | 0 | 0 | 0 | 112.5 | L142 K143 I146 F219 T220 K221 F226 | L142-L223 HydrophobicContact CB-CB 4.15Å; L142-L223 HydrophobicContact CB-CD1 4.19Å; L142-L223 HydrophobicContact CB-CD2 4.06Å; L142-L223 HydrophobicContact CB-CG 4.37Å; L142-L223 HydrophobicContact CD1-CD2 4.27Å; K143-L223 HydrophobicContact CB-CD1 4.41Å; I146-L223 HydrophobicContact CD1-CD1 4.31Å; I146-L223 HydrophobicContact CD1-CD2 4.09Å; F219-L223 HydrophobicContact CD1-CD1 4.06Å; F219-L223 HydrophobicContact CD1-CG 4.47Å; F219-L223 HydrophobicContact CE1-CD1 3.5Å; F219-L223 HydrophobicContact CE1-CG 4.15Å; F219-L223 HydrophobicContact CE2-CD2 4.37Å; F219-L223 HydrophobicContact CE2-CG 4.36Å; F219-L223 HydrophobicContact CZ-CD1 3.77Å; F219-L223 HydrophobicContact CZ-CD2 4.2Å; F219-L223 HydrophobicContact CZ-CG 4.09Å; F219-L223 WeakPolarHBondContact O-CG 3.23Å; F219-L223 PolarHBondContact O-N 3.13Å; T220-L223 PolarHBondContact O-N 3.19Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.01Å; L223-F226 WeakPolarHBondContact O-CB 3.17Å; L223-F226 PolarHBondContact O-N 3.48Å |
| 224 | Q | 89.6 | Confident | 90.4 | Very high | 141 Ų | 141 | 69.2 Ų | 69.2 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.4 | -45.2 | 175.9 | -168.2 | 174.1 | 16.7 | 0 | 0 | 111.6 | T220 K221 F226 D228 | T220-Q224 PolarHBondContact O-N 2.96Å; K221-Q224 PolarHBondContact O-N 3.21Å; Q224-F226 PolarHBondContact O-N 3.5Å; Q224-D228 PolarHBondContact O-N 3.29Å |
| 225 | D | 93.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.7 | -31.7 | 171.7 | -86.2 | 24.2 | 0 | 0 | 0 | 111.7 | K221 D228 R229 | K221-D225 IonicContact NZ-OD1 3.81Å; K221-D225 PolarHBondContact NZ-OD1 3.37Å; K221-D225 IonicContact NZ-OD2 3.02Å; K221-D225 PolarHBondContact NZ-OD2 3.28Å; K221-D225 WeakPolarHBondContact O-CB 3.11Å; K221-D225 PolarHBondContact O-N 2.9Å; D225-D228 PolarHBondContact O-N 3.29Å; D225-R229 VanDerWaalsContact O-CB 3.26Å; D225-R229 WeakPolarHBondContact O-CB 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.2Å; D225-R229 IonicContact OD2-CZ 3.66Å; D225-R229 IonicContact OD2-NE 3.83Å; D225-R229 IonicContact OD2-NH2 2.74Å; D225-R229 PolarHBondContact OD2-NH2 2.89Å |
| 226 | F | 90.6 | Very high | 89.8 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -55.1 | -179.7 | 177.6 | -85.2 | 0 | 0 | 0 | 111.4 | L137 L142 A222 L223 Q224 D228 R229 Q230 F235 | L137-F226 HydrophobicContact CB-CE1 4.38Å; L142-F226 HydrophobicContact CD1-CB 4.29Å; L142-F226 HydrophobicContact CD1-CD1 3.55Å; L142-F226 HydrophobicContact CD1-CE1 4.21Å; L142-F226 HydrophobicContact CD1-CG 4.11Å; A222-F226 WeakPolarHBondContact O-CB 3.43Å; A222-F226 PolarHBondContact O-N 2.8Å; L223-F226 WeakPolarHBondContact O-CB 3.17Å; L223-F226 PolarHBondContact O-N 3.48Å; Q224-F226 PolarHBondContact O-N 3.5Å; F226-D228 PolarHBondContact O-N 2.8Å; F226-R229 PolarHBondContact O-N 2.85Å; F226-Q230 HydrophobicContact CE1-CB 4.44Å; F226-Q230 WeakPolarHBondContact O-CB 3.44Å; F226-Q230 PolarHBondContact O-N 3.31Å; F226-F235 HydrophobicContact CD2-CE1 4.49Å; F226-F235 AromaticContact CD2-CE2 3.54Å; F226-F235 HydrophobicContact CD2-CE2 3.54Å; F226-F235 AromaticContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CD2-CZ 3.48Å; F226-F235 VanDerWaalsContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CE2-CD2 4.14Å; F226-F235 HydrophobicContact CE2-CE1 4.31Å; F226-F235 AromaticContact CE2-CE2 3.48Å; F226-F235 HydrophobicContact CE2-CE2 3.48Å; F226-F235 VanDerWaalsContact CE2-CE2 3.48Å; F226-F235 AromaticContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CG-CE2 4.14Å; F226-F235 HydrophobicContact CG-CZ 4.39Å; F226-F235 HydrophobicContact CZ-CD2 4.4Å; F226-F235 HydrophobicContact CZ-CE2 4.04Å |
| 227 | S | 89.4 | Confident | 89.3 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L137 Q230 A231 | L137-S227 PolarHBondContact O-OG 3.12Å; S227-Q230 PolarHBondContact O-N 3.44Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.32Å; S227-A231 PolarHBondContact O-N 3.13Å |
| 228 | D | 91.2 | Very high | 88.5 | Confident | 83 Ų | 83 | 73.3 Ų | 73.3 | 44% | 0.444 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 178.2 | -143 | 41.3 | 0 | 0 | 0 | 112.6 | Q224 D225 F226 K232 | Q224-D228 PolarHBondContact O-N 3.29Å; D225-D228 PolarHBondContact O-N 3.29Å; F226-D228 PolarHBondContact O-N 2.8Å; D228-K232 WeakPolarHBondContact O-CB 3.4Å; D228-K232 WeakPolarHBondContact O-CD 3.34Å; D228-K232 VanDerWaalsContact O-CE 3.32Å; D228-K232 WeakPolarHBondContact O-CE 3.45Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact OD2-CE 3.31Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 2.65Å; D228-K232 PolarHBondContact OD2-NZ 3.01Å |
| 229 | R | 91.9 | Very high | 87.5 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.7 | -33.7 | 175.8 | -70.8 | 176.1 | -157.1 | -173.5 | 9.7 | 112.3 | D225 F226 K232 G233 E234 F235 | D225-R229 VanDerWaalsContact O-CB 3.26Å; D225-R229 WeakPolarHBondContact O-CB 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.42Å; D225-R229 PolarHBondContact O-N 3.2Å; D225-R229 IonicContact OD2-CZ 3.66Å; D225-R229 IonicContact OD2-NE 3.83Å; D225-R229 IonicContact OD2-NH2 2.74Å; D225-R229 PolarHBondContact OD2-NH2 2.89Å; F226-R229 PolarHBondContact O-N 2.85Å; R229-K232 PolarHBondContact O-N 2.87Å; R229-G233 PolarHBondContact O-N 3.3Å; R229-E234 HydrophobicContact CB-CB 4.17Å; R229-E234 HydrophobicContact CB-CG 4.34Å; R229-E234 WeakPolarHBondContact CG-OE2 3.15Å; R229-E234 WeakPolarHBondContact O-CB 3.42Å; R229-E234 PolarHBondContact O-N 3.24Å; R229-F235 HydrophobicContact CB-CE2 3.96Å; R229-F235 HydrophobicContact CB-CZ 4.28Å |
| 230 | Q | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 172.5 | -168.2 | -178.7 | 32.1 | 0 | 0 | 110.4 | L130 P133 T138 F226 S227 K232 G233 F235 | L130-Q230 PolarHBondContact O-NE2 3.09Å; P133-Q230 WeakPolarHBondContact CB-O 3.39Å; T138-Q230 HydrophobicContact CG2-CB 3.78Å; T138-Q230 HydrophobicContact CG2-CG 3.62Å; F226-Q230 HydrophobicContact CE1-CB 4.44Å; F226-Q230 WeakPolarHBondContact O-CB 3.44Å; F226-Q230 PolarHBondContact O-N 3.31Å; S227-Q230 PolarHBondContact O-N 3.44Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.17Å; Q230-G233 PolarHBondContact O-N 3.13Å; Q230-F235 HydrophobicContact CB-CD2 3.8Å; Q230-F235 HydrophobicContact CB-CE2 4.09Å; Q230-F235 HydrophobicContact CG-CD2 4.25Å |
| 231 | A | 89 | Confident | 84.4 | Confident | 59 Ų | 59 | 86.6 Ų | 86.6 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.8 | -33.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S227 G233 | S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.32Å; S227-A231 PolarHBondContact O-N 3.13Å; A231-G233 PolarHBondContact O-N 3.25Å |
| 232 | K | 91.5 | Very high | 82.7 | Confident | 122 Ų | 122 | 91 Ų | 91 | 53% | 0.53 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8.5 | 172.1 | -70.3 | 159.6 | -158.3 | 166.9 | 0 | 114.1 | D228 R229 Q230 E234 | D228-K232 WeakPolarHBondContact O-CB 3.4Å; D228-K232 WeakPolarHBondContact O-CD 3.34Å; D228-K232 VanDerWaalsContact O-CE 3.32Å; D228-K232 WeakPolarHBondContact O-CE 3.45Å; D228-K232 WeakPolarHBondContact O-CG 3.43Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact OD2-CE 3.31Å; D228-K232 WeakPolarHBondContact OD2-CE 3.4Å; D228-K232 IonicContact OD2-NZ 2.65Å; D228-K232 PolarHBondContact OD2-NZ 3.01Å; R229-K232 PolarHBondContact O-N 2.87Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.17Å; K232-E234 HydrophobicContact CB-CG 4.16Å |
| 233 | G | 91.5 | Very high | 81.3 | Confident | 22 Ų | 22 | 92.1 Ų | 92.1 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 33.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R229 Q230 A231 T236 | R229-G233 PolarHBondContact O-N 3.3Å; Q230-G233 PolarHBondContact O-N 3.13Å; A231-G233 PolarHBondContact O-N 3.25Å; G233-T236 WeakPolarHBondContact CA-OG1 3.39Å |
| 234 | E | 91.8 | Very high | 79.7 | Confident | 89 Ų | 89 | 93.1 Ų | 93.1 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -74.6 | -35.3 | 176.4 | -67.9 | -174.6 | -157.3 | 0 | 0 | 112.5 | R229 K232 | R229-E234 HydrophobicContact CB-CB 4.17Å; R229-E234 HydrophobicContact CB-CG 4.34Å; R229-E234 WeakPolarHBondContact CG-OE2 3.15Å; R229-E234 WeakPolarHBondContact O-CB 3.42Å; R229-E234 PolarHBondContact O-N 3.24Å; K232-E234 HydrophobicContact CB-CG 4.16Å |
| 235 | F | 86 | Confident | 78.2 | Confident | 86 Ų | 86 | 93.1 Ų | 93.1 | 38% | 0.377 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -77.4 | -28.1 | 175 | -59.4 | -61.1 | 0 | 0 | 0 | 113.1 | F226 R229 Q230 P237 | F226-F235 HydrophobicContact CD2-CE1 4.49Å; F226-F235 AromaticContact CD2-CE2 3.54Å; F226-F235 HydrophobicContact CD2-CE2 3.54Å; F226-F235 AromaticContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CD2-CZ 3.48Å; F226-F235 VanDerWaalsContact CD2-CZ 3.48Å; F226-F235 HydrophobicContact CE2-CD2 4.14Å; F226-F235 HydrophobicContact CE2-CE1 4.31Å; F226-F235 AromaticContact CE2-CE2 3.48Å; F226-F235 HydrophobicContact CE2-CE2 3.48Å; F226-F235 VanDerWaalsContact CE2-CE2 3.48Å; F226-F235 AromaticContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CE2-CZ 3.59Å; F226-F235 HydrophobicContact CG-CE2 4.14Å; F226-F235 HydrophobicContact CG-CZ 4.39Å; F226-F235 HydrophobicContact CZ-CD2 4.4Å; F226-F235 HydrophobicContact CZ-CE2 4.04Å; R229-F235 HydrophobicContact CB-CE2 3.96Å; R229-F235 HydrophobicContact CB-CZ 4.28Å; Q230-F235 HydrophobicContact CB-CD2 3.8Å; Q230-F235 HydrophobicContact CB-CE2 4.09Å; Q230-F235 HydrophobicContact CG-CD2 4.25Å; F235-P237 VanDerWaalsContact O-CD 3.3Å; F235-P237 WeakPolarHBondContact O-CD 3.44Å; F235-P237 VanDerWaalsContact O-N 3.08Å |
| 236 | T | 83.5 | Confident | 76.7 | Confident | 49 Ų | 49 | 101.3 Ų | 101.3 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -54.7 | 117.4 | 176.3 | -41.1 | 0 | 0 | 0 | 0 | 108.8 | E131 G233 R238 | E131-T236 PolarHBondContact O-OG1 3.5Å; G233-T236 WeakPolarHBondContact CA-OG1 3.39Å; T236-R238 PolarHBondContact O-N 2.87Å |
| 237 | P | 77.8 | Confident | 75.3 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | | | trans | -55.6 | 110.5 | -169 | -30.6 | 35.9 | 0 | 0 | 0 | 110.4 | E131 F235 I239 | E131-P237 VanDerWaalsContact CD-CG 3.43Å; E131-P237 WeakPolarHBondContact OE1-CG 3.49Å; E131-P237 WeakPolarHBondContact OE2-CD 3.12Å; E131-P237 VanDerWaalsContact OE2-CG 3.25Å; E131-P237 WeakPolarHBondContact OE2-CG 3.46Å; F235-P237 VanDerWaalsContact O-CD 3.3Å; F235-P237 WeakPolarHBondContact O-CD 3.44Å; F235-P237 VanDerWaalsContact O-N 3.08Å; P237-I239 WeakPolarHBondContact O-CG1 3.44Å; P237-I239 PolarHBondContact O-N 3.05Å |
| 238 | R | 74.7 | Confident | 73.8 | Confident | 198 Ų | 198 | 109.1 Ų | 109.1 | 75% | 0.747 | 54% | 0.541 | S | S | * | . | | | trans | -62.3 | 89.1 | -179.9 | -71.3 | -174.1 | -177.1 | 175.9 | 3.6 | 108.4 | T236 R240 | T236-R238 PolarHBondContact O-N 2.87Å; R238-R240 PolarHBondContact O-N 2.81Å |
| 239 | I | 68.2 | Low | 72.4 | Confident | 141 Ų | 141 | 110.6 Ų | 110.6 | 72% | 0.723 | 55% | 0.552 | S | S | * | * | | | trans | -51.6 | 105 | -177.3 | -63.8 | 179.2 | 0 | 0 | 0 | 105.8 | P237 N241 | P237-I239 WeakPolarHBondContact O-CG1 3.44Å; P237-I239 PolarHBondContact O-N 3.05Å; I239-N241 PolarHBondContact O-N 3.35Å |
| 240 | R | 56.5 | Low | 70.9 | Confident | 235 Ų | 235 | 108.4 Ų | 108.4 | 89% | 0.887 | 56% | 0.563 | S | S | * | * | | | trans | -71.1 | 83.3 | -173.7 | -79.6 | -177.7 | 173.2 | 161.9 | -2.8 | 107.1 | R238 R242 | R238-R240 PolarHBondContact O-N 2.81Å; R240-R242 PolarHBondContact O-N 2.9Å |
| 241 | N | 53.5 | Low | 69.4 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 64% | 0.642 | 60% | 0.6 | S | S | * | * | | | trans | -62.7 | 74.9 | 170.3 | -83.6 | -49.2 | 0 | 0 | 0 | 108 | I239 A243 G244 | I239-N241 PolarHBondContact O-N 3.35Å; N241-A243 PolarHBondContact O-N 2.9Å; N241-G244 PolarHBondContact O-N 2.8Å |
| 242 | R | 57.5 | Low | 67.9 | Low | 206 Ų | 206 | 123.5 Ų | 123.5 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.7 | -15.6 | -177.7 | -140.7 | 170.9 | -175.5 | 175.8 | 0.6 | 111.2 | R240 R246 | R240-R242 PolarHBondContact O-N 2.9Å; R242-R246 WeakPolarHBondContact O-CG 3.47Å; R242-R246 PolarHBondContact O-N 3.29Å |
| 243 | A | 59.7 | Low | 65.9 | Low | 75 Ų | 75 | 127.2 Ų | 127.2 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.1 | -44.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N241 R246 A247 | N241-A243 PolarHBondContact O-N 2.9Å; A243-R246 PolarHBondContact O-N 3.12Å; A243-A247 PolarHBondContact O-N 3Å |
| 244 | G | 58.7 | Low | 64 | Low | 42 Ų | 42 | 137 Ų | 137 | 43% | 0.433 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65.1 | -47.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N241 R246 A247 H248 | N241-G244 PolarHBondContact O-N 2.8Å; G244-R246 PolarHBondContact O-N 2.96Å; G244-A247 WeakPolarHBondContact O-CB 3.41Å; G244-A247 PolarHBondContact O-N 3.23Å; G244-A247 VanDerWaalsContact O-N 3.16Å; G244-H248 PolarHBondContact O-N 2.99Å |
| 245 | L | 57.9 | Low | 62.1 | Low | 142 Ų | 142 | 142.9 Ų | 142.9 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.2 | -22.6 | 174.8 | -92 | 159.7 | 0 | 0 | 0 | 113.4 | V249 | L245-V249 WeakPolarHBondContact O-CG2 3.44Å |
| 246 | R | 61.1 | Low | 60.7 | Low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -82.5 | -29.4 | 171.3 | -78.5 | -172.9 | 167.6 | -142.2 | -3.8 | 113.3 | R242 A243 G244 | R242-R246 WeakPolarHBondContact O-CG 3.47Å; R242-R246 PolarHBondContact O-N 3.29Å; A243-R246 PolarHBondContact O-N 3.12Å; G244-R246 PolarHBondContact O-N 2.96Å |
| 247 | A | 60.7 | Low | 59 | Low | 69 Ų | 69 | 146.7 Ų | 146.7 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -64.1 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A243 G244 | A243-A247 PolarHBondContact O-N 3Å; G244-A247 WeakPolarHBondContact O-CB 3.41Å; G244-A247 PolarHBondContact O-N 3.23Å; G244-A247 VanDerWaalsContact O-N 3.16Å |
| 248 | H | 58.9 | Low | 57.3 | Low | 175 Ų | 175 | 149.5 Ų | 149.5 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -12.8 | -175.6 | -106.9 | -74.8 | 0 | 0 | 0 | 115.9 | G244 | G244-H248 PolarHBondContact O-N 2.99Š|
| 249 | V | 62.4 | Low | 56.1 | Low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -14.3 | -179.8 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | L245 | L245-V249 WeakPolarHBondContact O-CG2 3.44Š|
| 250 | G | 58.3 | Low | 54.8 | Low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -22.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 251 | N | 57.8 | Low | 54.2 | Low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 17.3 | -166.8 | -77.8 | 17.5 | 0 | 0 | 0 | 115.4 | Y253 | N251-Y253 PolarHBondContact O-N 2.66Š|
| 252 | R | 58.8 | Low | 53.7 | Low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | -78.9 | 108 | 168.1 | -70.2 | -168.7 | -175.8 | -175.7 | 2 | 109.5 | R254 | R252-R254 PolarHBondContact O-N 2.73Š|
| 253 | Y | 48 | Very low | 52.9 | Low | 199 Ų | 199 | 143 Ų | 143 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -49.8 | 133.4 | -179.6 | -76.5 | -99.6 | 0 | 0 | 0 | 112.6 | N251 Y255 | N251-Y253 PolarHBondContact O-N 2.66Å; Y253-Y255 PolarHBondContact O-N 2.77Å |
| 254 | R | 52.8 | Low | 51.8 | Low | 229 Ų | 229 | 144.4 Ų | 144.4 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -79.8 | 92 | 160.1 | -76.8 | -171.8 | 176.4 | -170.2 | -1.4 | 109.2 | R252 T256 | R252-R254 PolarHBondContact O-N 2.73Å; R254-T256 PolarHBondContact O-N 3.37Å |
| 255 | Y | 51.3 | Low | 50.9 | Low | 212 Ų | 212 | 150.2 Ų | 150.2 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -72.7 | 88.4 | 154.1 | -77.4 | -79.8 | 0 | 0 | 0 | 108.6 | Y253 | Y253-Y255 PolarHBondContact O-N 2.77Š|
| 256 | T | 55.7 | Low | 50 | Low | 112 Ų | 112 | 148.8 Ų | 148.8 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | trans | -118.3 | 87.7 | 157.7 | 51.3 | 0 | 0 | 0 | 0 | 105.2 | R254 | R254-T256 PolarHBondContact O-N 3.37Š|
| 257 | S | 48.6 | Very low | 49.2 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 70.6 | 93.1 | 97.3 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | S259 | S257-S259 PolarHBondContact O-N 3.01Š|
| 258 | S | 43.1 | Very low | 48.5 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -63.3 | 128.2 | 174.9 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 259 | S | 47.8 | Very low | 48 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -148.3 | 129.2 | 168.6 | -50.6 | 0 | 0 | 0 | 0 | 109.6 | S257 | S257-S259 PolarHBondContact O-N 3.01Š|
| 260 | D | 42.5 | Very low | 47.3 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | 59 | 85.9 | 150.4 | -46.7 | -31 | 0 | 0 | 0 | 119.1 | | |
| 261 | L | 43 | Very low | 46.8 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -144.8 | 46.6 | 143.4 | -129.4 | 157.6 | 0 | 0 | 0 | 112.5 | Q263 | L261-Q263 PolarHBondContact O-N 3.11Š|
| 262 | L | 42.3 | Very low | 46.3 | Very low | 182 Ų | 182 | 159 Ų | 159 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | trans | -76.4 | 103.5 | 160.4 | -80.8 | 172.2 | 0 | 0 | 0 | 108.6 | | |
| 263 | Q | 41.6 | Very low | 45.8 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -95.9 | 131.9 | 167.2 | -158.9 | 156.7 | 32.5 | 0 | 0 | 109.2 | L261 | L261-Q263 PolarHBondContact O-N 3.11Š|
| 264 | S | 36.4 | Very low | 45.6 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -62.2 | 141.6 | -163.7 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 265 | N | 40.5 | Very low | 45.2 | Very low | 164 Ų | 164 | 147 Ų | 147 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | trans | -119.9 | 135.1 | 145.5 | -150.6 | 5.6 | 0 | 0 | 0 | 108.2 | | |
| 266 | T | 37.7 | Very low | 45 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | trans | -95.1 | 147.8 | -162.8 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 267 | N | 45.1 | Very low | 44.6 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -161.1 | 127.8 | 145.4 | -102 | -33.5 | 0 | 0 | 0 | 113.6 | | |
| 268 | N | 45.1 | Very low | 44.9 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | 69.2 | 114.8 | 145.1 | -61.2 | -25.7 | 0 | 0 | 0 | 123 | | |
| 269 | N | 48.6 | Very low | 44.9 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 78.1 | 86 | 127.1 | -64.9 | -23.1 | 0 | 0 | 0 | 121.7 | | |
| 270 | K | 48.8 | Very low | 45.1 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | | 172.1 | 149.5 | 91 | -89.7 | 152.7 | -175.6 | 173.6 | 0 | 113.9 | | |
| 271 | K | 46.8 | Very low | 45.7 | Very low | 194 Ų | 194 | 152.6 Ų | 152.6 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | 4.3 | 139.9 | 154.8 | -59.6 | 173.6 | -178.8 | 178.7 | 0 | 117.6 | | |
| 272 | K | 48.2 | Very low | 45.9 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | cis | -159.4 | 165 | 35.2 | -141.1 | 175.5 | -178.1 | -174.4 | 0 | 113.5 | | |
| 273 | T | 48.3 | Very low | 46.2 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | | | trans | -49.8 | 162.7 | 175 | 37.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 274 | F | 42.4 | Very low | 46.5 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | cis | -137.6 | -172.5 | 36.6 | -165 | -109.9 | 0 | 0 | 0 | 115.7 | | |
| 275 | V | 46 | Very low | 46.9 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | | | trans | -144.3 | 133.4 | -160.6 | 176.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 276 | H | 46.8 | Very low | 47 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | -172.2 | 151 | 158.1 | -93.4 | -68.8 | 0 | 0 | 0 | 106.9 | | |
| 277 | E | 47.5 | Very low | 47.7 | Very low | 117 Ų | 117 | 149 Ų | 149 | 55% | 0.547 | 77% | 0.767 | S | S | . | * | | | cis | 63.9 | 107.2 | -11 | -164.3 | 161.6 | 134.1 | 0 | 0 | 121.7 | R279 | E277-R279 VanDerWaalsContact CD-NH1 3.28Å; E277-R279 HydrophobicContact CG-CB 3.85Å; E277-R279 WeakPolarHBondContact OE1-CD 3.47Å; E277-R279 IonicContact OE1-CZ 2.73Å; E277-R279 IonicContact OE1-NE 3.98Å; E277-R279 IonicContact OE1-NH1 3.87Å; E277-R279 PolarHBondContact OE1-NH1 3.48Å; E277-R279 VanDerWaalsContact OE2-CD 3.32Å; E277-R279 WeakPolarHBondContact OE2-CD 3.42Å; E277-R279 IonicContact OE2-CZ 2.78Å; E277-R279 IonicContact OE2-NE 3.74Å; E277-R279 IonicContact OE2-NH1 3.56Å; E277-R279 PolarHBondContact OE2-NH1 3.35Å |
| 278 | I | 55.2 | Low | 47.7 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -129.3 | 145.1 | 132.2 | -78.8 | -178.1 | 0 | 0 | 0 | 107.7 | | |
| 279 | R | 41.5 | Very low | 47.5 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | -166 | 121.6 | -153.2 | 166.4 | -166 | -176.3 | -171.9 | 9.1 | 114.4 | E277 | E277-R279 VanDerWaalsContact CD-NH1 3.28Å; E277-R279 HydrophobicContact CG-CB 3.85Å; E277-R279 WeakPolarHBondContact OE1-CD 3.47Å; E277-R279 IonicContact OE1-CZ 2.73Å; E277-R279 IonicContact OE1-NE 3.98Å; E277-R279 IonicContact OE1-NH1 3.87Å; E277-R279 PolarHBondContact OE1-NH1 3.48Å; E277-R279 VanDerWaalsContact OE2-CD 3.32Å; E277-R279 WeakPolarHBondContact OE2-CD 3.42Å; E277-R279 IonicContact OE2-CZ 2.78Å; E277-R279 IonicContact OE2-NE 3.74Å; E277-R279 IonicContact OE2-NH1 3.56Å; E277-R279 PolarHBondContact OE2-NH1 3.35Å |
| 280 | T | 53.5 | Low | 47.2 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | -169.1 | 154.3 | 165.2 | 36.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 281 | K | 55 | Low | 46.9 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | cis | -172.8 | 138.2 | -24.3 | -111.6 | 172.6 | -168.6 | 168.6 | 0 | 107.3 | | |
| 282 | K | 45.8 | Very low | 47 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | 47.4 | 158.6 | 144.8 | -77.6 | -167.6 | 176.3 | -174.2 | 0 | 121.3 | | |
| 283 | S | 48.9 | Very low | 46.8 | Very low | 96 Ų | 96 | 148.5 Ų | 148.5 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | cis | 179 | 156.8 | -15.1 | 50.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 284 | S | 47.5 | Very low | 46.7 | Very low | 119 Ų | 119 | 155 Ų | 155 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | cis | -178.9 | 149.7 | -17.1 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 285 | G | 45.8 | Very low | 46.9 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -139.7 | 150 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 286 | Q | 43.2 | Very low | 46.8 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | -105.8 | 150.3 | -167.9 | -64 | 179.7 | -11.1 | 0 | 0 | 114.3 | | |
| 287 | T | 50.8 | Low | 46.9 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | | | trans | -163.5 | 151 | 133.4 | 7.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 288 | N | 45.5 | Very low | 47 | Very low | 151 Ų | 151 | 158.8 Ų | 158.8 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | | | trans | -107.4 | 171.1 | 178.7 | -82.3 | -57.1 | 0 | 0 | 0 | 109.9 | | |
| 289 | S | 41.3 | Very low | 46.3 | Very low | 95 Ų | 95 | 157.7 Ų | 157.7 | 66% | 0.664 | 82% | 0.819 | S | S | * | * | | | cis | -174.4 | 172.9 | -28.2 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 290 | R | 42.4 | Very low | 46.8 | Very low | 235 Ų | 235 | 158.7 Ų | 158.7 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | | | trans | 65.6 | 114.8 | 164.7 | -74.2 | 179 | 173.9 | -179.5 | -2.4 | 121 | | |
| 291 | R | 43.2 | Very low | 46.4 | Very low | 250 Ų | 250 | 159.5 Ų | 159.5 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -32.3 | 149.6 | 152 | -70.1 | 172.7 | 166.2 | 175.5 | -4.4 | 115.3 | | |
| 292 | S | 48.2 | Very low | 46.1 | Very low | 126 Ų | 126 | 156.9 Ų | 156.9 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | | | trans | -125.5 | 144.4 | 152.3 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 293 | S | 43.9 | Very low | 45.9 | Very low | 116 Ų | 116 | 155.4 Ų | 155.4 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -120.6 | 119.1 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 294 | R | 46.7 | Very low | 46.1 | Very low | 256 Ų | 256 | 155.4 Ų | 155.4 | 97% | 0.966 | 84% | 0.839 | S | S | * | * | | | trans | -91.3 | 125.9 | -166.4 | -166.2 | 177.9 | -171.6 | 177.2 | 3.7 | 112.8 | | |
| 295 | S | 46.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 155.8 Ų | 155.8 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | | | trans | -99.9 | 177.3 | 173.1 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 296 | K | 43.7 | Very low | 46.1 | Very low | 198 Ų | 198 | 159.7 Ų | 159.7 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | | | trans | -76 | 149.1 | -166 | -60.5 | 173.5 | -178.2 | 173.8 | 0 | 113.7 | | |
| 297 | P | 48.7 | Very low | 46.2 | Very low | 124 Ų | 124 | 158.2 Ų | 158.2 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | | | trans | -78.8 | 163.2 | 166.3 | 34.8 | -35.2 | 0 | 0 | 0 | 112.7 | | |
| 298 | K | 49.3 | Very low | 45.6 | Very low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | | | trans | -126.8 | 154.1 | 160.3 | -86.8 | -173.7 | 172.4 | -175.9 | 0 | 108.4 | | |
| 299 | N | 41.6 | Very low | 45.6 | Very low | 144 Ų | 144 | 158.4 Ų | 158.4 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | | | trans | -66.9 | 153.8 | 176.1 | -70.2 | 9.9 | 0 | 0 | 0 | 112.3 | | |
| 300 | F | 51.4 | Low | 45.7 | Very low | 201 Ų | 201 | 161 Ų | 161 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | | | trans | -125.1 | 137.7 | 146.9 | -96.4 | -92.3 | 0 | 0 | 0 | 107.1 | | |
| 301 | D | 44.6 | Very low | 45.6 | Very low | 138 Ų | 138 | 158 Ų | 158 | 74% | 0.738 | 82% | 0.823 | S | S | * | * | | | trans | -87.8 | 146.9 | 171 | -62.8 | -62.9 | 0 | 0 | 0 | 109.8 | | |
| 302 | C | 49.3 | Very low | 45.7 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | | | trans | -130.6 | 112.6 | 172.1 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 303 | N | 40.9 | Very low | 45.1 | Very low | 165 Ų | 165 | 150.4 Ų | 150.4 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | | | trans | -115.8 | 125.3 | 168.6 | -74.6 | -46.6 | 0 | 0 | 0 | 108.3 | | |
| 304 | A | 54.1 | Low | 45 | Very low | 96 Ų | 96 | 151.2 Ų | 151.2 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | trans | -145.2 | 134.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 305 | P | 49.7 | Very low | 44.7 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | | | trans | -97.1 | 137 | 179.4 | 35.2 | -30.3 | 0 | 0 | 0 | 111.8 | | |
| 306 | D | 42.8 | Very low | 44.5 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -106 | 139 | 163.5 | -71.6 | -52.3 | 0 | 0 | 0 | 109.6 | | |
| 307 | N | 45.3 | Very low | 44.4 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -156.1 | 129.9 | 162.8 | -94.6 | -10.1 | 0 | 0 | 0 | 107.6 | | |
| 308 | D | 39 | Very low | 44.1 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | trans | 41.6 | 122.1 | 153.3 | -44.9 | -40.2 | 0 | 0 | 0 | 119 | | |
| 309 | F | 44.6 | Very low | 44.1 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | | -168.9 | 151.6 | 71 | -95.7 | -73.5 | 0 | 0 | 0 | 114.6 | | |
| 310 | H | 43.1 | Very low | 44.5 | Very low | 149 Ų | 149 | 139 Ų | 139 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | trans | 38.6 | 123.1 | 157 | -64 | -54.4 | 0 | 0 | 0 | 123.3 | | |
| 311 | H | 41.1 | Very low | 44.2 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | | 24.5 | 149.4 | 119 | -69.4 | -86.2 | 0 | 0 | 0 | 121 | | |
| 312 | P | 44.7 | Very low | 44 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | cis | -139.8 | -174.7 | 30.2 | 43.3 | -25.4 | 0 | 0 | 0 | 117 | | |
| 313 | S | 36.8 | Very low | 43.7 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | -104.2 | 166.4 | 158.6 | 67.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 314 | I | 40.7 | Very low | 43.5 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | cis | -167.9 | 140.3 | 48.3 | -127.8 | 157.4 | 0 | 0 | 0 | 107.9 | | |
| 315 | F | 41 | Very low | 43 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | 60.5 | 159.8 | 160.5 | -69 | -133.1 | 0 | 0 | 0 | 117.2 | | |
| 316 | T | 42.7 | Very low | 42.7 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | | | cis | -136 | 151.3 | 11.7 | 35.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 317 | N | 42 | Very low | 42.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | 39.1 | 116.1 | 138.7 | -55.3 | -12.3 | 0 | 0 | 0 | 123.3 | | |
| 318 | S | 41.7 | Very low | 42.2 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | | 84.2 | 151.4 | 126.6 | -60.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 319 | P | 48.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | -132.6 | -149.8 | -142.5 | 46.6 | -25.8 | 0 | 0 | 0 | 113.2 | | |
| 320 | P | 49.3 | Very low | 42.2 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | | | | -124.7 | 169.4 | -116.5 | 34 | -12.2 | 0 | 0 | 0 | 115.9 | | |
| 321 | V | 45.1 | Very low | 41.9 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | | | trans | -140.6 | 153.9 | 168.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 322 | D | 41.2 | Very low | 41.9 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -70.6 | -169.3 | -164 | -57.8 | -84.6 | 0 | 0 | 0 | 119.2 | | |
| 323 | A | 42.2 | Very low | 41.7 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | | | trans | 83.3 | 103 | 163 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 324 | S | 38.1 | Very low | 41.9 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | | 68.6 | 127.7 | 78 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 325 | L | 43.3 | Very low | 42.1 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 179.6 | 163.8 | 74 | -97.3 | 167.9 | 0 | 0 | 0 | 111.1 | | |
| 326 | I | 43.6 | Very low | 42.2 | Very low | 153 Ų | 153 | 120.8 Ų | 120.8 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 66.6 | 151.7 | 146.3 | -73.1 | 163.2 | 0 | 0 | 0 | 118.2 | | |
| 327 | S | 38.6 | Very low | 42.2 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -173.2 | -167.3 | -30.5 | -165.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 328 | S | 39.3 | Very low | 42.6 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | 74.9 | 110.4 | 174.5 | -158 | 0 | 0 | 0 | 0 | 115.3 | | |
| 329 | T | 40.4 | Very low | 42.7 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | 76.2 | 117.1 | 42 | 76.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 330 | H | 43.3 | Very low | 42.2 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | | -165.2 | 158.9 | 123.9 | -104.9 | -70.2 | 0 | 0 | 0 | 110.7 | | |
| 331 | S | 36.4 | Very low | 42 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -144 | 139.8 | -171.2 | -46.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 332 | V | 41.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | | | trans | -142.5 | 154.5 | 166.8 | -174 | 0 | 0 | 0 | 0 | 109.6 | | |
| 333 | S | 40.2 | Very low | 41.8 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -120.3 | 173.4 | -162.7 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 334 | G | 41.2 | Very low | 41.8 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | trans | 163.2 | 89.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 335 | S | 44.9 | Very low | 41.9 | Very low | 125 Ų | 125 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | 66.6 | 167.5 | 150.6 | 84.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 336 | S | 42.4 | Very low | 41.8 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -154.1 | 128 | -0.4 | -154.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 337 | V | 43.3 | Very low | 41.5 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | 17.6 | 127.6 | 147.7 | -157.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 338 | K | 49.7 | Very low | 41.6 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | | 160.4 | 117.7 | 126.9 | -86.7 | 170.7 | -173.4 | 177.5 | 0 | 111.3 | | |
| 339 | N | 42.7 | Very low | 41.6 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 81% | 0.81 | S | S | * | * | | | | 58.3 | 134.6 | 82.2 | -100.6 | -2.7 | 0 | 0 | 0 | 115.5 | | |
| 340 | S | 39.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | cis | -155.2 | 176.6 | 16.4 | -83.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 341 | Q | 44.3 | Very low | 41.3 | Very low | 182 Ų | 182 | 145.1 Ų | 145.1 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -44.8 | 175 | 174.3 | -50.7 | -179.3 | 7.2 | 0 | 0 | 117.4 | | |
| 342 | S | 39.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | cis | -164.5 | -171.6 | 35.8 | -158.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 343 | K | 43 | Very low | 41.2 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | trans | -115.5 | 161.8 | -168.1 | -53 | 164.6 | 178.6 | 170.3 | 0 | 113.5 | | |
| 344 | R | 42.8 | Very low | 41 | Very low | 247 Ų | 247 | 151.2 Ų | 151.2 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | | -174.6 | 161.1 | 124.1 | -104.9 | 163.6 | -176.1 | 163.5 | 2.5 | 115.6 | | |
| 345 | N | 38.8 | Very low | 40.6 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -128.4 | 150.7 | 179 | -70.9 | -28.2 | 0 | 0 | 0 | 110.8 | | |
| 346 | R | 41.3 | Very low | 40.4 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | 165 | 138.5 | 146 | -92.5 | 160.5 | -176.1 | -168.4 | 0.2 | 107.6 | | |
| 347 | S | 36.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | cis | 84.7 | 104.9 | 23.9 | -160.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 348 | T | 41.7 | Very low | 40.2 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -153.4 | 172.8 | 174.8 | 2.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 349 | K | 39.6 | Very low | 39.9 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | -160.5 | 156.5 | -166.7 | -167.3 | -167.7 | 167.1 | -168.1 | 0 | 112.1 | | |
| 350 | L | 39.2 | Very low | 40.1 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | | | trans | 72.8 | 159.5 | 170.7 | -68.1 | 129.9 | 0 | 0 | 0 | 115.3 | | |
| 351 | S | 36.8 | Very low | 40.2 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | cis | -151.5 | 155.3 | 3.3 | 16.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 352 | Y | 35.5 | Very low | 39.9 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -12.4 | 143.2 | 148.2 | -78.2 | -102.8 | 0 | 0 | 0 | 119.8 | | |
| 353 | L | 40.5 | Very low | 40.1 | Very low | 143 Ų | 143 | 154 Ų | 154 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | | -175.7 | 127.7 | 112.6 | -89.7 | 164.8 | 0 | 0 | 0 | 107.3 | | |
| 354 | Q | 36.5 | Very low | 39.9 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | | 65.3 | 96.2 | 88 | -164 | 171.2 | -26.3 | 0 | 0 | 111.6 | | |
| 355 | S | 34.3 | Very low | 39.7 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 86.5 | 156.3 | 80.2 | -62.1 | 0 | 0 | 0 | 0 | 113 | | |
| 356 | D | 39.5 | Very low | 39.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | 92.3 | 138.2 | -176.1 | -51.3 | -18.1 | 0 | 0 | 0 | 114 | | |
| 357 | G | 37.9 | Very low | 39.4 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | cis | 130 | 92 | -3.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 358 | N | 44.3 | Very low | 39.3 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -172.4 | 135.7 | 162.7 | -89.5 | -40.7 | 0 | 0 | 0 | 105.9 | | |
| 359 | N | 42.9 | Very low | 39.3 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | cis | 111.5 | 150.4 | 32.5 | -81.7 | -25.1 | 0 | 0 | 0 | 109.5 | | |
| 360 | E | 47.4 | Very low | 39.1 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | trans | 78.6 | 141.5 | -171.6 | -57.2 | -162.2 | 136.4 | 0 | 0 | 117 | | |
| 361 | S | 40.4 | Very low | 39 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -158.8 | 179.8 | -25.9 | -160.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 362 | M | 39.1 | Very low | 39.3 | Very low | 153 Ų | 153 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | trans | -54.5 | 146.8 | 173.7 | -62.4 | 167.8 | -76.4 | 0 | 0 | 111.6 | | |
| 363 | I | 42.9 | Very low | 39.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | | | | -163 | 114.8 | 85.7 | -83.8 | 149.6 | 0 | 0 | 0 | 106.8 | | |
| 364 | V | 39.4 | Very low | 39.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | 50 | 91.9 | 88.5 | -173.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 365 | C | 37.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | | -166.1 | 153.5 | 129.8 | -114.5 | 0 | 0 | 0 | 0 | 112 | | |
| 366 | S | 36 | Very low | 40.1 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -98.7 | 170.7 | -172.8 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 367 | P | 39.8 | Very low | 40.2 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -85.6 | 161.2 | -160.3 | 35.1 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 368 | S | 32.9 | Very low | 40.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -139.8 | 142 | 162.8 | -73 | 0 | 0 | 0 | 0 | 110.7 | | |
| 369 | P | 43 | Very low | 40.4 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | trans | -82.2 | -152.8 | 169 | 37.4 | -36.1 | 0 | 0 | 0 | 110.5 | | |
| 370 | I | 35.6 | Very low | 40.4 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | 93.7 | 138.8 | -179.9 | -56.9 | 163 | 0 | 0 | 0 | 113.2 | | |
| 371 | Q | 35.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | cis | -159.7 | 160.7 | -27.1 | -105.2 | -175.7 | 0.3 | 0 | 0 | 107.6 | | |
| 372 | P | 44.9 | Very low | 39.7 | Very low | 125 Ų | 125 | 145 Ų | 145 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -78.7 | 156.5 | 166.8 | 34.5 | -34.7 | 0 | 0 | 0 | 112.5 | | |
| 373 | R | 41.1 | Very low | 39.6 | Very low | 220 Ų | 220 | 142.3 Ų | 142.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -155.6 | 138.3 | -178.4 | -169.8 | 172.9 | 179.8 | 171.1 | 3.5 | 107.1 | | |
| 374 | E | 41.1 | Very low | 39.6 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 52% | 0.519 | 76% | 0.761 | S | S | . | * | | | cis | -145.6 | 164.8 | 5.2 | -135.1 | 172.7 | -117.3 | 0 | 0 | 105.8 | | |
| 375 | R | 38.3 | Very low | 39.6 | Very low | 193 Ų | 193 | 143.7 Ų | 143.7 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | cis | -153.6 | 161.1 | 24.9 | -99.4 | 177.6 | -165.1 | -178.1 | 3.6 | 110.8 | | |
| 376 | L | 42.8 | Very low | 39.6 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | | | trans | 42.4 | 138.2 | 136.9 | -53.4 | 169.9 | 0 | 0 | 0 | 119.8 | | |
| 377 | K | 41.3 | Very low | 39.7 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | | | cis | -159.4 | 116.8 | 14.1 | -153.5 | 163.3 | -179.4 | 179.4 | 0 | 106.8 | | |
| 378 | E | 41.4 | Very low | 39.7 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | | 85.9 | 137 | 67.5 | -172.9 | -175.5 | -112.9 | 0 | 0 | 113.8 | | |
| 379 | K | 44.9 | Very low | 40.2 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | | | trans | 93.7 | 110.4 | -173.5 | -61.7 | -168 | 174.4 | -169.6 | 0 | 115.4 | | |
| 380 | S | 42.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | | 81.5 | 138 | 50.8 | 76 | 0 | 0 | 0 | 0 | 112.7 | | |
| 381 | E | 36.4 | Very low | 40 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | cis | -175.6 | -176.9 | -19.8 | -129.6 | 171.7 | 176.1 | 0 | 0 | 106.8 | | |
| 382 | C | 37 | Very low | 40.1 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | 67 | 142.5 | -175.9 | -70.9 | 0 | 0 | 0 | 0 | 115 | | |
| 383 | S | 36.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 149.3 Ų | 149.3 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | cis | 110.8 | 154.8 | 19.8 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 384 | M | 42.8 | Very low | 39.7 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | 67.9 | 147.2 | -168.2 | -36.6 | -55.3 | -84.3 | 0 | 0 | 113 | | |
| 385 | E | 40.3 | Very low | 39.7 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | cis | 169.5 | 138 | -25.3 | 173.5 | 164.3 | 175.4 | 0 | 0 | 103.5 | | |
| 386 | S | 37.1 | Very low | 39.8 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -86.1 | 130.6 | -171.6 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 387 | N | 39.5 | Very low | 39.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | trans | -137.5 | 116.6 | 159 | -82.5 | -69 | 0 | 0 | 0 | 109.7 | | |
| 388 | D | 38.8 | Very low | 39.2 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | trans | -78.3 | 118.9 | 165.8 | -65.1 | -61.6 | 0 | 0 | 0 | 108.7 | | |
| 389 | I | 42.7 | Very low | 39 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -130.1 | 113.7 | 161.6 | -62.6 | -175.8 | 0 | 0 | 0 | 108.6 | | |
| 390 | E | 36.2 | Very low | 38.8 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -74.1 | 127.6 | 170.5 | 176 | 177.7 | -126.8 | 0 | 0 | 109.8 | | |
| 391 | C | 39.5 | Very low | 38.5 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | -157.6 | 135 | 165.3 | -163.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 392 | E | 37.2 | Very low | 38.7 | Very low | 195 Ų | 195 | 145.9 Ų | 145.9 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -71.6 | 152.1 | 172.6 | -62.5 | -171.2 | 125 | 0 | 0 | 111.7 | | |
| 393 | G | 39.3 | Very low | 38.7 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -159.2 | 95.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 394 | I | 37.9 | Very low | 38.9 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 82% | 0.821 | 80% | 0.798 | S | S | * | * | | | trans | -73.2 | 138.2 | 173.6 | -57.4 | 163.5 | 0 | 0 | 0 | 109.1 | | |
| 395 | I | 42.6 | Very low | 38.7 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 80% | 0.795 | 80% | 0.799 | S | S | * | * | | | trans | 177.7 | 122.6 | 134.7 | -90.6 | 152.6 | 0 | 0 | 0 | 113.9 | | |
| 396 | Q | 39.2 | Very low | 38.4 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | 1.3 | 126 | 152.8 | -54.1 | 173.8 | 1.2 | 0 | 0 | 122.5 | | |
| 397 | N | 35.3 | Very low | 38.8 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | 30.6 | 119.6 | 123.7 | -55.5 | -12.7 | 0 | 0 | 0 | 121.4 | | |
| 398 | K | 37.1 | Very low | 38.4 | Very low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | | -172.6 | 119.9 | 108.3 | -106.4 | 177.1 | 178.9 | 178.4 | 0 | 116.7 | | |
| 399 | T | 37 | Very low | 38.5 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | trans | 5.8 | 122 | 142.2 | 55.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 400 | S | 39.7 | Very low | 38.3 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | | -173.9 | 114.9 | 116.9 | 39.7 | 0 | 0 | 0 | 0 | 109 | | |
| 401 | D | 36.6 | Very low | 38.4 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | | 72.8 | 102.8 | 80.7 | -73.8 | -40.5 | 0 | 0 | 0 | 115.2 | | |
| 402 | L | 41.6 | Very low | 38.2 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | | -164.5 | 164.8 | 119.6 | -102.8 | 167.4 | 0 | 0 | 0 | 110.9 | | |
| 403 | S | 36.7 | Very low | 38.2 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | -128.2 | -172.2 | -145.9 | 49.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 404 | E | 39.5 | Very low | 38.2 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | trans | 81.8 | 135.1 | 162.7 | -68.3 | 178.9 | -136.6 | 0 | 0 | 118.1 | | |
| 405 | L | 38.8 | Very low | 38.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | cis | -135.9 | 154.5 | -1.5 | -76.8 | 105.8 | 0 | 0 | 0 | 112.9 | | |
| 406 | C | 34.9 | Very low | 37.9 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -121.8 | -152.4 | 163.7 | -56.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 407 | P | 45.1 | Very low | 37.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | cis | -134 | -172.6 | -22.2 | 38.3 | -19.1 | 0 | 0 | 0 | 114.3 | | |
| 408 | F | 31.8 | Very low | 37.8 | Very low | 213 Ų | 213 | 140.3 Ų | 140.3 | 93% | 0.934 | 78% | 0.776 | S | S | * | * | | | trans | -101.1 | 151.3 | 153.2 | -79.5 | -99.5 | 0 | 0 | 0 | 109.7 | | |
| 409 | P | 40.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -118.6 | 149.3 | 173.3 | 38.7 | -28.8 | 0 | 0 | 0 | 115.1 | | |
| 410 | L | 38.6 | Very low | 37.8 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -150.9 | 136.3 | 158.7 | -87.1 | 174.2 | 0 | 0 | 0 | 111.1 | | |
| 411 | D | 36.7 | Very low | 37.7 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | 66.8 | 125.3 | 143.7 | -51.4 | -13.7 | 0 | 0 | 0 | 125.3 | | |
| 412 | D | 37.2 | Very low | 37.7 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | | 90.6 | 102.5 | 127.6 | -70.9 | -5 | 0 | 0 | 0 | 127.9 | | |
| 413 | T | 36.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | | 77.9 | 124.1 | 123.9 | 61.4 | 0 | 0 | 0 | 0 | 126 | | |
| 414 | L | 39.4 | Very low | 37.3 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | | | trans | 60.2 | 126.5 | 130.1 | -61.8 | 170.8 | 0 | 0 | 0 | 123.3 | | |
| 415 | N | 37.6 | Very low | 37.1 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | | -179.5 | 144.6 | 103.8 | -98.7 | -46.8 | 0 | 0 | 0 | 117.5 | | |
| 416 | N | 36.1 | Very low | 37.2 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | 43.9 | 127 | 145.4 | -59.9 | -23.6 | 0 | 0 | 0 | 124.9 | | |
| 417 | S | 36.4 | Very low | 37.7 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | | -177.7 | 168.9 | 105.7 | 38.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 418 | I | 36.8 | Very low | 37.4 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | trans | -129 | 158.1 | -172 | -27.2 | 176 | 0 | 0 | 0 | 109.8 | | |
| 419 | P | 38 | Very low | 37.7 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | | -156.1 | 135.8 | 105.1 | 37.3 | -17.3 | 0 | 0 | 0 | 119.4 | | |
| 420 | S | 35.4 | Very low | 37.8 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 39.2 | 140.7 | 137.6 | 66.8 | 0 | 0 | 0 | 0 | 127.1 | | |
| 421 | S | 38.2 | Very low | 37.8 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 74% | 0.741 | S | S | * | * | | | trans | 84.6 | 143.5 | 146.8 | 79.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 422 | G | 37.1 | Very low | 37.9 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | cis | 164.7 | 153.9 | -15 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 423 | K | 35.5 | Very low | 38 | Very low | 213 Ų | 213 | 128.4 Ų | 128.4 | 93% | 0.926 | 73% | 0.732 | S | S | * | * | | | trans | 70 | 152.6 | 171.1 | -63.6 | 177.2 | -178.9 | 175.6 | 0 | 116.5 | | |
| 424 | S | 33.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | cis | -173.5 | 168.1 | -14.3 | 46.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 425 | F | 35.3 | Very low | 38.2 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | | | trans | 109.8 | 135.7 | 161 | -74.1 | -80.4 | 0 | 0 | 0 | 121.2 | | |
| 426 | Y | 40 | Very low | 38.1 | Very low | 213 Ų | 213 | 130.8 Ų | 130.8 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | | | trans | -133.8 | 179.3 | 174.3 | -105.4 | -73.4 | 0 | 0 | 0 | 106.2 | | |
| 427 | P | 46.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | | | cis | -131.2 | 178.2 | 38.1 | 16.6 | 12.5 | 0 | 0 | 0 | 114.5 | | |
| 428 | A | 38.5 | Very low | 38.2 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | | | cis | 73.5 | 149.2 | 44 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 429 | D | 37.1 | Very low | 38.1 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | cis | -155.4 | -157.2 | 11.6 | -136.6 | -42.8 | 0 | 0 | 0 | 108.8 | | |
| 430 | L | 42.8 | Very low | 38 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | | | cis | -169.7 | 176.1 | 6.2 | -131.9 | -176.2 | 0 | 0 | 0 | 111.3 | | |
| 431 | E | 40 | Very low | 37.9 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 42% | 0.421 | 72% | 0.718 | S | S | . | * | | | trans | 74.8 | 151.2 | 151.1 | -77.3 | -154.2 | -132.5 | 0 | 0 | 123.1 | K1122 | E431-K1122 WeakPolarHBondContact OE2-CE 3.47Å; E431-K1122 IonicContact OE2-NZ 2.66Å; E431-K1122 PolarHBondContact OE2-NZ 2.89Å |
| 432 | N | 39.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | | | cis | -171.4 | -175.5 | -18.9 | -124.5 | -26.4 | 0 | 0 | 0 | 108.2 | | |
| 433 | S | 37.8 | Very low | 37.6 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | | | cis | -161.8 | -154.5 | -12 | 42.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 434 | E | 39.5 | Very low | 37.6 | Very low | 145 Ų | 145 | 125 Ų | 125 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | | | cis | -171.9 | -174.1 | 3.2 | -140.5 | 155.8 | 103.5 | 0 | 0 | 112.6 | | |
| 435 | F | 41.1 | Very low | 37.8 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 79% | 0.789 | 70% | 0.702 | S | S | * | * | | | trans | 82.4 | 163.2 | 163 | -89.4 | -81 | 0 | 0 | 0 | 125.1 | | |
| 436 | T | 36.2 | Very low | 37.8 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.613 | 69% | 0.693 | S | S | * | * | | | trans | -146.3 | -176.9 | -137.2 | 49 | 0 | 0 | 0 | 0 | 118.6 | | |
| 437 | D | 37.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | | | trans | 85.1 | 153.1 | 151.8 | -64.8 | -51.8 | 0 | 0 | 0 | 122.2 | | |
| 438 | S | 36 | Very low | 37.5 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | | | cis | -172.5 | 171.6 | -21.2 | 58.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 439 | V | 35.2 | Very low | 37.5 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | trans | 64.4 | 150 | 156.2 | -112 | 0 | 0 | 0 | 0 | 127.2 | | |
| 440 | C | 34.9 | Very low | 37.5 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | | | trans | 81.9 | 148.3 | 143.9 | -79 | 0 | 0 | 0 | 0 | 122.4 | | |
| 441 | C | 33.7 | Very low | 37.1 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 69% | 0.689 | 67% | 0.665 | S | S | * | * | | | cis | -176 | 158.7 | -29.3 | -122.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 442 | L | 33.7 | Very low | 36.9 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 68% | 0.683 | S | S | * | * | | | trans | 66.4 | 157.8 | 154.7 | -62.2 | 165.3 | 0 | 0 | 0 | 118 | | |
| 443 | S | 35.7 | Very low | 36.5 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | | | cis | -160.2 | 159.4 | -0.7 | -130.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 444 | D | 34.9 | Very low | 36.4 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 60% | 0.599 | 70% | 0.698 | S | S | * | * | | | trans | 71.1 | 136.6 | 139.1 | -85.7 | -89.2 | 0 | 0 | 0 | 125.7 | | |
| 445 | R | 38.5 | Very low | 36.2 | Very low | 206 Ų | 206 | 130.7 Ų | 130.7 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | | | trans | 71.9 | 149 | 140.1 | -71.3 | 166.1 | -167.2 | -144.6 | -4 | 118.9 | | |
| 446 | N | 35.2 | Very low | 36.3 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | | | cis | -170.4 | 165.4 | -11.4 | -114.9 | 7.9 | 0 | 0 | 0 | 106.4 | | |
| 447 | R | 38.3 | Very low | 36.2 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | | | cis | -173.6 | 163.8 | -19.9 | -131.9 | -178.9 | 111.3 | 170.1 | 3.1 | 106.4 | | |
| 448 | D | 40.8 | Very low | 36.2 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | | | trans | 62.4 | 147.2 | 151.9 | -55 | -19 | 0 | 0 | 0 | 117.4 | | |
| 449 | D | 38.7 | Very low | 36.3 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 53% | 0.529 | 72% | 0.717 | S | S | . | * | | | cis | -161.5 | 160.4 | -9.5 | -127.9 | -26.8 | 0 | 0 | 0 | 112.4 | | |
| 450 | R | 37.3 | Very low | 36.3 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | | | trans | 64 | 150.8 | 145.8 | -71.2 | 167.5 | -141.4 | -141.1 | 2.6 | 121 | | |
| 451 | S | 34.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 130.5 Ų | 130.5 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | | | cis | -174.9 | 163.9 | -16 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 452 | L | 36.5 | Very low | 37 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | | | trans | 72.7 | 124.2 | 165.3 | -44 | -177.4 | 0 | 0 | 0 | 115 | | |
| 453 | S | 29.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | | | cis | 79 | 113.6 | 18.5 | 93.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 454 | L | 35.5 | Very low | 37.2 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | | | | 179.5 | 144.2 | 110.8 | -94.5 | 163.4 | 0 | 0 | 0 | 112.4 | | |
| 455 | S | 35 | Very low | 37.6 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | trans | -89.7 | 156.3 | 171.9 | -42.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 456 | P | 44.1 | Very low | 37.3 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | | -150.1 | -178.3 | 110 | 35.2 | -17.3 | 0 | 0 | 0 | 113.6 | | |
| 457 | A | 33.6 | Very low | 37.2 | Very low | 80 Ų | 80 | 126 Ų | 126 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | | | cis | -175.5 | 151.8 | -39.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 458 | Y | 37.2 | Very low | 37.1 | Very low | 218 Ų | 218 | 124 Ų | 124 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | | | trans | 67 | 155.1 | 162.3 | -74.4 | -149.5 | 0 | 0 | 0 | 115.6 | | |
| 459 | N | 39.2 | Very low | 36.8 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | cis | -140.5 | 164.8 | 6.1 | -116.1 | -28.3 | 0 | 0 | 0 | 111.2 | | |
| 460 | G | 34.8 | Very low | 36.5 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | trans | -87 | -147.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 461 | P | 45.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | cis | -143.2 | 163.5 | 9.9 | 43.2 | -25.4 | 0 | 0 | 0 | 118.4 | | |
| 462 | L | 38.4 | Very low | 36.3 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 83% | 0.827 | 75% | 0.745 | S | S | * | * | | | trans | 58.6 | 158.1 | 145.4 | -65.2 | 165.5 | 0 | 0 | 0 | 119.4 | | |
| 463 | V | 39.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 124 Ų | 124 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | cis | -130.8 | 150.9 | 15.3 | 179 | 0 | 0 | 0 | 0 | 111 | | |
| 464 | S | 34.6 | Very low | 36.3 | Very low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | trans | -88.8 | 172.1 | -179.5 | -47.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 465 | P | 42.7 | Very low | 36.2 | Very low | 124 Ų | 124 | 123.1 Ų | 123.1 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | | -130.1 | 143.3 | 93.8 | 35.9 | -27.7 | 0 | 0 | 0 | 112.5 | | |
| 466 | S | 31.9 | Very low | 36.1 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | cis | 66 | 125.3 | 19 | 83.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 467 | S | 33.3 | Very low | 35.5 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | cis | -179.1 | 166.6 | -2.2 | 43 | 0 | 0 | 0 | 0 | 110.8 | | |
| 468 | V | 36.8 | Very low | 35.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | 70.8 | 133.8 | 167.1 | -164.3 | 0 | 0 | 0 | 0 | 115 | | |
| 469 | G | 33.7 | Very low | 35 | Very low | 61 Ų | 61 | 127.1 Ų | 127.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | 166 | 176.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 470 | D | 32.5 | Very low | 34.8 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 33.8 | 135.5 | 149 | -68 | -47.1 | 0 | 0 | 0 | 122.3 | | |
| 471 | S | 36.3 | Very low | 34.6 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | cis | -171.1 | 156.3 | -2.3 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 472 | N | 32.6 | Very low | 34.2 | Very low | 138 Ų | 138 | 135.4 Ų | 135.4 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | 59 | 138 | 140.3 | -69.2 | -36.8 | 0 | 0 | 0 | 122.5 | | |
| 473 | K | 36.3 | Very low | 33.7 | Very low | 212 Ų | 212 | 136.1 Ų | 136.1 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | | | trans | 75.8 | 123.2 | 165.3 | -50.5 | 167.1 | -166.8 | 175.7 | 0 | 115.7 | | |
| 474 | G | 29.5 | Very low | 33.5 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | 129 | 78.6 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 475 | L | 33.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -138.9 | 114 | 162.8 | -66 | 173.5 | 0 | 0 | 0 | 105.9 | | |
| 476 | K | 31.8 | Very low | 32.9 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | | 63.4 | 123.7 | 64.2 | -87.9 | -164.9 | 173.1 | -175.1 | 0 | 115.6 | | |
| 477 | L | 32.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -40.5 | 149.7 | -178.5 | -76.9 | 57.2 | 0 | 0 | 0 | 116 | | |
| 478 | C | 29.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -141.7 | 41 | 160.7 | -88.5 | 0 | 0 | 0 | 0 | 112.1 | K480 | C478-K480 PolarHBondContact O-N 3.42Š|
| 479 | D | 32 | Very low | 32.6 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -70.2 | 115.8 | 166.7 | -80.2 | -51.5 | 0 | 0 | 0 | 109.9 | T481 | D479-T481 PolarHBondContact O-N 3.46Š|
| 480 | K | 34.9 | Very low | 32.4 | Very low | 194 Ų | 194 | 149.6 Ų | 149.6 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -88.9 | 89.7 | -175.9 | -65.8 | -178.8 | 179.5 | -178.1 | 0 | 110.6 | C478 L482 | C478-K480 PolarHBondContact O-N 3.42Å; K480-L482 PolarHBondContact O-N 3.16Å |
| 481 | T | 29.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -61.9 | 116.2 | 158.3 | 40.6 | 0 | 0 | 0 | 0 | 109.1 | D479 | D479-T481 PolarHBondContact O-N 3.46Š|
| 482 | L | 36.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -104.7 | 134.1 | 165.9 | -108.5 | 169.3 | 0 | 0 | 0 | 109.2 | K480 | K480-L482 PolarHBondContact O-N 3.16Š|
| 483 | E | 28.8 | Very low | 32.6 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | | | trans | -63.1 | 148.7 | -176.4 | -58.8 | -92.8 | 101.9 | 0 | 0 | 111.9 | | |
| 484 | S | 34.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -155.1 | 76.5 | 163.6 | -75.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 485 | E | 35.8 | Very low | 32.8 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | 27.1 | 117.4 | 157.5 | -56 | -164.5 | 127.8 | 0 | 0 | 120.9 | L487 | E485-L487 PolarHBondContact O-N 3.31Š|
| 486 | E | 30.1 | Very low | 33 | Very low | 171 Ų | 171 | 153.8 Ų | 153.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | -67 | 100.6 | 158 | -178.8 | -168.3 | 156.3 | 0 | 0 | 110.3 | | |
| 487 | L | 34.8 | Very low | 33.2 | Very low | 143 Ų | 143 | 150 Ų | 150 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -104.1 | 133.4 | 173.4 | -93.6 | 172.7 | 0 | 0 | 0 | 113.6 | E485 L489 | E485-L487 PolarHBondContact O-N 3.31Å; L487-L489 HydrophobicContact CD2-CD1 4.37Å |
| 488 | K | 29.1 | Very low | 33.6 | Very low | 168 Ų | 168 | 149.4 Ų | 149.4 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | -142.5 | 76.5 | -157.7 | -179.5 | -174.6 | 176.6 | 175.6 | 0 | 111.4 | | |
| 489 | L | 31.5 | Very low | 34 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | trans | -139.4 | 132.8 | 171.7 | -78.6 | 100.5 | 0 | 0 | 0 | 107.8 | L487 | L487-L489 HydrophobicContact CD2-CD1 4.37Š|
| 490 | T | 28.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | | | | 55.6 | 90 | 56.7 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 491 | D | 31.1 | Very low | 34.4 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | | -164.7 | 169 | 82.2 | -102.8 | -29.8 | 0 | 0 | 0 | 114.5 | | |
| 492 | S | 34.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -130.4 | 102.6 | 174.6 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 493 | P | 39.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 158 Ų | 158 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | | | trans | -97.8 | 149 | 175.9 | 34.7 | -31.5 | 0 | 0 | 0 | 114.3 | | |
| 494 | N | 33.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | 62.1 | 84.5 | 160.1 | -71.4 | -33 | 0 | 0 | 0 | 120.3 | | |
| 495 | M | 35.8 | Very low | 35.7 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | | | trans | -35 | 135.2 | 137.8 | -62.2 | -93 | 90.1 | 0 | 0 | 113.3 | P497 | M495-P497 WeakPolarHBondContact O-CD 3.49Š|
| 496 | K | 37.2 | Very low | 35.8 | Very low | 197 Ų | 197 | 156.3 Ų | 156.3 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -90.5 | 116.7 | 163.4 | -76.3 | -178.6 | 177.8 | 174.6 | 0 | 110.7 | T498 | K496-T498 PolarHBondContact O-N 2.93Š|
| 497 | P | 36.5 | Very low | 36.5 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | trans | -82.7 | 115.6 | 175.5 | 31.5 | -32.1 | 0 | 0 | 0 | 111.2 | M495 | M495-P497 WeakPolarHBondContact O-CD 3.49Š|
| 498 | T | 41.8 | Very low | 36.6 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -78.8 | 134.9 | 179.8 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | K496 A500 | K496-T498 PolarHBondContact O-N 2.93Å; T498-A500 PolarHBondContact O-N 2.94Å |
| 499 | H | 36.7 | Very low | 37.3 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | | | trans | -60 | 120.4 | -168.7 | -75.6 | -90.9 | 0 | 0 | 0 | 115.5 | | |
| 500 | A | 38.2 | Very low | 37.7 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | | | trans | -99.4 | 90.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | T498 R502 | T498-A500 PolarHBondContact O-N 2.94Å; A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.09Å |
| 501 | R | 37.5 | Very low | 38.2 | Very low | 248 Ų | 248 | 155.2 Ų | 155.2 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | | | trans | -62.7 | 110.4 | 169.8 | -89.7 | -176.4 | 171.7 | 167.8 | -2.3 | 109.9 | | |
| 502 | R | 35.7 | Very low | 38.8 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | | | trans | -125.9 | 117.8 | 167.7 | -147.6 | 175.1 | -170.7 | -175.6 | 1.3 | 109.2 | A500 S504 | A500-R502 PolarHBondContact O-N 2.92Å; A500-R502 VanDerWaalsContact O-N 3.09Å; R502-S504 PolarHBondContact O-N 3.24Å |
| 503 | L | 40.3 | Very low | 39 | Very low | 175 Ų | 175 | 153.6 Ų | 153.6 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -69.1 | 128.3 | -179.4 | -63.4 | 166.8 | 0 | 0 | 0 | 109.7 | | |
| 504 | S | 32.7 | Very low | 39.2 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -98.3 | 145.9 | 157.5 | -163.5 | 0 | 0 | 0 | 0 | 108.2 | R502 | R502-S504 PolarHBondContact O-N 3.24Š|
| 505 | L | 48.8 | Very low | 39.4 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -123.2 | 123.8 | 176.2 | -108.4 | 166.5 | 0 | 0 | 0 | 108.4 | | |
| 506 | D | 36.6 | Very low | 39.7 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | | | trans | -74.1 | 144.8 | 177.1 | -103.1 | -62.6 | 0 | 0 | 0 | 112.1 | | |
| 507 | S | 45 | Very low | 39.9 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -159.3 | 114.9 | 151.5 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 508 | K | 37.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | -96.1 | 149.3 | 178.7 | -57.9 | 172.7 | -176.8 | 173.6 | 0 | 110.9 | | |
| 509 | L | 42.6 | Very low | 40 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | 170.9 | 110.2 | 154.1 | -92.7 | 152.8 | 0 | 0 | 0 | 105.5 | | |
| 510 | V | 41.1 | Very low | 40.2 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | cis | 81 | 94.8 | 49.6 | -177.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 511 | S | 39.5 | Very low | 40.5 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -174.8 | 126.7 | 145.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 512 | P | 42.5 | Very low | 40.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -110.7 | 164 | -179.7 | 40 | -33.3 | 0 | 0 | 0 | 114.7 | | |
| 513 | C | 39.7 | Very low | 41 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | 166.6 | 163.8 | 130.8 | -92 | 0 | 0 | 0 | 0 | 113.6 | | |
| 514 | P | 44.6 | Very low | 41.1 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | -131.9 | 152 | -151.6 | 41.9 | -26.1 | 0 | 0 | 0 | 119.6 | | |
| 515 | N | 38 | Very low | 41.6 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | 34 | 121.2 | 132.6 | -173.2 | 22.6 | 0 | 0 | 0 | 122.3 | | |
| 516 | R | 40.5 | Very low | 41.2 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | | -166.5 | 134.6 | 129.4 | -112.3 | -174.4 | -175 | -134.1 | 13.5 | 114.1 | | |
| 517 | Q | 42 | Very low | 41.7 | Very low | 128 Ų | 128 | 133 Ų | 133 | 60% | 0.598 | 77% | 0.766 | S | S | * | * | | | trans | 45.7 | 149.8 | 132.2 | -68.6 | 172.7 | -26.6 | 0 | 0 | 120.9 | | |
| 518 | N | 40.8 | Very low | 41.4 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | | | cis | -164.1 | 155.8 | 9.9 | -128.9 | 9 | 0 | 0 | 0 | 111.7 | | |
| 519 | S | 40.3 | Very low | 41.9 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | trans | 59.7 | 168.2 | 148 | -56 | 0 | 0 | 0 | 0 | 119.5 | | |
| 520 | T | 41.4 | Very low | 41.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | cis | -170.3 | 157.4 | -31.3 | 32.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 521 | S | 43.9 | Very low | 41.9 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | | | cis | -176.2 | 173 | -24.8 | 58.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 522 | N | 43.6 | Very low | 42 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | 66.5 | 159.1 | 163.3 | -67.2 | -12.9 | 0 | 0 | 0 | 117.6 | | |
| 523 | S | 40 | Very low | 42.1 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | cis | -162.6 | 141.1 | -14.3 | 164.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 524 | S | 41.3 | Very low | 42.1 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | 53.6 | 121.3 | 142.5 | -54.5 | 0 | 0 | 0 | 0 | 125.6 | | |
| 525 | R | 43.5 | Very low | 41.7 | Very low | 239 Ų | 239 | 138.4 Ų | 138.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | | 79.9 | 125.4 | 122.9 | -72.4 | -179.9 | 174.6 | -162.4 | -1.3 | 123.2 | | |
| 526 | S | 41.2 | Very low | 41.9 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | | 88.9 | 105.4 | 126.1 | -173.9 | 0 | 0 | 0 | 0 | 121.8 | | |
| 527 | A | 46.7 | Very low | 42 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | | -164.6 | 158 | 124 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 528 | R | 39.1 | Very low | 42.1 | Very low | 240 Ų | 240 | 132.9 Ų | 132.9 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | | | trans | -115 | 174.9 | 165 | -119.4 | -171.4 | 170.3 | -177.1 | -2.7 | 106.5 | | |
| 529 | P | 47.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | cis | -145 | 171 | 22.8 | 42.4 | -21.9 | 0 | 0 | 0 | 119.2 | | |
| 530 | S | 42 | Very low | 42.4 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 53.6 | 132.3 | 139.7 | 63.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 531 | R | 42 | Very low | 43.1 | Very low | 247 Ų | 247 | 129.8 Ų | 129.8 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | | | trans | 65.5 | 103.8 | 141.8 | -78.3 | -177 | 163.9 | -175.6 | -4.9 | 119.9 | | |
| 532 | S | 42 | Very low | 44 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | | -156.7 | 170 | 112.1 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 533 | S | 43.4 | Very low | 44.6 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | trans | -107.3 | 137 | -169 | 51 | 0 | 0 | 0 | 0 | 113 | | |
| 534 | N | 40 | Very low | 46.1 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | | -167.6 | 159.4 | 128.3 | -100.7 | -17.6 | 0 | 0 | 0 | 114.5 | | |
| 535 | S | 37.3 | Very low | 47.8 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | -14.9 | 121.1 | 168.5 | 54.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 536 | T | 40.7 | Very low | 49.3 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | -177.9 | 114.2 | 104.7 | 42 | 0 | 0 | 0 | 0 | 110.6 | S538 | T536-S538 PolarHBondContact O-N 3.35Š|
| 537 | S | 43.2 | Very low | 50.7 | Low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -89.1 | 74.8 | 176.9 | 41 | 0 | 0 | 0 | 0 | 112 | C539 | S537-C539 PolarHBondContact O-N 2.78Š|
| 538 | S | 43.8 | Very low | 51.9 | Low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -68.1 | 95.8 | 174.5 | 58 | 0 | 0 | 0 | 0 | 111.4 | T536 G540 | T536-S538 PolarHBondContact O-N 3.35Å; S538-G540 PolarHBondContact O-N 2.96Å |
| 539 | C | 44.6 | Very low | 53.5 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 98.7 | 174.2 | -175 | 0 | 0 | 0 | 0 | 110.5 | S537 S541 | S537-C539 PolarHBondContact O-N 2.78Å; C539-S541 VanDerWaalsContact C-N 3.33Å; C539-S541 PolarHBondContact O-N 2.68Å |
| 540 | G | 42.6 | Very low | 54.6 | Low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -66.6 | 86.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S538 | S538-G540 PolarHBondContact O-N 2.96Š|
| 541 | S | 56.5 | Low | 56.5 | Low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -66.1 | 131.3 | 175.7 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | C539 S543 | C539-S541 VanDerWaalsContact C-N 3.33Å; C539-S541 PolarHBondContact O-N 2.68Å; S541-S543 PolarHBondContact O-N 3.17Å |
| 542 | P | 63.6 | Low | 58.5 | Low | 120 Ų | 120 | 127.9 Ų | 127.9 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -65.3 | 124.7 | 180 | 26.2 | -33.5 | 0 | 0 | 0 | 110.3 | M544 | P542-M544 PolarHBondContact O-N 3.26Š|
| 543 | S | 56.3 | Low | 60.7 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | -62.1 | 111.2 | 179.4 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | S541 | S541-S543 PolarHBondContact O-N 3.17Š|
| 544 | M | 70.1 | Confident | 62.9 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.8 | 177.2 | -85.7 | -65.9 | -63.5 | 0 | 0 | 110 | P542 | P542-M544 PolarHBondContact O-N 3.26Š|
| 545 | P | 77.3 | Confident | 65.4 | Low | 99 Ų | 99 | 119.8 Ų | 119.8 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 142.7 | 176.6 | 25.5 | -34.1 | 0 | 0 | 0 | 110.2 | | |
| 546 | P | 74.7 | Confident | 68.1 | Low | 111 Ų | 111 | 120 Ų | 120 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.6 | -174.4 | 22.9 | -33.9 | 0 | 0 | 0 | 111.2 | R548 | P546-R548 PolarHBondContact O-N 2.95Š|
| 547 | P | 71.8 | Confident | 70.7 | Confident | 127 Ų | 127 | 121.7 Ų | 121.7 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | | | trans | -53.6 | 109.1 | -174.9 | -27.8 | 35.3 | 0 | 0 | 0 | 112 | Q549 | P547-Q549 PolarHBondContact O-N 3.47Š|
| 548 | R | 72.2 | Confident | 73.1 | Confident | 228 Ų | 228 | 120.4 Ų | 120.4 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | | | trans | -53.5 | 127.3 | 172 | -72.9 | -174.5 | 171.7 | -159 | -2.9 | 107.5 | P546 T550 | P546-R548 PolarHBondContact O-N 2.95Å; R548-T550 VanDerWaalsContact C-N 3.29Å; R548-T550 PolarHBondContact O-N 2.8Å; R548-T550 PolarHBondContact O-OG1 2.95Å |
| 549 | Q | 71.9 | Confident | 75.6 | Confident | 189 Ų | 189 | 122.8 Ų | 122.8 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | | | trans | -63.7 | 86.7 | -174.4 | -68.3 | -178.8 | -4.6 | 0 | 0 | 111.4 | P547 K551 | P547-Q549 PolarHBondContact O-N 3.47Å; Q549-K551 PolarHBondContact O-N 2.67Å |
| 550 | T | 71.1 | Confident | 78.1 | Confident | 125 Ų | 125 | 122.6 Ų | 122.6 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | | | trans | -68.1 | 98.4 | 179.3 | -41.3 | 0 | 0 | 0 | 0 | 108.2 | R548 T552 | R548-T550 VanDerWaalsContact C-N 3.29Å; R548-T550 PolarHBondContact O-N 2.8Å; R548-T550 PolarHBondContact O-OG1 2.95Å; T550-T552 PolarHBondContact O-N 3.22Å |
| 551 | K | 80.6 | Confident | 80.7 | Confident | 170 Ų | 170 | 126.9 Ų | 126.9 | 74% | 0.739 | 67% | 0.672 | S | S | * | * | | | trans | -52 | 104.6 | -178.4 | -75.7 | 175.4 | 178.6 | 166.5 | 0 | 109.4 | Q549 | Q549-K551 PolarHBondContact O-N 2.67Š|
| 552 | T | 85.7 | Confident | 82.5 | Confident | 98 Ų | 98 | 125.2 Ų | 125.2 | 60% | 0.601 | 66% | 0.664 | S | S | * | * | | | trans | -58.9 | 146.9 | -169.3 | -36 | 0 | 0 | 0 | 0 | 109.3 | T550 A554 A555 M556 | T550-T552 PolarHBondContact O-N 3.22Å; T552-A554 CarbonylContact O-C 3.56Å; T552-A554 PolarHBondContact O-N 2.69Å; T552-A555 WeakPolarHBondContact O-CA 3.39Å; T552-A555 WeakPolarHBondContact O-CB 3.31Å; T552-A555 PolarHBondContact O-N 3.17Å; T552-M556 PolarHBondContact O-N 2.99Å; T552-M556 VanDerWaalsContact O-N 3.1Å |
| 553 | L | 86.8 | Confident | 84.2 | Confident | 98 Ų | 98 | 127 Ų | 127 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -59.3 | -23.8 | -177.4 | -164.3 | 143.8 | 0 | 0 | 0 | 112.4 | R557 | L553-R557 HydrophobicContact CD2-CG 4.32Å; L553-R557 VanDerWaalsContact CD2-NE 3.34Å; L553-R557 WeakPolarHBondContact O-CG 3.2Å; L553-R557 PolarHBondContact O-N 3.04Å; L553-R557 VanDerWaalsContact O-N 3.08Å |
| 554 | A | 89.4 | Confident | 86 | Confident | 67 Ų | 67 | 130.2 Ų | 130.2 | 55% | 0.554 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.3 | -52 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T552 M556 R557 E558 | T552-A554 CarbonylContact O-C 3.56Å; T552-A554 PolarHBondContact O-N 2.69Å; A554-M556 VanDerWaalsContact C-N 3.29Å; A554-M556 PolarHBondContact O-N 3.09Å; A554-R557 WeakPolarHBondContact O-CB 3.49Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.11Å; A554-E558 PolarHBondContact O-N 2.6Å |
| 555 | A | 92.1 | Very high | 87.1 | Confident | 53 Ų | 53 | 129.9 Ų | 129.9 | 44% | 0.438 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.7 | -32.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T552 K559 | T552-A555 WeakPolarHBondContact O-CA 3.39Å; T552-A555 WeakPolarHBondContact O-CB 3.31Å; T552-A555 PolarHBondContact O-N 3.17Å; A555-K559 WeakPolarHBondContact O-CB 3.13Å; A555-K559 PolarHBondContact O-N 3.05Å |
| 556 | M | 94.8 | Very high | 87.9 | Confident | 105 Ų | 105 | 130 Ų | 130 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -41.3 | 171.9 | -64.5 | -154.8 | -62.5 | 0 | 0 | 112.5 | T552 A554 L560 | T552-M556 PolarHBondContact O-N 2.99Å; T552-M556 VanDerWaalsContact O-N 3.1Å; A554-M556 VanDerWaalsContact C-N 3.29Å; A554-M556 PolarHBondContact O-N 3.09Å; M556-L560 PolarHBondContact O-N 3.32Å |
| 557 | R | 95.7 | Very high | 88.8 | Confident | 167 Ų | 167 | 130.7 Ų | 130.7 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.1 | -40.5 | 174 | -77.4 | 174.8 | 174.1 | 164.8 | 1.4 | 112 | L553 A554 L560 R561 | L553-R557 HydrophobicContact CD2-CG 4.32Å; L553-R557 VanDerWaalsContact CD2-NE 3.34Å; L553-R557 WeakPolarHBondContact O-CG 3.2Å; L553-R557 PolarHBondContact O-N 3.04Å; L553-R557 VanDerWaalsContact O-N 3.08Å; A554-R557 WeakPolarHBondContact O-CB 3.49Å; A554-R557 PolarHBondContact O-N 2.96Å; A554-R557 VanDerWaalsContact O-N 3.11Å; R557-L560 WeakPolarHBondContact O-CB 3.32Å; R557-L560 PolarHBondContact O-N 3.3Å; R557-R561 PolarHBondContact O-N 3.18Å |
| 558 | E | 94.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 129.7 Ų | 129.7 | 46% | 0.458 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.6 | -39.9 | 179.8 | -153.6 | 53.9 | -126.9 | 0 | 0 | 111.9 | A554 L560 R561 A562 | A554-E558 PolarHBondContact O-N 2.6Å; E558-L560 PolarHBondContact O-N 2.92Å; E558-R561 WeakPolarHBondContact O-CB 3.47Å; E558-R561 PolarHBondContact O-N 3.38Å; E558-R561 VanDerWaalsContact O-N 3.12Å; E558-R561 WeakPolarHBondContact OE1-CD 3.32Å; E558-R561 IonicContact OE1-NH1 2.6Å; E558-R561 WeakPolarHBondContact OE2-CD 3.39Å; E558-R561 IonicContact OE2-CZ 2.73Å; E558-R561 IonicContact OE2-NE 3.8Å; E558-R561 IonicContact OE2-NH1 3.67Å; E558-R561 PolarHBondContact OE2-NH1 2.78Å; E558-A562 PolarHBondContact O-N 3.28Å |
| 559 | K | 96.1 | Very high | 90.3 | Very high | 160 Ų | 160 | 121.4 Ų | 121.4 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.4 | -33.4 | 170.1 | -175.2 | 166.1 | -177.3 | 169.2 | 0 | 112.5 | A555 K563 | A555-K559 WeakPolarHBondContact O-CB 3.13Å; A555-K559 PolarHBondContact O-N 3.05Å; K559-K563 WeakPolarHBondContact O-CB 3.3Å; K559-K563 PolarHBondContact O-N 3.15Å |
| 560 | L | 96.2 | Very high | 90.9 | Very high | 110 Ų | 110 | 117.8 Ų | 117.8 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.5 | -34.9 | 174 | -86.9 | 165.3 | 0 | 0 | 0 | 113.2 | M556 R557 E558 R564 | M556-L560 PolarHBondContact O-N 3.32Å; R557-L560 WeakPolarHBondContact O-CB 3.32Å; R557-L560 PolarHBondContact O-N 3.3Å; E558-L560 PolarHBondContact O-N 2.92Å; L560-R564 WeakPolarHBondContact O-CB 3.37Å; L560-R564 PolarHBondContact O-N 3.11Å |
| 561 | R | 96.5 | Very high | 91.4 | Very high | 164 Ų | 164 | 119 Ų | 119 | 62% | 0.619 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -53.5 | 169.8 | -79.5 | 172.8 | 166.8 | 166.5 | -10.3 | 111.2 | R557 E558 K563 R564 M565 | R557-R561 PolarHBondContact O-N 3.18Å; E558-R561 WeakPolarHBondContact O-CB 3.47Å; E558-R561 PolarHBondContact O-N 3.38Å; E558-R561 VanDerWaalsContact O-N 3.12Å; E558-R561 WeakPolarHBondContact OE1-CD 3.32Å; E558-R561 IonicContact OE1-NH1 2.6Å; E558-R561 WeakPolarHBondContact OE2-CD 3.39Å; E558-R561 IonicContact OE2-CZ 2.73Å; E558-R561 IonicContact OE2-NE 3.8Å; E558-R561 IonicContact OE2-NH1 3.67Å; E558-R561 PolarHBondContact OE2-NH1 2.78Å; R561-K563 VanDerWaalsContact C-N 3.35Å; R561-K563 PolarHBondContact O-N 2.83Å; R561-R564 WeakPolarHBondContact O-CA 3.45Å; R561-R564 WeakPolarHBondContact O-CB 3.26Å; R561-R564 PolarHBondContact O-N 3.5Å; R561-M565 PolarHBondContact O-N 3.19Å |
| 562 | A | 96.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 115.1 Ų | 115.1 | 50% | 0.504 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.9 | -45.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E558 R564 M565 L566 | E558-A562 PolarHBondContact O-N 3.28Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.37Å; A562-M565 PolarHBondContact O-N 3.27Å; A562-L566 WeakPolarHBondContact O-CB 3.49Å; A562-L566 PolarHBondContact O-N 3.11Å |
| 563 | K | 97.5 | Very high | 89.8 | Confident | 158 Ų | 158 | 118.2 Ų | 118.2 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -31.7 | 175.8 | -169.1 | 178.3 | -179.2 | -175 | 0 | 112.8 | K559 R561 K567 | K559-K563 WeakPolarHBondContact O-CB 3.3Å; K559-K563 PolarHBondContact O-N 3.15Å; R561-K563 VanDerWaalsContact C-N 3.35Å; R561-K563 PolarHBondContact O-N 2.83Å; K563-K567 PolarHBondContact O-N 3.02Å |
| 564 | R | 95.3 | Very high | 88.6 | Confident | 190 Ų | 190 | 122 Ų | 122 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75 | -39.9 | 178.1 | -162.3 | -179.1 | -63.1 | 179.3 | -3.4 | 111.7 | L560 R561 A562 E568 | L560-R564 WeakPolarHBondContact O-CB 3.37Å; L560-R564 PolarHBondContact O-N 3.11Å; R561-R564 WeakPolarHBondContact O-CA 3.45Å; R561-R564 WeakPolarHBondContact O-CB 3.26Å; R561-R564 PolarHBondContact O-N 3.5Å; A562-R564 VanDerWaalsContact C-N 3.28Å; A562-R564 PolarHBondContact O-N 3.37Å; R564-E568 PolarHBondContact O-N 2.97Å |
| 565 | M | 94 | Very high | 86.8 | Confident | 149 Ų | 149 | 121.8 Ų | 121.8 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.1 | -43.8 | 171.8 | -78.8 | -164 | 75.1 | 0 | 0 | 112.2 | R561 A562 K567 E568 S569 | R561-M565 PolarHBondContact O-N 3.19Å; A562-M565 PolarHBondContact O-N 3.27Å; M565-K567 VanDerWaalsContact C-N 3.34Å; M565-K567 PolarHBondContact O-N 3.35Å; M565-E568 PolarHBondContact O-N 2.79Å; M565-S569 PolarHBondContact O-N 2.94Å; M565-S569 PolarHBondContact O-OG 2.92Å |
| 566 | L | 93.3 | Very high | 85 | Confident | 102 Ų | 102 | 127.5 Ų | 127.5 | 53% | 0.534 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58.4 | -46.1 | 179.3 | -173.8 | 65.3 | 0 | 0 | 0 | 111.7 | A562 E568 S569 E570 | A562-L566 WeakPolarHBondContact O-CB 3.49Å; A562-L566 PolarHBondContact O-N 3.11Å; L566-E568 PolarHBondContact O-N 3.06Å; L566-S569 WeakPolarHBondContact CA-OG 3.35Å; L566-S569 PolarHBondContact O-N 3.23Å; L566-S569 PolarHBondContact O-OG 3.44Å; L566-E570 WeakPolarHBondContact O-CG 3.03Å; L566-E570 PolarHBondContact O-N 2.93Å |
| 567 | K | 93.7 | Very high | 82.6 | Confident | 125 Ų | 125 | 133.5 Ų | 133.5 | 54% | 0.543 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.5 | -26.1 | 176.7 | -174.3 | 168.6 | -178.5 | 177.1 | 0 | 113.4 | K563 M565 E570 R571 | K563-K567 PolarHBondContact O-N 3.02Å; M565-K567 VanDerWaalsContact C-N 3.34Å; M565-K567 PolarHBondContact O-N 3.35Å; K567-E570 WeakPolarHBondContact CA-OE2 3.25Å; K567-R571 WeakPolarHBondContact O-CG 3.49Å; K567-R571 PolarHBondContact O-N 3.22Å |
| 568 | E | 88.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 133.5 Ų | 133.5 | 50% | 0.495 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -81.7 | -36.3 | 175.9 | -148.4 | 60 | -157.1 | 0 | 0 | 111.8 | R564 M565 L566 R571 S572 | R564-E568 PolarHBondContact O-N 2.97Å; M565-E568 PolarHBondContact O-N 2.79Å; L566-E568 PolarHBondContact O-N 3.06Å; E568-R571 WeakPolarHBondContact O-CB 3.2Å; E568-R571 PolarHBondContact O-N 2.68Å; E568-R571 IonicContact OE1-NH1 3.6Å; E568-R571 IonicContact OE2-CZ 2.99Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.03Å; E568-S572 PolarHBondContact O-N 2.87Å |
| 569 | S | 86.9 | Confident | 78 | Confident | 55 Ų | 55 | 139.2 Ų | 139.2 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -65.8 | -35.5 | 169.7 | 49.2 | 0 | 0 | 0 | 0 | 113 | M565 L566 R571 S572 M573 | M565-S569 PolarHBondContact O-N 2.94Å; M565-S569 PolarHBondContact O-OG 2.92Å; L566-S569 WeakPolarHBondContact CA-OG 3.35Å; L566-S569 PolarHBondContact O-N 3.23Å; L566-S569 PolarHBondContact O-OG 3.44Å; S569-R571 VanDerWaalsContact C-N 3.28Å; S569-R571 PolarHBondContact O-N 3.08Å; S569-S572 PolarHBondContact O-N 2.66Å; S569-M573 WeakPolarHBondContact O-CB 3.3Å; S569-M573 VanDerWaalsContact O-CG 3.23Å; S569-M573 WeakPolarHBondContact O-CG 3.19Å; S569-M573 PolarHBondContact O-N 3.02Å |
| 570 | E | 84 | Confident | 75.4 | Confident | 113 Ų | 113 | 135.3 Ų | 135.3 | 53% | 0.528 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -58.4 | -40 | 173.1 | -75.2 | 167.1 | 176 | 0 | 0 | 111.4 | L566 K567 | L566-E570 WeakPolarHBondContact O-CG 3.03Å; L566-E570 PolarHBondContact O-N 2.93Å; K567-E570 WeakPolarHBondContact CA-OE2 3.25Å |
| 571 | R | 81.2 | Confident | 73.3 | Confident | 151 Ų | 151 | 138.3 Ų | 138.3 | 57% | 0.57 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.7 | -43.5 | 174.3 | -71.4 | 162.9 | 157.1 | -177.3 | -15.1 | 112.5 | K567 E568 S569 M573 | K567-R571 WeakPolarHBondContact O-CG 3.49Å; K567-R571 PolarHBondContact O-N 3.22Å; E568-R571 WeakPolarHBondContact O-CB 3.2Å; E568-R571 PolarHBondContact O-N 2.68Å; E568-R571 IonicContact OE1-NH1 3.6Å; E568-R571 IonicContact OE2-CZ 2.99Å; E568-R571 IonicContact OE2-NH1 2.66Å; E568-R571 PolarHBondContact OE2-NH1 3.03Å; S569-R571 VanDerWaalsContact C-N 3.28Å; S569-R571 PolarHBondContact O-N 3.08Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 2.94Å |
| 572 | S | 70.9 | Confident | 70.9 | Confident | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -68.8 | -25.3 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 113.7 | E568 S569 | E568-S572 PolarHBondContact O-N 2.87Å; S569-S572 PolarHBondContact O-N 2.66Å |
| 573 | M | 62.7 | Low | 68.3 | Low | 163 Ų | 163 | 136.5 Ų | 136.5 | 80% | 0.803 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -84.4 | -25.5 | -177.6 | -72.1 | -74.8 | -74.5 | 0 | 0 | 113.8 | S569 R571 | S569-M573 WeakPolarHBondContact O-CB 3.3Å; S569-M573 VanDerWaalsContact O-CG 3.23Å; S569-M573 WeakPolarHBondContact O-CG 3.19Å; S569-M573 PolarHBondContact O-N 3.02Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 2.94Å |
| 574 | M | 60.5 | Low | 65.7 | Low | 176 Ų | 176 | 134.3 Ų | 134.3 | 87% | 0.867 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -86.8 | -9.6 | 179.1 | -109.1 | 72.5 | 179.4 | 0 | 0 | 114.1 | | |
| 575 | G | 53.5 | Low | 63.1 | Low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -99.9 | 4.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 576 | Q | 52.5 | Low | 61.4 | Low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | | | trans | -122.7 | 79.5 | -177.2 | -73 | -166.9 | -5.3 | 0 | 0 | 113.3 | | |
| 577 | R | 46 | Very low | 59.4 | Low | 230 Ų | 230 | 133.3 Ų | 133.3 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -174.5 | 142 | 149.3 | -104.9 | 157.5 | -146.1 | -118.2 | 3.8 | 111.5 | | |
| 578 | F | 46 | Very low | 57.2 | Low | 168 Ų | 168 | 135.4 Ų | 135.4 | 74% | 0.737 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 70.6 | 137 | 174.2 | -73.3 | -80.6 | 0 | 0 | 0 | 118.9 | | |
| 579 | Y | 47.1 | Very low | 55.6 | Low | 218 Ų | 218 | 136.6 Ų | 136.6 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | | | trans | 56.5 | 103.9 | 173.1 | -51.8 | -62.9 | 0 | 0 | 0 | 118.2 | | |
| 580 | G | 40.8 | Very low | 53.6 | Low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -114.1 | 132.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 581 | L | 53.2 | Low | 51.7 | Low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | -148.3 | 163.7 | 161.5 | -93.1 | 173.5 | 0 | 0 | 0 | 106.7 | | |
| 582 | P | 45.6 | Very low | 49.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | trans | -95 | 152.2 | -136.6 | 34 | -38.3 | 0 | 0 | 0 | 117.3 | | |
| 583 | G | 40.4 | Very low | 48.5 | Very low | 69 Ų | 69 | 137.9 Ų | 137.9 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | | 88.2 | 27.9 | 119.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | M585 | G583-M585 PolarHBondContact O-N 3.41Š|
| 584 | S | 44.4 | Very low | 47.5 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -74.2 | 86.3 | 168.9 | -172.3 | 0 | 0 | 0 | 0 | 112 | T586 | S584-T586 PolarHBondContact O-N 2.99Š|
| 585 | M | 40.8 | Very low | 46.6 | Very low | 180 Ų | 180 | 130.2 Ų | 130.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 92.3 | 173.2 | -74.1 | -170.1 | 67 | 0 | 0 | 111.2 | G583 P587 | G583-M585 PolarHBondContact O-N 3.41Å; M585-P587 WeakPolarHBondContact O-CD 3.24Å |
| 586 | T | 56.5 | Low | 46 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -89 | 108.4 | 164.1 | 27.4 | 0 | 0 | 0 | 0 | 109.7 | S584 | S584-T586 PolarHBondContact O-N 2.99Š|
| 587 | P | 51.9 | Low | 45.4 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | trans | -73.5 | 134.4 | -175.8 | 28.8 | -34.2 | 0 | 0 | 0 | 111.8 | M585 | M585-P587 WeakPolarHBondContact O-CD 3.24Š|
| 588 | H | 47.5 | Very low | 45.2 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | | | trans | -64.2 | 133.5 | 167.8 | -79.9 | -84.7 | 0 | 0 | 0 | 110.4 | S590 | H588-S590 PolarHBondContact O-N 3.38Š|
| 589 | P | 55.3 | Low | 44.7 | Very low | 131 Ų | 131 | 134 Ų | 134 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -74 | 76.8 | 176.3 | 30.8 | -35.4 | 0 | 0 | 0 | 111.1 | | |
| 590 | S | 45.1 | Very low | 44.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -144.9 | 29 | -172.2 | -67 | 0 | 0 | 0 | 0 | 114.1 | H588 | H588-S590 PolarHBondContact O-N 3.38Š|
| 591 | S | 43.9 | Very low | 44.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | | | trans | -160.1 | 141.2 | 161.6 | -80.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 592 | G | 42.3 | Very low | 43.3 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | -99.6 | 129.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 593 | S | 42.8 | Very low | 42.9 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -144.7 | 155.2 | 160.1 | -165.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 594 | S | 42.3 | Very low | 42.8 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -87.1 | 141.7 | -176.9 | -165.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 595 | G | 39.8 | Very low | 42.5 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | trans | -149.3 | 101.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 596 | Y | 41.6 | Very low | 42.5 | Very low | 204 Ų | 204 | 136.2 Ų | 136.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | -33.9 | 128.2 | -178 | -61.6 | -96.8 | 0 | 0 | 0 | 117.2 | | |
| 597 | F | 41 | Very low | 41.5 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | | | trans | -110.7 | 134.8 | 130.8 | -86 | -83.9 | 0 | 0 | 0 | 107.9 | | |
| 598 | Q | 40.2 | Very low | 40.8 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -85.6 | 121.7 | -174.9 | -68.3 | -177.9 | -7.4 | 0 | 0 | 111.4 | R600 | Q598-R600 PolarHBondContact O-N 3.45Š|
| 599 | N | 36 | Very low | 40.3 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -70 | 106.1 | 156.6 | -88.4 | -2.8 | 0 | 0 | 0 | 108.8 | N601 | N599-N601 PolarHBondContact O-N 2.9Š|
| 600 | R | 39.3 | Very low | 39.3 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -77.2 | 71.8 | 163.9 | -80.3 | -168.5 | 176.3 | -171.9 | 1.7 | 110.5 | Q598 | Q598-R600 PolarHBondContact O-N 3.45Š|
| 601 | N | 36.8 | Very low | 38.9 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | trans | -82.7 | 109.6 | 157.3 | -76.9 | -2 | 0 | 0 | 0 | 107.8 | N599 P603 | N599-N601 PolarHBondContact O-N 2.9Å; N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.18Å |
| 602 | Y | 35.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 137 Ų | 137 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -97.6 | 108.7 | 167.5 | -90 | -72.8 | 0 | 0 | 0 | 110 | | |
| 603 | P | 36.9 | Very low | 38.3 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -94.5 | 116.5 | 162.8 | 34 | -27.8 | 0 | 0 | 0 | 109.9 | N601 | N601-P603 VanDerWaalsContact O-CD 3.28Å; N601-P603 WeakPolarHBondContact O-CD 3.18Å |
| 604 | T | 39.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -136.4 | 149.8 | 160.8 | -46.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 605 | S | 38.3 | Very low | 37.8 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | trans | -142.8 | 178.9 | -162.9 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 606 | I | 40.3 | Very low | 37.7 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | trans | 93.5 | 115.4 | 166.4 | -59.2 | 166.9 | 0 | 0 | 0 | 115.9 | N722 | I606-N722 VanDerWaalsContact CG2-ND2 3.32Å; I606-N722 WeakPolarHBondContact CG2-ND2 3.49Å |
| 607 | N | 35.7 | Very low | 37.4 | Very low | 132 Ų | 132 | 148 Ų | 148 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -69.7 | 158.7 | 163.7 | -61.1 | -26.6 | 0 | 0 | 0 | 111.2 | | |
| 608 | F | 36.6 | Very low | 37.3 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | | -169.7 | 164 | 99.9 | -105.4 | -71.6 | 0 | 0 | 0 | 113.6 | N722 | F608-N722 HydrophobicContact CD2-CB 4.49Å; F608-N722 HydrophobicContact CE2-CB 3.94Å; F608-N722 WeakPolarHBondContact CE2-O 3.48Å |
| 609 | V | 37.7 | Very low | 36.9 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | -96.2 | 151.2 | -169.4 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L611 | V609-L611 HydrophobicContact CG1-CD1 3.86Š|
| 610 | S | 35 | Very low | 37.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -156.3 | 144.2 | 150 | -77.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 611 | L | 36.3 | Very low | 37.2 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | trans | -100.3 | 147.5 | -177.7 | -82.8 | 74.3 | 0 | 0 | 0 | 112.5 | V609 | V609-L611 HydrophobicContact CG1-CD1 3.86Š|
| 612 | S | 35.2 | Very low | 37.3 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -175 | 119 | 142.2 | 34.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 613 | E | 37 | Very low | 37.5 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | cis | 52.3 | 91.5 | 49.4 | -64.8 | -163.2 | 156 | 0 | 0 | 113.6 | | |
| 614 | T | 40.1 | Very low | 37.4 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 92% | 0.92 | 77% | 0.773 | S | S | * | * | | | | -173.6 | 155.7 | 111.3 | 21.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 615 | E | 35.7 | Very low | 37.6 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | trans | -82.4 | 151.2 | 174.5 | -54.2 | 166.3 | 97.1 | 0 | 0 | 111.3 | | |
| 616 | N | 36.7 | Very low | 37.7 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | | -177.8 | 165 | 102.6 | -103.6 | -73.7 | 0 | 0 | 0 | 114.6 | | |
| 617 | K | 36.9 | Very low | 37.5 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -98.2 | 141.2 | 177.3 | -59.5 | 169.4 | -177.1 | 168.4 | 0 | 110.8 | | |
| 618 | Q | 38.2 | Very low | 37.6 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -157.2 | 149 | 148.8 | -115 | 165.7 | 26 | 0 | 0 | 112.7 | | |
| 619 | S | 32 | Very low | 37.9 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -139.8 | -175.3 | 177.2 | -35.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 620 | P | 44.6 | Very low | 38 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | cis | -133.1 | -125.6 | -7.6 | 40.3 | -18.8 | 0 | 0 | 0 | 111 | | |
| 621 | S | 36.9 | Very low | 38.3 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | 76.6 | 121 | -179 | 71.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 622 | I | 39.5 | Very low | 38.3 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | cis | 84.7 | 99 | 38.8 | -58.2 | 160.4 | 0 | 0 | 0 | 112.9 | | |
| 623 | S | 39.8 | Very low | 38.5 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 173.5 | 133.8 | 117.4 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 624 | S | 34.8 | Very low | 38.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -77 | 172.8 | 160.9 | -25.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 625 | P | 43.3 | Very low | 38.4 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | cis | -130.7 | -153.7 | 49.5 | 34.8 | -11.3 | 0 | 0 | 0 | 111 | | |
| 626 | S | 38.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | cis | -157.4 | -175.5 | 10.6 | -156.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 627 | L | 37.1 | Very low | 38.3 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -110.1 | 152.7 | 178.5 | -58.6 | 86 | 0 | 0 | 0 | 112.1 | | |
| 628 | R | 38.8 | Very low | 38.7 | Very low | 244 Ų | 244 | 133.5 Ų | 133.5 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | | | | 178.1 | 139.9 | 108.8 | -98 | 176.1 | 177.2 | -167.5 | -1.3 | 113.7 | | |
| 629 | T | 41.3 | Very low | 38.6 | Very low | 91 Ų | 91 | 129 Ų | 129 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | | | trans | -95.2 | 164.1 | 163.5 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | N659 | T629-N659 HydrophobicContact CG2-CB 4.31Š|
| 630 | P | 40.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | | | | -145 | 136.2 | 127.7 | 32.9 | -15.7 | 0 | 0 | 0 | 116.5 | | |
| 631 | I | 42.1 | Very low | 39 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | | 59.8 | 115.9 | 120.4 | -54.2 | 166 | 0 | 0 | 0 | 120.9 | | |
| 632 | S | 35.7 | Very low | 39.3 | Very low | 62 Ų | 62 | 132.5 Ų | 132.5 | 43% | 0.434 | 76% | 0.756 | S | S | . | * | | | trans | -56.3 | -172.7 | 158.7 | 59.6 | 0 | 0 | 0 | 0 | 116.6 | R657 | S632-R657 PolarHBondContact OG-NH1 3.04Å; S632-R657 PolarHBondContact OG-NH2 2.84Å |
| 633 | P | 40.4 | Very low | 39.3 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -135 | -149.9 | -5.8 | 38.8 | -16.4 | 0 | 0 | 0 | 113.1 | | |
| 634 | S | 40 | Very low | 38.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | | | trans | 74.9 | 172.9 | 167 | 80.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 635 | A | 33.9 | Very low | 39.2 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | | | | -172.8 | 126.4 | -55.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 636 | N | 35.6 | Very low | 38.9 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | 56.8 | 160.2 | 164.7 | -86.2 | 25.9 | 0 | 0 | 0 | 122.6 | | |
| 637 | D | 34.6 | Very low | 38.6 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 58.2 | 104.2 | 156.1 | -62.6 | -35.1 | 0 | 0 | 0 | 122.2 | | |
| 638 | R | 45.6 | Very low | 38.5 | Very low | 254 Ų | 254 | 130.5 Ų | 130.5 | 96% | 0.958 | 74% | 0.739 | S | S | * | * | | | | -161 | 137.2 | 110.5 | -110.7 | 172.1 | 179.2 | -176.9 | -0.5 | 112.8 | | |
| 639 | S | 36.8 | Very low | 38.3 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | | | trans | -124.4 | 128.8 | -174.2 | 56 | 0 | 0 | 0 | 0 | 113.8 | | |
| 640 | V | 40.6 | Very low | 38 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -152.4 | 123 | 163.9 | -179.4 | 0 | 0 | 0 | 0 | 106 | | |
| 641 | H | 44.3 | Very low | 37.9 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | S | Bend | cis | -157.4 | 176.5 | -12.8 | -105.4 | -3.7 | 0 | 0 | 0 | 106.1 | | |
| 642 | S | 42.4 | Very low | 37.8 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | -147.9 | 139 | 14.9 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 643 | V | 39.3 | Very low | 38 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 81% | 0.806 | 75% | 0.749 | S | S | * | * | | | trans | 66.1 | 107.6 | 161.1 | -127.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 644 | N | 31.5 | Very low | 37.9 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | 99.7 | 131 | 134.4 | -121.7 | -6 | 0 | 0 | 0 | 123.2 | | |
| 645 | V | 41.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | | | trans | 39.4 | 98.1 | 165.4 | -73 | 0 | 0 | 0 | 0 | 119.5 | | |
| 646 | S | 36.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | | 77.1 | 116.1 | 76.2 | -60.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 647 | S | 31.5 | Very low | 38.5 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | cis | 81.3 | 137.6 | 42.3 | 81.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 648 | L | 34.8 | Very low | 39 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | | | cis | -161.1 | 165.3 | 35.8 | -74.1 | 163.3 | 0 | 0 | 0 | 114.9 | | |
| 649 | Q | 34.5 | Very low | 38.9 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | trans | 66.1 | 156.8 | 136.7 | -79.4 | 163.6 | -20.3 | 0 | 0 | 123.3 | | |
| 650 | S | 34.6 | Very low | 39.1 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | | | cis | -158.4 | 167.3 | -7.9 | 53 | 0 | 0 | 0 | 0 | 115.1 | | |
| 651 | E | 38.6 | Very low | 39 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 78% | 0.78 | 70% | 0.699 | S | S | * | * | | | trans | 69 | 153.1 | 149.3 | -75.7 | 157.3 | 117.9 | 0 | 0 | 121.2 | | |
| 652 | T | 40.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 64% | 0.638 | 69% | 0.694 | S | S | * | * | | | cis | -149.5 | 152.5 | 9.9 | -14.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 653 | Q | 40.5 | Very low | 38.5 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | | | trans | 56.9 | 147.8 | 149.9 | -80.7 | 159.4 | 3.3 | 0 | 0 | 123.1 | | |
| 654 | E | 37.6 | Very low | 38.3 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | | | cis | -164.9 | 133.7 | -32.1 | -111 | -155.2 | 101.9 | 0 | 0 | 107.7 | | |
| 655 | L | 43.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | | | | 66 | 138.5 | 90.1 | -100.2 | 66.5 | 0 | 0 | 0 | 116.4 | | |
| 656 | T | 37.6 | Very low | 38.3 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | | | cis | -139.1 | -137.3 | -10.6 | -20.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 657 | R | 41.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 60% | 0.596 | 71% | 0.708 | S | S | * | * | | | cis | -170.1 | 163.1 | -1.2 | -129 | 144.8 | -126.5 | -98.6 | -3.9 | 107.6 | S632 | S632-R657 PolarHBondContact OG-NH1 3.04Å; S632-R657 PolarHBondContact OG-NH2 2.84Å |
| 658 | P | 44.9 | Very low | 38.8 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 57% | 0.571 | 71% | 0.708 | S | S | * | * | | | | -136.1 | 169.2 | -55.1 | 41.8 | -25.8 | 0 | 0 | 0 | 115.4 | | |
| 659 | N | 42.9 | Very low | 38.8 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 54% | 0.54 | 71% | 0.714 | S | S | . | * | | | trans | 65 | 150.8 | 149.4 | -65.9 | 5.5 | 0 | 0 | 0 | 120.8 | T629 | T629-N659 HydrophobicContact CG2-CB 4.31Š|
| 660 | L | 41.9 | Very low | 39 | Very low | 147 Ų | 147 | 123.6 Ų | 123.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | | | cis | -166.7 | 139.8 | -10.8 | -113.6 | 168.6 | 0 | 0 | 0 | 110.7 | | |
| 661 | A | 38.9 | Very low | 39.3 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | | | trans | 58.1 | 170 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 662 | S | 40.2 | Very low | 39.3 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | cis | -163.6 | 167.6 | -44.7 | 54.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 663 | E | 35.1 | Very low | 39.1 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | | | trans | 82.6 | 162.9 | 171.5 | -50.5 | -165.3 | 121.5 | 0 | 0 | 120.5 | | |
| 664 | S | 36 | Very low | 39.3 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -37.5 | 171.5 | 169.6 | -148.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 665 | P | 39.4 | Very low | 39.1 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -134.9 | 177.6 | -47.6 | 38 | -21.7 | 0 | 0 | 0 | 114.5 | | |
| 666 | C | 33.1 | Very low | 38.9 | Very low | 118 Ų | 118 | 123 Ų | 123 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 60 | 131 | 156.8 | -65 | 0 | 0 | 0 | 0 | 122.1 | | |
| 667 | S | 33.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | 69.9 | -159.7 | 154.3 | -55.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 668 | P | 45.5 | Very low | 38.1 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | | -131.5 | 179.7 | -94.2 | 42.6 | -27.3 | 0 | 0 | 0 | 118.2 | | |
| 669 | L | 35 | Very low | 37.7 | Very low | 156 Ų | 156 | 125.3 Ų | 125.3 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | trans | 79.6 | 130.9 | 153.7 | -78.7 | 161.1 | 0 | 0 | 0 | 123.7 | | |
| 670 | S | 37.6 | Very low | 37.1 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 58.1 | 114 | 140.5 | -63.2 | 0 | 0 | 0 | 0 | 125.6 | | |
| 671 | A | 42 | Very low | 36.7 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | | 53.4 | 144.4 | 127.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 672 | P | 37.4 | Very low | 36.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -116 | 145.9 | 159.6 | 37.5 | -27.1 | 0 | 0 | 0 | 113.9 | | |
| 673 | S | 37.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -116 | 137.4 | 170.2 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 674 | I | 43.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -100.5 | 126 | 176.7 | -51.3 | 176.6 | 0 | 0 | 0 | 108.3 | | |
| 675 | N | 35.2 | Very low | 35.4 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -122.1 | 130 | -170.8 | -154.9 | -0 | 0 | 0 | 0 | 110.2 | | |
| 676 | V | 39.4 | Very low | 34.9 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -134.3 | 103.8 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 677 | M | 33.5 | Very low | 34.9 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | 54.4 | 116.7 | 155 | -70.1 | 150.2 | 59.3 | 0 | 0 | 120 | | |
| 678 | S | 28.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -66.6 | 168.4 | 160.3 | -39.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 679 | P | 36.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | | -112 | 147 | 87.3 | 33.8 | -35.8 | 0 | 0 | 0 | 112 | | |
| 680 | L | 29.6 | Very low | 33.9 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | cis | 69.7 | 85.9 | 45.3 | -71.2 | 178.1 | 0 | 0 | 0 | 114.9 | | |
| 681 | L | 34.2 | Very low | 33.7 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -165.1 | 119.6 | 143.1 | -92.8 | 165 | 0 | 0 | 0 | 103.9 | | |
| 682 | S | 26.9 | Very low | 33.2 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | | 50.3 | 127.1 | 76.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | | |
| 683 | V | 34.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | cis | -143.9 | 123.7 | 39.1 | -176.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 684 | N | 27.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | | 54.1 | 112 | 94.9 | -106.8 | 21.6 | 0 | 0 | 0 | 117.5 | | |
| 685 | N | 32.9 | Very low | 32.1 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | 152.4 | 119.2 | 137.1 | -76.9 | -9.3 | 0 | 0 | 0 | 109 | | |
| 686 | A | 29.2 | Very low | 32 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | cis | 98.1 | 146.9 | 34.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 687 | S | 33.2 | Very low | 31.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | 61.6 | 123.2 | -161.6 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 688 | S | 28.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | cis | 74.5 | 99.3 | 9.3 | 91.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 689 | E | 34.9 | Very low | 32.1 | Very low | 179 Ų | 179 | 129 Ų | 129 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | | | | -164.8 | 136.8 | 122.2 | -99 | 154 | -158.2 | 0 | 0 | 107.2 | | |
| 690 | N | 29.5 | Very low | 31.8 | Very low | 145 Ų | 145 | 129 Ų | 129 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | | | cis | 72.8 | 136.3 | 39.3 | -142.6 | 21.3 | 0 | 0 | 0 | 109.1 | | |
| 691 | I | 33.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 64% | 0.641 | 73% | 0.734 | S | S | * | * | | | cis | -156.3 | 160.8 | 31.1 | -67.7 | 165.1 | 0 | 0 | 0 | 109.7 | | |
| 692 | T | 32.2 | Very low | 31.8 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | | | trans | 61.2 | 129 | 163.2 | 48.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 693 | T | 29.2 | Very low | 32.1 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | | | cis | 80 | 149.3 | 37.6 | 73.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 694 | N | 32.7 | Very low | 31.8 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | 80.2 | 141.8 | 170.2 | -60.2 | -14.3 | 0 | 0 | 0 | 117.2 | | |
| 695 | N | 32.4 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | | | cis | -170.8 | 154.8 | -21.1 | -112 | -11.2 | 0 | 0 | 0 | 110.1 | | |
| 696 | N | 33 | Very low | 32.3 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | | | trans | 65.8 | 162.1 | 153.8 | -59.3 | -9.9 | 0 | 0 | 0 | 116.2 | | |
| 697 | N | 31.5 | Very low | 32.3 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | | | cis | -163.2 | 151.2 | -12.6 | -117.6 | -6.5 | 0 | 0 | 0 | 109.8 | | |
| 698 | L | 35.7 | Very low | 32.5 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | | | trans | 59.8 | 161.5 | 156.5 | -83.2 | 61.4 | 0 | 0 | 0 | 116.2 | | |
| 699 | D | 35.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | cis | -140 | 131.5 | -8 | -104.7 | -42.1 | 0 | 0 | 0 | 107 | | |
| 700 | N | 30.8 | Very low | 33 | Very low | 123 Ų | 123 | 138 Ų | 138 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | | 58.5 | 96.8 | 88.5 | -170.6 | 15.9 | 0 | 0 | 0 | 115.5 | | |
| 701 | Y | 32.9 | Very low | 33.2 | Very low | 226 Ų | 226 | 136.5 Ų | 136.5 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | | | trans | -138.2 | 119.4 | 160.6 | -98.8 | -81.9 | 0 | 0 | 0 | 111.4 | | |
| 702 | N | 31.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -76.4 | 144.5 | 170.1 | -92.5 | -51 | 0 | 0 | 0 | 111.3 | | |
| 703 | Y | 33.4 | Very low | 34 | Very low | 229 Ų | 229 | 141.5 Ų | 141.5 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | trans | -140.7 | 138 | 148.6 | -128.3 | -88.9 | 0 | 0 | 0 | 110.5 | | |
| 704 | C | 28.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -135.1 | 122.9 | -169 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 705 | S | 35.3 | Very low | 34.5 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -142.1 | 100.3 | 175.1 | -73.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 706 | S | 34.2 | Very low | 35 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 28.8 | 110.2 | 145.9 | 59.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 707 | S | 31 | Very low | 35.1 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -75 | 149.1 | 159.5 | -41.1 | 0 | 0 | 0 | 0 | 112 | | |
| 708 | F | 37.3 | Very low | 35.3 | Very low | 208 Ų | 208 | 145.3 Ų | 145.3 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | | | trans | -141.5 | 106.7 | 155 | -114.3 | -81.3 | 0 | 0 | 0 | 109.4 | | |
| 709 | A | 35.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | -133.4 | 128.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 710 | Q | 37.2 | Very low | 35.2 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89 | 117.6 | 171.9 | -72.6 | -176.3 | -15.5 | 0 | 0 | 109 | | |
| 711 | S | 34.2 | Very low | 35.5 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -94 | 143.7 | 179.4 | -54 | 0 | 0 | 0 | 0 | 112 | | |
| 712 | Y | 33.1 | Very low | 35.4 | Very low | 208 Ų | 208 | 138.2 Ų | 138.2 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 154.4 | 174.4 | -70.9 | -103.4 | 0 | 0 | 0 | 112.5 | S714 | Y712-S714 VanDerWaalsContact C-N 3.3Å; Y712-S714 PolarHBondContact O-N 2.85Å |
| 713 | P | 48.5 | Very low | 35.8 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -76 | 80.3 | 163.9 | 33.3 | -33.7 | 0 | 0 | 0 | 110.6 | | |
| 714 | S | 35.4 | Very low | 35.8 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 152.4 | 173.6 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | Y712 | Y712-S714 VanDerWaalsContact C-N 3.3Å; Y712-S714 PolarHBondContact O-N 2.85Å |
| 715 | S | 37 | Very low | 36.3 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 146 | -173.1 | -56.9 | 0 | 0 | 0 | 0 | 114.4 | H717 | S715-H717 PolarHBondContact O-N 2.87Š|
| 716 | P | 44.2 | Very low | 36.3 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 125 | 178.3 | 30.3 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 717 | H | 34.1 | Very low | 36.5 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | | | trans | -113.9 | 135.5 | 160.3 | -89.6 | -90.5 | 0 | 0 | 0 | 109.7 | S715 | S715-H717 PolarHBondContact O-N 2.87Š|
| 718 | L | 35.4 | Very low | 36.8 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | | | trans | -84 | 132.2 | 178.9 | -70 | 160.6 | 0 | 0 | 0 | 110.3 | | |
| 719 | S | 35.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -129.9 | 125.4 | 165.6 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 720 | N | 33.4 | Very low | 36.8 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -76.5 | 131.7 | -179.8 | -78.2 | -8.1 | 0 | 0 | 0 | 110.9 | | |
| 721 | S | 37.1 | Very low | 36.8 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -103.3 | 111.9 | 157.7 | 41.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 722 | N | 32.3 | Very low | 37 | Very low | 72 Ų | 72 | 136 Ų | 136 | 39% | 0.385 | 78% | 0.775 | S | S | . | * | | | trans | -76.3 | 133.9 | 172.7 | -81.8 | -1.8 | 0 | 0 | 0 | 110.2 | I606 F608 | I606-N722 VanDerWaalsContact CG2-ND2 3.32Å; I606-N722 WeakPolarHBondContact CG2-ND2 3.49Å; F608-N722 HydrophobicContact CD2-CB 4.49Å; F608-N722 HydrophobicContact CE2-CB 3.94Å; F608-N722 WeakPolarHBondContact CE2-O 3.48Å |
| 723 | A | 38.6 | Very low | 37.1 | Very low | 102 Ų | 102 | 130 Ų | 130 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -141.3 | 123.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 724 | S | 33.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -93.3 | 125.3 | -172.8 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 725 | I | 38.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | -129.1 | 137 | 156.5 | -62 | -175.9 | 0 | 0 | 0 | 108.5 | | |
| 726 | V | 36.5 | Very low | 36.4 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | trans | -93.2 | 139.1 | -175.5 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 727 | L | 37.7 | Very low | 35.9 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -178.9 | 107 | 134.8 | -97.5 | 160.7 | 0 | 0 | 0 | 113.6 | | |
| 728 | Q | 37 | Very low | 36.7 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | trans | 23.9 | 132.4 | 138 | -67.4 | -173.3 | -9.9 | 0 | 0 | 122.7 | | |
| 729 | H | 37.2 | Very low | 37 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 40.7 | 128.9 | 138.1 | -55.8 | -70.7 | 0 | 0 | 0 | 120.2 | | |
| 730 | S | 36.1 | Very low | 36.9 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | cis | -160.6 | -146 | 3.1 | -108.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 731 | V | 38 | Very low | 38.1 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | | | cis | -152.9 | -149 | 16.4 | -147.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 732 | F | 37.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | -94.1 | 144.8 | -168 | -100.6 | -117.7 | 0 | 0 | 0 | 116.5 | | |
| 733 | S | 35.5 | Very low | 38.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | | | | -170.5 | 151.2 | 114.1 | -84.1 | 0 | 0 | 0 | 0 | 113.6 | S995 | S733-S995 WeakPolarHBondContact OG-CA 3.44Å; S733-S995 PolarHBondContact OG-N 3.17Å |
| 734 | Q | 35 | Very low | 38.3 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -123.2 | 152.5 | -171.4 | -60.8 | 172.4 | -24.7 | 0 | 0 | 112.1 | | |
| 735 | L | 36.5 | Very low | 38.4 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -163.7 | 163.9 | 141 | -123.2 | 74.6 | 0 | 0 | 0 | 107.9 | | |
| 736 | P | 36.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | -129.9 | 165.2 | -112.2 | 35.3 | -15.7 | 0 | 0 | 0 | 116.3 | | |
| 737 | S | 33.2 | Very low | 38.5 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 150 | 170.6 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 738 | P | 51.4 | Low | 38.8 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 146.7 | 172.4 | 29.9 | -34.7 | 0 | 0 | 0 | 112.1 | | |
| 739 | V | 40.6 | Very low | 39 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 144.2 | -171 | 175.7 | 0 | 0 | 0 | 0 | 112 | | |
| 740 | H | 34.5 | Very low | 39 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 129.2 | 171.7 | -91.1 | -88.7 | 0 | 0 | 0 | 112.3 | | |
| 741 | P | 57.7 | Low | 39.1 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 128.4 | 164.8 | 31.2 | -31.7 | 0 | 0 | 0 | 111 | | |
| 742 | T | 38.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 162.4 | 174.5 | 41.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 743 | K | 35.3 | Very low | 39.3 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.5 | -171.6 | -56.7 | 172.3 | -178.9 | 176.3 | 0 | 114.1 | | |
| 744 | T | 39.4 | Very low | 40.2 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | trans | -135.7 | 141.9 | 149.5 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 745 | H | 35.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -86.3 | 138.9 | -166 | -131 | -105.7 | 0 | 0 | 0 | 113.5 | | |
| 746 | R | 39.3 | Very low | 41.4 | Very low | 247 Ų | 247 | 144.3 Ų | 144.3 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | -155.4 | 137.8 | 145 | -153 | 165.5 | -175.1 | 131.2 | 1.8 | 111.7 | | |
| 747 | F | 37.1 | Very low | 42.4 | Very low | 150 Ų | 150 | 145 Ų | 145 | 66% | 0.658 | 81% | 0.813 | S | S | * | * | | | trans | -74.7 | 148.6 | 175 | -99.2 | -122.1 | 0 | 0 | 0 | 112 | | |
| 748 | E | 44.7 | Very low | 42.6 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -159 | 154.9 | 136.9 | -93.8 | -64 | 116.2 | 0 | 0 | 106 | | |
| 749 | Q | 41 | Very low | 41.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -103.6 | 156.9 | -161 | -73.8 | -178.9 | -30.2 | 0 | 0 | 116.5 | | |
| 750 | S | 37 | Very low | 42 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -76.5 | 149 | -174.3 | -35.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 751 | V | 37.6 | Very low | 42.1 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -135.9 | 132.8 | 155.7 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 752 | S | 39.6 | Very low | 41.4 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -94.2 | 179.8 | -166.8 | -59.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 753 | A | 40.9 | Very low | 41.2 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 152.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 754 | P | 52.5 | Low | 41.4 | Very low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 128.8 | 179.5 | 29 | -35 | 0 | 0 | 0 | 112.4 | | |
| 755 | P | 54.9 | Low | 41.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 149.3 | 179.6 | 31.2 | -35 | 0 | 0 | 0 | 113.2 | | |
| 756 | T | 42.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.3 | 170.8 | -50.3 | 0 | 0 | 0 | 0 | 110.3 | S758 | T756-S758 PolarHBondContact O-N 2.95Å; T756-S758 VanDerWaalsContact O-N 3.12Å |
| 757 | P | 56.6 | Low | 41 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -70 | 110.2 | -178.7 | 27.2 | -34.3 | 0 | 0 | 0 | 111.8 | | |
| 758 | S | 38 | Very low | 40.9 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -78.5 | 147.5 | 169.5 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | T756 | T756-S758 PolarHBondContact O-N 2.95Å; T756-S758 VanDerWaalsContact O-N 3.12Å |
| 759 | N | 35.6 | Very low | 40.4 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | -85.4 | 129.6 | -178.8 | -173.5 | 35.5 | 0 | 0 | 0 | 110.5 | | |
| 760 | V | 43.1 | Very low | 40.1 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -115.8 | 125.2 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 761 | Q | 37.3 | Very low | 40.3 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -97 | 109.8 | 170.5 | -76.8 | -177.1 | -91.9 | 0 | 0 | 111.3 | | |
| 762 | S | 42.1 | Very low | 40.3 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -155 | 147.2 | 154.7 | 52.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 763 | G | 34.2 | Very low | 40.5 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | cis | 129.1 | 122.5 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 764 | Q | 40.1 | Very low | 40.2 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 81.3 | 106 | 178.6 | -54 | -158.1 | 17.7 | 0 | 0 | 119.3 | | |
| 765 | N | 35.4 | Very low | 39.5 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | | | | 77 | 153.3 | 115.8 | -54.1 | -19.2 | 0 | 0 | 0 | 123.6 | | |
| 766 | F | 36.2 | Very low | 38.8 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | 76.6 | 87.6 | 158.6 | -63.4 | -60.9 | 0 | 0 | 0 | 122.4 | | |
| 767 | T | 34.4 | Very low | 38.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | | 67.6 | 132.9 | 121.1 | 50 | 0 | 0 | 0 | 0 | 123.5 | | |
| 768 | N | 34 | Very low | 38 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | trans | 66.7 | 141.5 | 152.8 | -49.2 | -16.9 | 0 | 0 | 0 | 116.7 | | |
| 769 | Y | 35.3 | Very low | 38.1 | Very low | 218 Ų | 218 | 137.3 Ų | 137.3 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | | | cis | -136.2 | 156.3 | 18.7 | -86.3 | -91.1 | 0 | 0 | 0 | 112.7 | | |
| 770 | L | 35.5 | Very low | 38.5 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -105 | 135.6 | 172.9 | -171 | 78.9 | 0 | 0 | 0 | 110.5 | | |
| 771 | H | 39.4 | Very low | 38.1 | Very low | 187 Ų | 187 | 136 Ų | 136 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -131.4 | 108.7 | 165.7 | -107.9 | -59.3 | 0 | 0 | 0 | 111.1 | | |
| 772 | Q | 39.1 | Very low | 38.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -125.3 | 156.6 | 152.3 | -86 | -164.5 | -4.5 | 0 | 0 | 108.7 | | |
| 773 | P | 42.1 | Very low | 38.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -96.1 | 157.2 | -164.9 | 36.6 | -35.7 | 0 | 0 | 0 | 114.5 | | |
| 774 | G | 35.3 | Very low | 38.5 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | | | trans | 91.4 | 79.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 775 | H | 37.4 | Very low | 38.3 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | | | trans | -90.1 | 149.8 | 161.7 | -77.8 | -84.2 | 0 | 0 | 0 | 111.9 | | |
| 776 | S | 40.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -140.9 | 110.6 | 148.6 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 777 | S | 39.8 | Very low | 38.5 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 25.4 | 141.7 | 135.4 | 53.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 778 | S | 42.7 | Very low | 38.7 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | 177.3 | 162.7 | 10 | 38 | 0 | 0 | 0 | 0 | 109.4 | | |
| 779 | S | 41.1 | Very low | 39.1 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | | | cis | -178.9 | 164.7 | -19.1 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 780 | L | 43.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 123.5 Ų | 123.5 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | | | trans | 72.8 | 145.3 | 169.8 | -54.3 | 163.2 | 0 | 0 | 0 | 115.7 | | |
| 781 | G | 35.9 | Very low | 39.2 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | cis | -155.3 | 175.5 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 782 | P | 45.9 | Very low | 38.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -113.2 | -150.4 | -167.3 | 43.3 | -33 | 0 | 0 | 0 | 113.5 | | |
| 783 | C | 37.1 | Very low | 38.6 | Very low | 116 Ų | 116 | 117 Ų | 117 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | 89.8 | 143 | 179 | -55.1 | 0 | 0 | 0 | 0 | 115 | | |
| 784 | S | 38.3 | Very low | 38.3 | Very low | 110 Ų | 110 | 120 Ų | 120 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | cis | -156.5 | 161.7 | -11.2 | -108.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 785 | S | 35.3 | Very low | 38.4 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -53.9 | 150.5 | 174.9 | 51.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 786 | S | 38.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -162.1 | 127.4 | 134 | -142.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 787 | S | 37.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 119.2 Ų | 119.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | | 62.7 | 139.5 | 70.6 | -41 | 0 | 0 | 0 | 0 | 114.2 | | |
| 788 | A | 38 | Very low | 37.7 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | cis | -159.2 | -127.8 | -18 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 789 | P | 42.4 | Very low | 37.2 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | | -128.5 | -163.5 | -123.7 | 38.5 | -17 | 0 | 0 | 0 | 115.8 | | |
| 790 | L | 35.6 | Very low | 36.8 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | trans | 80.9 | 158.5 | 168.6 | -54.6 | 155.7 | 0 | 0 | 0 | 114.9 | | |
| 791 | H | 37.2 | Very low | 36.2 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | cis | -137.1 | 172.2 | 10.5 | -146 | -82.2 | 0 | 0 | 0 | 113.1 | | |
| 792 | T | 32.3 | Very low | 36.2 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | -97.3 | 149.8 | -171.6 | 54.7 | 0 | 0 | 0 | 0 | 116 | | |
| 793 | S | 35.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -179.7 | 130.5 | 136.5 | -90 | 0 | 0 | 0 | 0 | 108.6 | | |
| 794 | Q | 34.8 | Very low | 35.1 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | | | | 66.2 | 87.8 | 55.3 | -74.5 | -156.9 | -7.5 | 0 | 0 | 116 | | |
| 795 | V | 37.7 | Very low | 35.2 | Very low | 132 Ų | 132 | 124 Ų | 124 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | trans | -162.2 | 107.3 | 132.9 | -179.2 | 0 | 0 | 0 | 0 | 104 | | |
| 796 | S | 32.1 | Very low | 35 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 65.7 | 135.3 | 79.5 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 797 | P | 35.6 | Very low | 35.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -90.6 | 148.4 | -168.3 | 35.6 | -35.6 | 0 | 0 | 0 | 113.7 | | |
| 798 | T | 35.4 | Very low | 34.8 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -131.4 | 119.6 | 174.1 | -48.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 799 | A | 30.5 | Very low | 34.5 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -100.8 | 131.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 800 | S | 33.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -147.2 | 123.1 | 168.1 | -169.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 801 | F | 30.3 | Very low | 33.7 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | | | | 68.4 | 136.1 | 51.9 | -70.4 | -76.3 | 0 | 0 | 0 | 114 | | |
| 802 | G | 35.8 | Very low | 33.3 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | trans | 118.6 | 70.1 | -163.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 803 | S | 30.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | | | cis | 82.3 | 99.1 | 23.8 | -56.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 804 | Y | 31.1 | Very low | 33.1 | Very low | 211 Ų | 211 | 125.5 Ų | 125.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 70.9 | 159.7 | 153.3 | -66.8 | -64.4 | 0 | 0 | 0 | 117.1 | | |
| 805 | P | 39.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | cis | -122.5 | 156.8 | 19.9 | 41.3 | -28 | 0 | 0 | 0 | 118.1 | | |
| 806 | S | 30.9 | Very low | 32.9 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | trans | -87.6 | 130.1 | 155.6 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 807 | P | 42.4 | Very low | 32.9 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | -84.3 | 112 | 163.5 | 31.1 | -28.5 | 0 | 0 | 0 | 109.9 | | |
| 808 | V | 29.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | | | trans | -91.1 | 157.6 | 164 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 809 | F | 30.7 | Very low | 32.4 | Very low | 202 Ų | 202 | 122.5 Ų | 122.5 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | | | trans | 71.5 | 132.1 | -177.2 | -53.6 | -88.7 | 0 | 0 | 0 | 115 | | |
| 810 | G | 31 | Very low | 32.5 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | cis | 153.7 | -165.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 811 | S | 30.1 | Very low | 32.7 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 86.5 | 122.3 | 164.2 | -51.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 812 | K | 30.3 | Very low | 32.7 | Very low | 190 Ų | 190 | 124.2 Ų | 124.2 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | | | trans | 74.6 | 115.4 | 144.4 | -61.1 | 158.7 | -169.3 | 176.6 | 0 | 116.3 | | |
| 813 | S | 29.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | | 88.9 | 139 | 87.6 | -156.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 814 | S | 33.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | -152 | 144.3 | 14.6 | -23.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 815 | V | 30.8 | Very low | 33 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | | | | 70.7 | 139.5 | 100.8 | 177.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 816 | P | 37.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | | | trans | -123.4 | 170.2 | -146.6 | 43.3 | -31.4 | 0 | 0 | 0 | 117.4 | | |
| 817 | S | 31.8 | Very low | 32.7 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -154.4 | 136 | 151.2 | 55.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 818 | S | 27.1 | Very low | 32 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | | | cis | 68 | 106.4 | 39.6 | -165.1 | 0 | 0 | 0 | 0 | 114 | | |
| 819 | V | 33 | Very low | 32.3 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | | -172.7 | 138.8 | 127.9 | 142.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 820 | R | 32.8 | Very low | 32.3 | Very low | 208 Ų | 208 | 124 Ų | 124 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -110.2 | 145 | 175.3 | -179.7 | -167.3 | -167.5 | -179.5 | 4.6 | 108.1 | | |
| 821 | P | 38.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | trans | -103.3 | 139.4 | 150.6 | -10.9 | 29.6 | 0 | 0 | 0 | 111.3 | | |
| 822 | S | 30.8 | Very low | 32.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 57% | 0.566 | 74% | 0.739 | S | S | * | * | | | trans | -154.3 | 129.4 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 823 | T | 36.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | | | trans | -144.4 | 122.7 | 165.9 | 44.1 | 0 | 0 | 0 | 0 | 104.4 | | |
| 824 | S | 31.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | | 59.9 | 133.1 | 72.3 | 86.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 825 | D | 33.5 | Very low | 32.7 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | cis | -152.3 | -177.8 | 32.7 | -85.8 | -77.4 | 0 | 0 | 0 | 110.4 | | |
| 826 | S | 29.9 | Very low | 32.9 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | | | cis | -177.8 | -177.8 | -34.4 | -83.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 827 | Y | 34.3 | Very low | 32.6 | Very low | 223 Ų | 223 | 130.7 Ų | 130.7 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | | | trans | 73.3 | 121.7 | -174.9 | -55.7 | -87.2 | 0 | 0 | 0 | 114.3 | | |
| 828 | S | 29.3 | Very low | 32.7 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | | | cis | 72 | 127.2 | 41 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 829 | S | 34.4 | Very low | 33 | Very low | 99 Ų | 99 | 129 Ų | 129 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | cis | -150.7 | 146.3 | 43.5 | -72 | 0 | 0 | 0 | 0 | 111.4 | | |
| 830 | Q | 31.3 | Very low | 32.7 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | | 57.1 | 139.9 | 83.1 | -79.9 | -176 | 96.7 | 0 | 0 | 114.6 | | |
| 831 | I | 32.7 | Very low | 32.9 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | cis | -158.8 | 167.6 | 21.7 | 10.2 | 168.5 | 0 | 0 | 0 | 113.3 | | |
| 832 | L | 32.8 | Very low | 32.4 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | 63.3 | 121.8 | 156.7 | -87.9 | 54.9 | 0 | 0 | 0 | 119.4 | | |
| 833 | T | 30.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 64% | 0.638 | 74% | 0.739 | S | S | * | * | | | | 60.4 | 144.7 | 78.9 | 74.5 | 0 | 0 | 0 | 0 | 116 | | |
| 834 | H | 32.9 | Very low | 31.9 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | cis | -143.6 | 167.9 | 17.7 | -93.9 | -74.7 | 0 | 0 | 0 | 112 | | |
| 835 | P | 34.1 | Very low | 32 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | trans | -97.2 | 148.9 | 179.5 | 37.2 | -33.1 | 0 | 0 | 0 | 114.7 | | |
| 836 | I | 35.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | | | trans | -138.2 | 147.1 | 164 | -63.4 | -174.8 | 0 | 0 | 0 | 110.3 | | |
| 837 | S | 31.8 | Very low | 31.7 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | trans | -75.3 | 161.3 | -170.9 | -46.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 838 | G | 32.9 | Very low | 31.5 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | | | trans | 150.8 | 89.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 839 | S | 33.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | | 107.4 | 118.5 | 68.9 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 840 | C | 28 | Very low | 31.5 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -66.3 | 171.1 | 165.6 | -51.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 841 | P | 35.7 | Very low | 31.4 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | cis | -118.2 | 170.8 | 35.8 | 18.5 | 6.8 | 0 | 0 | 0 | 112.9 | | |
| 842 | T | 29.8 | Very low | 31.3 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | cis | 73.9 | 143.2 | 35.4 | 67.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 843 | S | 28.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 75.4 | 140.6 | 158.2 | 39.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 844 | S | 28.3 | Very low | 31.6 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | 60.3 | 116.3 | 146.7 | 52.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 845 | I | 33.2 | Very low | 31.9 | Very low | 183 Ų | 183 | 120 Ų | 120 | 94% | 0.938 | 76% | 0.759 | S | S | * | * | | | trans | -115.8 | 116.4 | 140.5 | -60.5 | 176.5 | 0 | 0 | 0 | 106.8 | | |
| 846 | S | 28.5 | Very low | 31.6 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | -131.3 | 159.3 | 177.3 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 847 | S | 29.8 | Very low | 31.6 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -87.8 | 131.3 | -164.1 | 55 | 0 | 0 | 0 | 0 | 115.9 | | |
| 848 | V | 30 | Very low | 31.4 | Very low | 137 Ų | 137 | 118.2 Ų | 118.2 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | -146.6 | 127 | 152 | -162.7 | 0 | 0 | 0 | 0 | 104.8 | | |
| 849 | V | 31.4 | Very low | 31.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | | | cis | 90.1 | 145.2 | 33.2 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 850 | S | 30.3 | Very low | 31.1 | Very low | 90 Ų | 90 | 122.6 Ų | 122.6 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | | | trans | 71.1 | 144.4 | 179.8 | -68.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 851 | E | 31.1 | Very low | 31.1 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | cis | -171.7 | -178.1 | -18.3 | -123 | 168.9 | 104.6 | 0 | 0 | 108.6 | | |
| 852 | A | 30.1 | Very low | 30.8 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | | | cis | -160.5 | -168.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 853 | I | 34.4 | Very low | 30.9 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 79.3 | 104.8 | 157.8 | -51.8 | -180 | 0 | 0 | 0 | 116.2 | | |
| 854 | V | 33.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | cis | 82.7 | 129.3 | 48.4 | 171.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 855 | P | 39.8 | Very low | 31.4 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -149.3 | -173.5 | -19.2 | 40.8 | -20.7 | 0 | 0 | 0 | 117.4 | | |
| 856 | S | 29 | Very low | 31.2 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | | | trans | 87.9 | 137.4 | 133.1 | -85.7 | 0 | 0 | 0 | 0 | 123 | | |
| 857 | K | 34.2 | Very low | 31.4 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 80% | 0.796 | 74% | 0.736 | S | S | * | * | | | trans | 73.3 | 112.6 | 156.6 | -63.4 | 158.1 | -172.9 | 175 | 0 | 116 | | |
| 858 | S | 28.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | cis | 78.5 | 98.9 | 29.8 | 92.7 | 0 | 0 | 0 | 0 | 116 | | |
| 859 | F | 31 | Very low | 32.1 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | | | | 179.7 | 121.9 | 123.1 | -111.4 | -119 | 0 | 0 | 0 | 106.1 | | |
| 860 | C | 28.1 | Very low | 32.2 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | | 89.8 | 116.9 | 56 | -73.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 861 | Q | 28.9 | Very low | 32.3 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | 68.2 | 148.5 | 151.7 | -63.8 | 163 | -12 | 0 | 0 | 116.9 | | |
| 862 | A | 29.1 | Very low | 32.3 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | | | cis | -148 | 151.2 | -10.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 863 | L | 32.1 | Very low | 32.4 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | | 51.1 | 147 | 65.3 | -75.5 | 174.1 | 0 | 0 | 0 | 114.2 | | |
| 864 | P | 37.3 | Very low | 32.2 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | | | cis | -139.9 | -158.3 | -6.4 | 27.5 | -0.7 | 0 | 0 | 0 | 114 | | |
| 865 | V | 29.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | trans | 82.2 | 110.1 | 158.9 | -169.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 866 | L | 29.4 | Very low | 31.5 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | cis | 90.3 | 117 | 37.2 | -176.9 | 84.6 | 0 | 0 | 0 | 113.8 | | |
| 867 | M | 32.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | trans | -156.5 | 154 | 134.7 | -107.7 | -65.5 | 98.2 | 0 | 0 | 112.3 | | |
| 868 | E | 33.3 | Very low | 31.5 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -108.6 | -166.7 | -171.8 | -124 | -160.6 | 122.5 | 0 | 0 | 109.7 | | |
| 869 | P | 39.8 | Very low | 31.8 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | | | cis | -131.2 | -175.6 | -18.2 | 35.9 | -17.6 | 0 | 0 | 0 | 113.5 | | |
| 870 | T | 34.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | | 179 | 130.2 | 119.2 | -71.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 871 | T | 32.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -44.9 | 163.1 | 169.3 | 50.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 872 | C | 30.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | | | cis | -168.3 | -166.1 | 15.9 | -130.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 873 | P | 32.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | | | | -112.9 | -179.5 | -85.7 | 37.7 | -19 | 0 | 0 | 0 | 113.2 | | |
| 874 | V | 29.4 | Very low | 33 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -176 | 154 | 138 | 137.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 875 | Q | 28.4 | Very low | 32.6 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -86.9 | 137.1 | -175.6 | -62.9 | 158.8 | -33.9 | 0 | 0 | 112.2 | | |
| 876 | A | 30.9 | Very low | 32.6 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -143.6 | 107.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V878 | A876-V878 PolarHBondContact O-N 3.17Š|
| 877 | T | 28.8 | Very low | 33 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -84.5 | 105.8 | -176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 878 | V | 34.9 | Very low | 32.7 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 121.6 | 168.9 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | A876 | A876-V878 PolarHBondContact O-N 3.17Š|
| 879 | K | 33.1 | Very low | 32.9 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 118.9 | 178.5 | -64.7 | 178.7 | 179.7 | 178.8 | 0 | 110 | | |
| 880 | S | 29.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 158.3 | 167 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 881 | V | 35.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.3 | -178.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | S883 | V881-S883 PolarHBondContact O-N 3.24Å; V881-S883 VanDerWaalsContact O-N 3.09Å |
| 882 | P | 37.3 | Very low | 32.5 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 107.2 | 171.6 | 27.9 | -35 | 0 | 0 | 0 | 110.9 | | |
| 883 | S | 32.3 | Very low | 32.5 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -72.8 | 139.4 | 163.9 | 48.6 | 0 | 0 | 0 | 0 | 110.2 | V881 | V881-S883 PolarHBondContact O-N 3.24Å; V881-S883 VanDerWaalsContact O-N 3.09Å |
| 884 | L | 39 | Very low | 32.6 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | -60.6 | 139.2 | 169.5 | -90.1 | 69.1 | 0 | 0 | 0 | 110.3 | T886 | L884-T886 PolarHBondContact O-N 3.35Å; L884-T886 PolarHBondContact O-OG1 3.34Å |
| 885 | D | 30 | Very low | 32.6 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -64 | 82.1 | 174.2 | -84.7 | -48.8 | 0 | 0 | 0 | 111.3 | I887 | D885-I887 PolarHBondContact O-N 3.34Š|
| 886 | T | 30.1 | Very low | 32.7 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -71.7 | 119.1 | 169.5 | -58.4 | 0 | 0 | 0 | 0 | 107.9 | L884 S888 | L884-T886 PolarHBondContact O-N 3.35Å; L884-T886 PolarHBondContact O-OG1 3.34Å; T886-S888 PolarHBondContact O-N 3.17Å |
| 887 | I | 36.9 | Very low | 32.9 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | | | trans | -65 | 98.8 | 178.6 | -60.7 | 176.7 | 0 | 0 | 0 | 108.6 | D885 I889 | D885-I887 PolarHBondContact O-N 3.34Å; I887-I889 HydrophobicContact CG2-CG1 4.41Å; I887-I889 PolarHBondContact O-N 3.06Å |
| 888 | S | 26.1 | Very low | 33 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -71.5 | 91.2 | -178.9 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | T886 S890 | T886-S888 PolarHBondContact O-N 3.17Å; S888-S890 PolarHBondContact O-N 2.91Å |
| 889 | I | 38.2 | Very low | 33 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -74.8 | 103.1 | 167.9 | -56.7 | 178.2 | 0 | 0 | 0 | 106.9 | I887 | I887-I889 HydrophobicContact CG2-CG1 4.41Å; I887-I889 PolarHBondContact O-N 3.06Å |
| 890 | S | 32.7 | Very low | 33.1 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | | | trans | -60.1 | 134.1 | -175.4 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | S888 L892 | S888-S890 PolarHBondContact O-N 2.91Å; S890-L892 PolarHBondContact O-N 2.71Å; S890-L892 VanDerWaalsContact O-N 3.17Å |
| 891 | P | 30.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 113.5 | -179.2 | 27.5 | -34 | 0 | 0 | 0 | 110.9 | T893 | P891-T893 VanDerWaalsContact C-N 3.3Å; P891-T893 PolarHBondContact O-N 2.62Å |
| 892 | L | 35.8 | Very low | 33.2 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | trans | -80.8 | 72 | 178.5 | -78.1 | 171.8 | 0 | 0 | 0 | 112 | S890 S894 | S890-L892 PolarHBondContact O-N 2.71Å; S890-L892 VanDerWaalsContact O-N 3.17Å; L892-S894 PolarHBondContact O-N 3.18Å |
| 893 | T | 30.5 | Very low | 32.9 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -73.4 | 68.6 | 173.1 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | P891 | P891-T893 VanDerWaalsContact C-N 3.3Å; P891-T893 PolarHBondContact O-N 2.62Å |
| 894 | S | 34.5 | Very low | 33 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -156.7 | 39.4 | 177.1 | 46.3 | 0 | 0 | 0 | 0 | 116.1 | L892 S896 | L892-S894 PolarHBondContact O-N 3.18Å; S894-S896 PolarHBondContact O-N 2.94Å |
| 895 | V | 28.6 | Very low | 32.8 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -75.5 | 70.5 | 167.9 | -80.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 896 | S | 30.8 | Very low | 33 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -149.1 | 83.4 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | S894 | S894-S896 PolarHBondContact O-N 2.94Š|
| 897 | S | 35.1 | Very low | 33.5 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | 171.8 | 52.6 | 156.8 | 43.9 | 0 | 0 | 0 | 0 | 113.8 | T899 | S897-T899 PolarHBondContact O-N 3.13Š|
| 898 | V | 30.8 | Very low | 33.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -75.2 | 56.8 | 175.8 | -168.4 | 0 | 0 | 0 | 0 | 112 | | |
| 899 | T | 35.6 | Very low | 34.3 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -167.8 | 82.1 | 169.8 | 20 | 0 | 0 | 0 | 0 | 111.2 | S897 | S897-T899 PolarHBondContact O-N 3.13Š|
| 900 | K | 35.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | | | trans | -164.3 | -3.1 | 165.8 | -113.6 | 146.2 | -171 | 173.4 | 0 | 119.2 | | |
| 901 | L | 33.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -108.4 | 33 | -173.2 | -90.9 | 164.4 | 0 | 0 | 0 | 115.7 | | |
| 902 | L | 33.6 | Very low | 35.2 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | trans | -127.3 | 47.2 | 169.4 | -77.1 | 175.7 | 0 | 0 | 0 | 112.2 | | |
| 903 | T | 31.4 | Very low | 35.8 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | trans | -130.5 | 65.8 | 172.5 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 904 | S | 34.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -87.7 | 142.2 | 156.6 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 905 | N | 34.8 | Very low | 37.4 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -66.6 | 160.6 | -162.9 | -79.2 | -18 | 0 | 0 | 0 | 115.4 | | |
| 906 | S | 32.8 | Very low | 39.2 | Very low | 86 Ų | 86 | 141.9 Ų | 141.9 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | | | trans | -44.5 | 155.5 | 166.7 | 47 | 0 | 0 | 0 | 0 | 112.9 | | |
| 907 | H | 41.5 | Very low | 41.5 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | cis | -144.5 | 164.5 | 42.7 | -69.4 | -98.8 | 0 | 0 | 0 | 115.7 | | |
| 908 | Q | 42.3 | Very low | 43.7 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | 67.2 | 67.2 | 161.2 | -69.3 | -178.1 | 2.8 | 0 | 0 | 119.7 | | |
| 909 | S | 37.7 | Very low | 46.3 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | | 41 | 112.1 | 119.9 | 55.7 | 0 | 0 | 0 | 0 | 121 | | |
| 910 | R | 41.6 | Very low | 48.7 | Very low | 250 Ų | 250 | 133 Ų | 133 | 94% | 0.943 | 72% | 0.715 | S | S | * | * | | | trans | -157.1 | 113.6 | 133.6 | -113.7 | 173.6 | -170.3 | -158.7 | 2.4 | 112 | S912 | R910-S912 PolarHBondContact O-N 3Š|
| 911 | S | 39.6 | Very low | 51 | Low | 125 Ų | 125 | 127.2 Ų | 127.2 | 87% | 0.874 | 69% | 0.693 | S | S | * | * | | | trans | -68.6 | 117.9 | 179.9 | -45.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 912 | S | 38.2 | Very low | 53.5 | Low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | | | trans | -99.1 | 98.2 | 176.5 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | R910 T914 | R910-S912 PolarHBondContact O-N 3Å; S912-T914 PolarHBondContact O-N 3.4Å |
| 913 | T | 49.3 | Very low | 56 | Low | 125 Ų | 125 | 119 Ų | 119 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | | | trans | -68.3 | 99.1 | 176.2 | -50.7 | 0 | 0 | 0 | 0 | 111 | T915 | T913-T915 PolarHBondContact O-N 2.75Š|
| 914 | T | 44 | Very low | 58.6 | Low | 110 Ų | 110 | 117 Ų | 117 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | | | trans | -85.9 | 102.7 | 171.3 | -68.6 | 0 | 0 | 0 | 0 | 109.7 | S912 R916 | S912-T914 PolarHBondContact O-N 3.4Å; T914-R916 HydrophobicContact CG2-CB 4.41Å; T914-R916 PolarHBondContact O-N 3.09Å; T914-R916 VanDerWaalsContact O-N 3.13Å |
| 915 | T | 55 | Low | 61.1 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | | | trans | -79.9 | 90 | 171.7 | -50.1 | 0 | 0 | 0 | 0 | 109.7 | T913 | T913-T915 PolarHBondContact O-N 2.75Š|
| 916 | R | 66.8 | Low | 63.6 | Low | 185 Ų | 185 | 109.7 Ų | 109.7 | 70% | 0.698 | 60% | 0.603 | S | S | * | * | | | trans | -102.9 | 131.6 | 167.1 | -156.4 | 176.1 | -170.1 | -168 | 0.3 | 107.9 | T914 | T914-R916 HydrophobicContact CG2-CB 4.41Å; T914-R916 PolarHBondContact O-N 3.09Å; T914-R916 VanDerWaalsContact O-N 3.13Å |
| 917 | A | 77.9 | Confident | 66.2 | Low | 54 Ų | 54 | 112.2 Ų | 112.2 | 45% | 0.446 | 61% | 0.606 | S | S | . | * | | | trans | -87.7 | 139.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q945 L947 | A917-Q945 CarbonylContact C-O 3.56Å; A917-Q945 VanDerWaalsContact CA-O 3.25Å; A917-Q945 WeakPolarHBondContact CA-O 3.45Å; A917-L947 HydrophobicContact CB-CD1 4.21Å |
| 918 | F | 81.8 | Confident | 68.5 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 33% | 0.329 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.1 | 175.6 | -60.7 | -90.5 | 0 | 0 | 0 | 108.9 | V920 L932 Q945 F946 L947 | F918-V920 HydrophobicContact CB-CG2 4.36Å; F918-L932 HydrophobicContact CD1-CD1 4.3Å; F918-L932 HydrophobicContact CD2-CD1 4.1Å; F918-L932 HydrophobicContact CE1-CD1 4.16Å; F918-L932 HydrophobicContact CE1-CD2 4.23Å; F918-L932 HydrophobicContact CE2-CD1 3.96Å; F918-L932 HydrophobicContact CG-CD1 4.28Å; F918-L932 HydrophobicContact CZ-CD1 3.98Å; F918-L932 HydrophobicContact CZ-CD2 4.13Å; F918-Q945 PolarHBondContact N-O 3.12Å; F918-F946 HydrophobicContact CB-CD1 3.87Å; F918-F946 HydrophobicContact CB-CE1 4.04Å; F918-F946 HydrophobicContact CG-CE1 4.47Å; F918-F946 CarbonylContact O-C 3.03Å; F918-F946 WeakPolarHBondContact O-CA 3.47Å; F918-L947 PolarHBondContact O-N 3.29Å |
| 919 | F | 85.3 | Confident | 70.7 | Confident | 143 Ų | 143 | 98 Ų | 98 | 63% | 0.627 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.6 | 167.4 | -68.8 | -88.3 | 0 | 0 | 0 | 107.8 | L947 I949 | F919-L947 WeakPolarHBondContact CA-O 3.23Å; F919-L947 HydrophobicContact CD1-CB 3.61Å; F919-L947 HydrophobicContact CD1-CD1 4.3Å; F919-L947 HydrophobicContact CE1-CB 3.67Å; F919-L947 HydrophobicContact CE1-CD1 3.59Å; F919-L947 HydrophobicContact CE1-CG 4.25Å; F919-L947 HydrophobicContact CE2-CD1 4.27Å; F919-L947 HydrophobicContact CG-CB 4.34Å; F919-L947 HydrophobicContact CZ-CB 4.42Å; F919-L947 HydrophobicContact CZ-CD1 3.57Å; F919-I949 HydrophobicContact CB-CD1 4.03Å; F919-I949 HydrophobicContact CB-CG1 4.46Å; F919-I949 HydrophobicContact CD1-CD1 4.3Å; F919-I949 HydrophobicContact CD1-CG1 4.27Å |
| 920 | V | 84.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 95.4 Ų | 95.4 | 14% | 0.139 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 139 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | F918 N924 A928 F946 L947 L948 I949 | F918-V920 HydrophobicContact CB-CG2 4.36Å; V920-N924 HydrophobicContact CG1-CB 4.01Å; V920-A928 HydrophobicContact CB-CB 4.48Å; V920-A928 HydrophobicContact CG1-CB 3.84Å; V920-A928 HydrophobicContact CG2-CB 3.79Å; V920-F946 HydrophobicContact CB-CD1 4.31Å; V920-F946 HydrophobicContact CG2-CD1 3.63Å; V920-F946 HydrophobicContact CG2-CE1 3.96Å; V920-L947 PolarHBondContact N-O 3.25Å; V920-L948 WeakPolarHBondContact O-CA 3.47Å; V920-I949 PolarHBondContact O-N 3.05Å |
| 921 | D | 85.3 | Confident | 75.4 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 35% | 0.353 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 148.8 | 174.6 | -69.4 | -57.9 | 0 | 0 | 0 | 111.5 | D923 N924 I949 | D921-D923 PolarHBondContact O-N 2.85Å; D921-N924 PolarHBondContact O-N 2.78Å; D921-I949 WeakPolarHBondContact CA-O 3.49Å; D921-I949 WeakPolarHBondContact OD1-CG2 3.42Å |
| 922 | G | 85.9 | Confident | 77.8 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 38% | 0.381 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -49.7 | -37.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I949 | G922-I949 PolarHBondContact N-O 2.87Š|
| 923 | D | 85.4 | Confident | 80.2 | Confident | 138 Ų | 138 | 84.4 Ų | 84.4 | 74% | 0.738 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -81 | -23.8 | -174.5 | -48.4 | -61.5 | 0 | 0 | 0 | 112.8 | D921 | D921-D923 PolarHBondContact O-N 2.85Š|
| 924 | N | 85.5 | Confident | 82.1 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -99.8 | 5 | -173.2 | -64.7 | -17.1 | 0 | 0 | 0 | 113.9 | V920 D921 S926 E927 A928 | V920-N924 HydrophobicContact CG1-CB 4.01Å; D921-N924 PolarHBondContact O-N 2.78Å; N924-S926 VanDerWaalsContact C-N 3.32Å; N924-S926 PolarHBondContact O-N 2.91Å; N924-E927 PolarHBondContact O-N 3Å; N924-A928 PolarHBondContact O-N 2.73Å |
| 925 | L | 86.7 | Confident | 84.4 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -56.5 | -42.9 | -177.5 | 179.1 | 64.3 | 0 | 0 | 0 | 112.7 | A928 V929 F946 L948 | L925-A928 PolarHBondContact O-N 2.9Å; L925-V929 HydrophobicContact CD1-CG2 4.28Å; L925-V929 VanDerWaalsContact O-CG2 3.31Å; L925-V929 WeakPolarHBondContact O-CG2 3.47Å; L925-V929 PolarHBondContact O-N 3.49Å; L925-F946 HydrophobicContact CD1-CB 3.71Å; L925-F946 HydrophobicContact CD1-CD1 3.79Å; L925-F946 HydrophobicContact CD1-CD2 3.76Å; L925-F946 HydrophobicContact CD1-CE1 4.32Å; L925-F946 HydrophobicContact CD1-CE2 4.29Å; L925-F946 HydrophobicContact CD1-CG 3.46Å; L925-F946 VanDerWaalsContact CD1-CG 3.46Å; L925-L948 HydrophobicContact CB-CD2 4.02Å; L925-L948 HydrophobicContact CD1-CD2 4.23Å; L925-L948 HydrophobicContact CD2-CD2 4.01Å; L925-L948 HydrophobicContact CG-CD2 4.29Å |
| 926 | S | 87.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 81 Ų | 81 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | -177.3 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | N924 V929 A930 | N924-S926 VanDerWaalsContact C-N 3.32Å; N924-S926 PolarHBondContact O-N 2.91Å; S926-V929 PolarHBondContact O-N 3.28Å; S926-A930 WeakPolarHBondContact O-CB 3.44Å; S926-A930 PolarHBondContact O-N 3.4Å |
| 927 | E | 88.5 | Confident | 87 | Confident | 140 Ų | 140 | 77.8 Ų | 77.8 | 65% | 0.654 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.4 | -45.5 | 177.1 | -173.9 | 179.6 | -171.2 | 0 | 0 | 111.1 | N924 V929 A930 F931 | N924-E927 PolarHBondContact O-N 3Å; E927-V929 VanDerWaalsContact C-N 3.29Å; E927-V929 PolarHBondContact O-N 3.2Å; E927-A930 PolarHBondContact O-N 3.4Å; E927-A930 VanDerWaalsContact O-N 3.14Å; E927-F931 WeakPolarHBondContact O-CB 3.37Å; E927-F931 PolarHBondContact O-N 2.91Å |
| 928 | A | 88.2 | Confident | 87.4 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 17% | 0.165 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V920 N924 L925 L932 F946 | V920-A928 HydrophobicContact CB-CB 4.48Å; V920-A928 HydrophobicContact CG1-CB 3.84Å; V920-A928 HydrophobicContact CG2-CB 3.79Å; N924-A928 PolarHBondContact O-N 2.73Å; L925-A928 PolarHBondContact O-N 2.9Å; A928-L932 WeakPolarHBondContact O-CB 3.21Å; A928-L932 WeakPolarHBondContact O-CD1 3.37Å; A928-L932 VanDerWaalsContact O-CG 3.29Å; A928-L932 WeakPolarHBondContact O-CG 3.34Å; A928-L932 PolarHBondContact O-N 2.76Å; A928-L932 VanDerWaalsContact O-N 3.13Å; A928-F946 HydrophobicContact CB-CE1 4.03Å |
| 929 | V | 88.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 171.7 | 169.3 | 0 | 0 | 0 | 0 | 111 | L925 S926 E927 F931 L932 Q933 F946 | L925-V929 HydrophobicContact CD1-CG2 4.28Å; L925-V929 VanDerWaalsContact O-CG2 3.31Å; L925-V929 WeakPolarHBondContact O-CG2 3.47Å; L925-V929 PolarHBondContact O-N 3.49Å; S926-V929 PolarHBondContact O-N 3.28Å; E927-V929 VanDerWaalsContact C-N 3.29Å; E927-V929 PolarHBondContact O-N 3.2Å; V929-F931 PolarHBondContact O-N 3.29Å; V929-L932 PolarHBondContact O-N 3.38Å; V929-Q933 HydrophobicContact CG1-CG 4.42Å; V929-Q933 WeakPolarHBondContact O-CB 3.35Å; V929-Q933 VanDerWaalsContact O-CG 3.29Å; V929-Q933 WeakPolarHBondContact O-CG 3.48Å; V929-Q933 PolarHBondContact O-N 3.21Å; V929-F946 HydrophobicContact CG2-CD2 4.39Å; V929-F946 HydrophobicContact CG2-CE2 3.53Å; V929-F946 HydrophobicContact CG2-CZ 3.62Å |
| 930 | A | 88.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 82 Ų | 82 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S926 E927 Q933 S934 | S926-A930 WeakPolarHBondContact O-CB 3.44Å; S926-A930 PolarHBondContact O-N 3.4Å; E927-A930 PolarHBondContact O-N 3.4Å; E927-A930 VanDerWaalsContact O-N 3.14Å; A930-Q933 PolarHBondContact O-N 2.93Å; A930-S934 PolarHBondContact O-N 3.05Å |
| 931 | F | 89.9 | Confident | 86.7 | Confident | 123 Ų | 123 | 82.4 Ų | 82.4 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.4 | 178.8 | -104.1 | 0 | 0 | 0 | 112.6 | E927 V929 Q933 S934 L935 | E927-F931 WeakPolarHBondContact O-CB 3.37Å; E927-F931 PolarHBondContact O-N 2.91Å; V929-F931 PolarHBondContact O-N 3.29Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.04Å; F931-S934 PolarHBondContact O-N 3.29Å; F931-S934 PolarHBondContact O-OG 3.45Å; F931-L935 HydrophobicContact CD1-CD1 4.04Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CG 4.4Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.75Å; F931-L935 HydrophobicContact CZ-CG 4.3Å; F931-L935 WeakPolarHBondContact O-CG 3.45Å; F931-L935 PolarHBondContact O-N 3.4Å; F931-L935 VanDerWaalsContact O-N 3.11Å |
| 932 | L | 89.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.188 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -68.6 | -29.7 | 176.4 | -71.6 | 170.3 | 0 | 0 | 0 | 112.1 | F918 A928 V929 N936 I941 F946 | F918-L932 HydrophobicContact CD1-CD1 4.3Å; F918-L932 HydrophobicContact CD2-CD1 4.1Å; F918-L932 HydrophobicContact CE1-CD1 4.16Å; F918-L932 HydrophobicContact CE1-CD2 4.23Å; F918-L932 HydrophobicContact CE2-CD1 3.96Å; F918-L932 HydrophobicContact CG-CD1 4.28Å; F918-L932 HydrophobicContact CZ-CD1 3.98Å; F918-L932 HydrophobicContact CZ-CD2 4.13Å; A928-L932 WeakPolarHBondContact O-CB 3.21Å; A928-L932 WeakPolarHBondContact O-CD1 3.37Å; A928-L932 VanDerWaalsContact O-CG 3.29Å; A928-L932 WeakPolarHBondContact O-CG 3.34Å; A928-L932 PolarHBondContact O-N 2.76Å; A928-L932 VanDerWaalsContact O-N 3.13Å; V929-L932 PolarHBondContact O-N 3.38Å; L932-N936 PolarHBondContact O-N 3.27Å; L932-I941 HydrophobicContact CB-CD1 3.53Å; L932-I941 HydrophobicContact CB-CG1 4.3Å; L932-I941 WeakPolarHBondContact O-CD1 3.38Å; L932-F946 HydrophobicContact CD1-CE1 4.03Å; L932-F946 HydrophobicContact CD1-CZ 3.88Å |
| 933 | Q | 88.4 | Confident | 86 | Confident | 92 Ų | 92 | 88 Ų | 88 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.2 | -37.4 | 172.8 | -75.3 | 177 | -7.7 | 0 | 0 | 112.8 | V929 A930 F931 N936 P937 I941 | V929-Q933 HydrophobicContact CG1-CG 4.42Å; V929-Q933 WeakPolarHBondContact O-CB 3.35Å; V929-Q933 VanDerWaalsContact O-CG 3.29Å; V929-Q933 WeakPolarHBondContact O-CG 3.48Å; V929-Q933 PolarHBondContact O-N 3.21Å; A930-Q933 PolarHBondContact O-N 2.93Å; F931-Q933 VanDerWaalsContact C-N 3.29Å; F931-Q933 PolarHBondContact O-N 3.04Å; Q933-N936 CarbonylContact O-C 3.54Å; Q933-N936 PolarHBondContact O-N 3.27Å; Q933-P937 VanDerWaalsContact O-CA 3.32Å; Q933-P937 WeakPolarHBondContact O-CA 3.47Å; Q933-I941 HydrophobicContact CB-CD1 4.47Å; Q933-I941 HydrophobicContact CG-CD1 3.76Å |
| 934 | S | 90.5 | Very high | 85.7 | Confident | 87 Ų | 87 | 90.2 Ų | 90.2 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.3 | -36.9 | 177.2 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | A930 F931 N936 | A930-S934 PolarHBondContact O-N 3.05Å; F931-S934 PolarHBondContact O-N 3.29Å; F931-S934 PolarHBondContact O-OG 3.45Å; S934-N936 VanDerWaalsContact C-N 3.27Å; S934-N936 PolarHBondContact O-N 2.95Å |
| 935 | L | 90.7 | Very high | 85.5 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.5 | -28.6 | 172.1 | -72.7 | 177.3 | 0 | 0 | 0 | 113.5 | F931 | F931-L935 HydrophobicContact CD1-CD1 4.04Å; F931-L935 HydrophobicContact CE1-CD1 3.52Å; F931-L935 HydrophobicContact CE1-CG 4.4Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.75Å; F931-L935 HydrophobicContact CZ-CG 4.3Å; F931-L935 WeakPolarHBondContact O-CG 3.45Å; F931-L935 PolarHBondContact O-N 3.4Å; F931-L935 VanDerWaalsContact O-N 3.11Å |
| 936 | N | 87.5 | Confident | 85.3 | Confident | 80 Ų | 80 | 87.8 Ų | 87.8 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | | | trans | -154.1 | 92.1 | 175.5 | -172.8 | -12.4 | 0 | 0 | 0 | 111.8 | L932 Q933 S934 K938 A939 | L932-N936 PolarHBondContact O-N 3.27Å; Q933-N936 CarbonylContact O-C 3.54Å; Q933-N936 PolarHBondContact O-N 3.27Å; S934-N936 VanDerWaalsContact C-N 3.27Å; S934-N936 PolarHBondContact O-N 2.95Å; N936-K938 PolarHBondContact O-N 3.36Å; N936-K938 PolarHBondContact OD1-N 3.35Å; N936-K938 VanDerWaalsContact OD1-N 3.07Å; N936-A939 HydrophobicContact CB-CB 3.9Å; N936-A939 WeakPolarHBondContact O-CB 3.48Å; N936-A939 PolarHBondContact O-N 2.91Å; N936-A939 PolarHBondContact OD1-N 2.91Å |
| 937 | P | 89.3 | Confident | 85 | Confident | 117 Ų | 117 | 87.5 Ų | 87.5 | 76% | 0.76 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 0.8 | -179 | 26.3 | -35.1 | 0 | 0 | 0 | 114.2 | Q933 | Q933-P937 VanDerWaalsContact O-CA 3.32Å; Q933-P937 WeakPolarHBondContact O-CA 3.47Å |
| 938 | K | 87.3 | Confident | 84.7 | Confident | 194 Ų | 194 | 85.6 Ų | 85.6 | 84% | 0.843 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -0.3 | 171 | -61.8 | -178.8 | -179.6 | 177.7 | 0 | 112.8 | N936 | N936-K938 PolarHBondContact O-N 3.36Å; N936-K938 PolarHBondContact OD1-N 3.35Å; N936-K938 VanDerWaalsContact OD1-N 3.07Å |
| 939 | A | 80.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 88.2 Ų | 88.2 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | | | trans | -86.8 | 110.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | N936 I941 | N936-A939 HydrophobicContact CB-CB 3.9Å; N936-A939 WeakPolarHBondContact O-CB 3.48Å; N936-A939 PolarHBondContact O-N 2.91Å; N936-A939 PolarHBondContact OD1-N 2.91Å; A939-I941 HydrophobicContact CB-CD1 4.07Å; A939-I941 HydrophobicContact CB-CG1 4.22Å; A939-I941 PolarHBondContact O-N 2.98Å |
| 940 | T | 79.2 | Confident | 83.4 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | | | trans | -74.2 | 74.6 | 171.3 | 39.9 | 0 | 0 | 0 | 0 | 111 | | |
| 941 | I | 78 | Confident | 81.8 | Confident | 31 Ų | 31 | 89.4 Ų | 89.4 | 16% | 0.159 | 48% | 0.479 | C | S | . | . | | | trans | -66.7 | 129.5 | 173.2 | -64.5 | 136.8 | 0 | 0 | 0 | 108.8 | L932 Q933 A939 F946 | L932-I941 HydrophobicContact CB-CD1 3.53Å; L932-I941 HydrophobicContact CB-CG1 4.3Å; L932-I941 WeakPolarHBondContact O-CD1 3.38Å; Q933-I941 HydrophobicContact CB-CD1 4.47Å; Q933-I941 HydrophobicContact CG-CD1 3.76Å; A939-I941 HydrophobicContact CB-CD1 4.07Å; A939-I941 HydrophobicContact CB-CG1 4.22Å; A939-I941 PolarHBondContact O-N 2.98Å; I941-F946 HydrophobicContact CG2-CE2 3.54Å; I941-F946 HydrophobicContact CG2-CZ 3.83Å |
| 942 | T | 81.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | | | trans | -117.9 | 147 | -178.7 | 54 | 0 | 0 | 0 | 0 | 109.7 | Q944 Q945 | T942-Q944 PolarHBondContact O-N 3.2Å; T942-Q945 WeakPolarHBondContact O-CB 3.45Å; T942-Q945 PolarHBondContact O-N 3.04Å |
| 943 | Q | 75.3 | Confident | 78.8 | Confident | 152 Ų | 152 | 94.2 Ų | 94.2 | 71% | 0.71 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -54.3 | -26.2 | 177.5 | -72.7 | 177.6 | -20 | 0 | 0 | 113 | Q945 F946 | Q943-Q945 PolarHBondContact O-N 3.36Å; Q943-Q945 VanDerWaalsContact O-N 3.15Å; Q943-F946 PolarHBondContact O-N 2.97Å |
| 944 | Q | 78.5 | Confident | 77.3 | Confident | 186 Ų | 186 | 99.5 Ų | 99.5 | 87% | 0.869 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -64.9 | -11.2 | 175 | -60 | -178.6 | 8 | 0 | 0 | 114.5 | T942 | T942-Q944 PolarHBondContact O-N 3.2Š|
| 945 | Q | 80.6 | Confident | 74.9 | Confident | 38 Ų | 38 | 97.9 Ų | 97.9 | 18% | 0.178 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -89.5 | -4.1 | 173.9 | -67.9 | 167.5 | -40.9 | 0 | 0 | 112.9 | A917 F918 T942 Q943 | A917-Q945 CarbonylContact C-O 3.56Å; A917-Q945 VanDerWaalsContact CA-O 3.25Å; A917-Q945 WeakPolarHBondContact CA-O 3.45Å; F918-Q945 PolarHBondContact N-O 3.12Å; T942-Q945 WeakPolarHBondContact O-CB 3.45Å; T942-Q945 PolarHBondContact O-N 3.04Å; Q943-Q945 PolarHBondContact O-N 3.36Å; Q943-Q945 VanDerWaalsContact O-N 3.15Å |
| 946 | F | 82.5 | Confident | 72.6 | Confident | 17 Ų | 17 | 101.5 Ų | 101.5 | 8% | 0.075 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.4 | 177.6 | -61.2 | -88.9 | 0 | 0 | 0 | 111.5 | F918 V920 L925 A928 V929 L932 I941 Q943 | F918-F946 HydrophobicContact CB-CD1 3.87Å; F918-F946 HydrophobicContact CB-CE1 4.04Å; F918-F946 HydrophobicContact CG-CE1 4.47Å; F918-F946 CarbonylContact O-C 3.03Å; F918-F946 WeakPolarHBondContact O-CA 3.47Å; V920-F946 HydrophobicContact CB-CD1 4.31Å; V920-F946 HydrophobicContact CG2-CD1 3.63Å; V920-F946 HydrophobicContact CG2-CE1 3.96Å; L925-F946 HydrophobicContact CD1-CB 3.71Å; L925-F946 HydrophobicContact CD1-CD1 3.79Å; L925-F946 HydrophobicContact CD1-CD2 3.76Å; L925-F946 HydrophobicContact CD1-CE1 4.32Å; L925-F946 HydrophobicContact CD1-CE2 4.29Å; L925-F946 HydrophobicContact CD1-CG 3.46Å; L925-F946 VanDerWaalsContact CD1-CG 3.46Å; A928-F946 HydrophobicContact CB-CE1 4.03Å; V929-F946 HydrophobicContact CG2-CD2 4.39Å; V929-F946 HydrophobicContact CG2-CE2 3.53Å; V929-F946 HydrophobicContact CG2-CZ 3.62Å; L932-F946 HydrophobicContact CD1-CE1 4.03Å; L932-F946 HydrophobicContact CD1-CZ 3.88Å; I941-F946 HydrophobicContact CG2-CE2 3.54Å; I941-F946 HydrophobicContact CG2-CZ 3.83Å; Q943-F946 PolarHBondContact O-N 2.97Å |
| 947 | L | 82.4 | Confident | 70.3 | Confident | 90 Ų | 90 | 104.8 Ų | 104.8 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 102.5 | 167.3 | -76.6 | 165.5 | 0 | 0 | 0 | 107.4 | A917 F918 F919 V920 I949 | A917-L947 HydrophobicContact CB-CD1 4.21Å; F918-L947 PolarHBondContact O-N 3.29Å; F919-L947 WeakPolarHBondContact CA-O 3.23Å; F919-L947 HydrophobicContact CD1-CB 3.61Å; F919-L947 HydrophobicContact CD1-CD1 4.3Å; F919-L947 HydrophobicContact CE1-CB 3.67Å; F919-L947 HydrophobicContact CE1-CD1 3.59Å; F919-L947 HydrophobicContact CE1-CG 4.25Å; F919-L947 HydrophobicContact CE2-CD1 4.27Å; F919-L947 HydrophobicContact CG-CB 4.34Å; F919-L947 HydrophobicContact CZ-CB 4.42Å; F919-L947 HydrophobicContact CZ-CD1 3.57Å; V920-L947 PolarHBondContact N-O 3.25Å; L947-I949 PolarHBondContact O-N 2.98Å |
| 948 | L | 81.6 | Confident | 67.8 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 121.7 | -178.8 | -69.8 | 161.8 | 0 | 0 | 0 | 110.3 | V920 L925 | V920-L948 WeakPolarHBondContact O-CA 3.47Å; L925-L948 HydrophobicContact CB-CD2 4.02Å; L925-L948 HydrophobicContact CD1-CD2 4.23Å; L925-L948 HydrophobicContact CD2-CD2 4.01Å; L925-L948 HydrophobicContact CG-CD2 4.29Å |
| 949 | I | 79.9 | Confident | 65.4 | Low | 76 Ų | 76 | 104 Ų | 104 | 39% | 0.39 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 125.9 | 167.1 | -62.1 | -178.8 | 0 | 0 | 0 | 107.5 | F919 V920 D921 G922 L947 G951 | F919-I949 HydrophobicContact CB-CD1 4.03Å; F919-I949 HydrophobicContact CB-CG1 4.46Å; F919-I949 HydrophobicContact CD1-CD1 4.3Å; F919-I949 HydrophobicContact CD1-CG1 4.27Å; V920-I949 PolarHBondContact O-N 3.05Å; D921-I949 WeakPolarHBondContact CA-O 3.49Å; D921-I949 WeakPolarHBondContact OD1-CG2 3.42Å; G922-I949 PolarHBondContact N-O 2.87Å; L947-I949 PolarHBondContact O-N 2.98Å; I949-G951 PolarHBondContact O-N 2.81Å |
| 950 | P | 69.7 | Low | 63.1 | Low | 91 Ų | 91 | 107.3 Ų | 107.3 | 59% | 0.591 | 58% | 0.579 | S | S | * | * | | | trans | -68.4 | 112.9 | 172.5 | -17.4 | 31.5 | 0 | 0 | 0 | 109.6 | S955 | P950-S955 PolarHBondContact O-OG 3.01Š|
| 951 | G | 55.7 | Low | 61 | Low | 17 Ų | 17 | 112.5 Ų | 112.5 | 18% | 0.175 | 58% | 0.584 | C | S | . | * | | | trans | -50.2 | 142.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | I949 N953 K954 S955 | I949-G951 PolarHBondContact O-N 2.81Å; G951-N953 PolarHBondContact O-N 3.34Å; G951-K954 PolarHBondContact O-N 3.11Å; G951-S955 PolarHBondContact O-OG 3.31Å |
| 952 | A | 57.1 | Low | 59 | Low | 96 Ų | 96 | 114.9 Ų | 114.9 | 79% | 0.793 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -52.3 | -26.9 | -167 | 0 | 0 | 0 | 0 | 0 | 114.7 | K954 S955 | A952-K954 PolarHBondContact O-N 3.08Å; A952-K954 VanDerWaalsContact O-N 3.11Å; A952-S955 WeakPolarHBondContact CA-OG 3.4Å |
| 953 | N | 59.8 | Low | 56.8 | Low | 165 Ų | 165 | 117.4 Ų | 117.4 | 88% | 0.882 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -69.4 | -2.6 | -179.7 | -142.4 | -9.1 | 0 | 0 | 0 | 114.4 | G951 | G951-N953 PolarHBondContact O-N 3.34Š|
| 954 | K | 56 | Low | 55.4 | Low | 202 Ų | 202 | 116 Ų | 116 | 88% | 0.878 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -136.4 | 3 | 177.9 | -66.6 | -178.2 | -178.4 | 167.4 | 0 | 115 | G951 A952 | G951-K954 PolarHBondContact O-N 3.11Å; A952-K954 PolarHBondContact O-N 3.08Å; A952-K954 VanDerWaalsContact O-N 3.11Å |
| 955 | S | 41.4 | Very low | 53.4 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 37% | 0.371 | 63% | 0.626 | S | S | . | * | | | trans | -112.5 | 76 | -170.5 | 40.7 | 0 | 0 | 0 | 0 | 113.7 | P950 G951 A952 M957 | P950-S955 PolarHBondContact O-OG 3.01Å; G951-S955 PolarHBondContact O-OG 3.31Å; A952-S955 WeakPolarHBondContact CA-OG 3.4Å; S955-M957 PolarHBondContact O-N 3.3Å |
| 956 | Q | 41.6 | Very low | 51.1 | Low | 192 Ų | 192 | 116.9 Ų | 116.9 | 90% | 0.897 | 65% | 0.651 | S | S | * | * | | | trans | -68.7 | 59.5 | 163.3 | -70 | -170.4 | 0.4 | 0 | 0 | 111.9 | I958 | Q956-I958 PolarHBondContact O-N 3.1Š|
| 957 | M | 38.2 | Very low | 48.9 | Very low | 149 Ų | 149 | 121.5 Ų | 121.5 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | | | trans | -87.8 | 90.2 | 175.3 | -165.4 | -179.5 | 73.4 | 0 | 0 | 109.9 | S955 L959 | S955-M957 PolarHBondContact O-N 3.3Å; M957-L959 HydrophobicContact CE-CD1 4.42Å; M957-L959 HydrophobicContact CE-CG 4.36Å; M957-L959 PolarHBondContact O-N 2.84Å |
| 958 | I | 37.8 | Very low | 46.6 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | | | trans | -62.3 | 103 | 177.6 | -53.5 | 177 | 0 | 0 | 0 | 109.4 | Q956 C960 | Q956-I958 PolarHBondContact O-N 3.1Å; I958-C960 PolarHBondContact O-N 3.22Å |
| 959 | L | 36.2 | Very low | 44.4 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 81% | 0.806 | 71% | 0.713 | S | S | * | * | | | trans | -75.3 | 75.4 | 172.1 | -104.8 | 164 | 0 | 0 | 0 | 109.5 | M957 R961 | M957-L959 HydrophobicContact CE-CD1 4.42Å; M957-L959 HydrophobicContact CE-CG 4.36Å; M957-L959 PolarHBondContact O-N 2.84Å; L959-R961 PolarHBondContact O-N 3.31Å |
| 960 | C | 32.1 | Very low | 42.3 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | | | trans | -54 | 109.9 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | I958 A962 | I958-C960 PolarHBondContact O-N 3.22Å; C960-A962 PolarHBondContact O-N 3.29Å |
| 961 | R | 35.6 | Very low | 40.6 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.8 | 173.2 | -163.7 | 178.3 | -169.6 | 115.9 | -5 | 108 | L959 | L959-R961 PolarHBondContact O-N 3.31Š|
| 962 | A | 35.4 | Very low | 39.6 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | C960 V964 | C960-A962 PolarHBondContact O-N 3.29Å; A962-V964 PolarHBondContact O-N 3.5Å |
| 963 | P | 36.7 | Very low | 38.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 132.4 | 179.8 | 26.2 | -33.8 | 0 | 0 | 0 | 110 | T965 | P963-T965 PolarHBondContact O-N 2.93Š|
| 964 | V | 43.9 | Very low | 37.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 117.7 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | A962 C966 | A962-V964 PolarHBondContact O-N 3.5Å; V964-C966 VanDerWaalsContact C-N 3.33Å; V964-C966 PolarHBondContact O-N 3.14Å |
| 965 | T | 38.1 | Very low | 36.1 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | | | trans | -76.1 | 84.2 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | P963 S967 | P963-T965 PolarHBondContact O-N 2.93Å; T965-S967 PolarHBondContact O-N 2.72Å |
| 966 | C | 32.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | | | trans | -69.7 | 114.8 | 169.5 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | V964 | V964-C966 VanDerWaalsContact C-N 3.33Å; V964-C966 PolarHBondContact O-N 3.14Å |
| 967 | S | 35.3 | Very low | 35.5 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -81.6 | 117.6 | 170.4 | -167.3 | 0 | 0 | 0 | 0 | 109 | T965 | T965-S967 PolarHBondContact O-N 2.72Š|
| 968 | S | 34.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -97.3 | 105.6 | -179.1 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 969 | E | 34.9 | Very low | 35.2 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -122.7 | 96.3 | 165 | -71.9 | -161 | 129.8 | 0 | 0 | 111.8 | | |
| 970 | I | 37.1 | Very low | 35 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | 49.2 | 95.1 | 132.9 | -52.7 | 160.3 | 0 | 0 | 0 | 115.9 | | |
| 971 | M | 34 | Very low | 35 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -75 | 144.7 | 150.2 | -69.3 | -177.8 | 70 | 0 | 0 | 109.9 | | |
| 972 | S | 33.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | | | trans | -99.1 | 149 | 171 | -168.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 973 | S | 31 | Very low | 34.9 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -119.5 | 135.6 | -169.3 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 974 | V | 35.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | trans | -146.3 | 119.4 | 158.8 | -175.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 975 | S | 33 | Very low | 34.2 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | | | cis | 96.5 | 99.5 | 14.4 | 92.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 976 | M | 35.6 | Very low | 34.1 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | | | trans | -164.7 | 127.4 | 149.6 | -87.4 | -53.3 | 97 | 0 | 0 | 105.7 | | |
| 977 | Q | 34.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | | 73 | 144.1 | 70.5 | -71.2 | -162.5 | 11.6 | 0 | 0 | 113.2 | | |
| 978 | T | 35.2 | Very low | 34 | Very low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | cis | -165.7 | 163.3 | 3.5 | 19.5 | 0 | 0 | 0 | 0 | 108 | | |
| 979 | S | 33.4 | Very low | 33.9 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | cis | -170.7 | 149.7 | -4.9 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 980 | V | 32 | Very low | 33.7 | Very low | 142 Ų | 142 | 133 Ų | 133 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -136.1 | 108.1 | 151.7 | -156.3 | 0 | 0 | 0 | 0 | 104.9 | | |
| 981 | S | 33 | Very low | 33.4 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | | 61.1 | 121.9 | 72.5 | -141 | 0 | 0 | 0 | 0 | 111.1 | | |
| 982 | V | 34 | Very low | 33.5 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | cis | -135.9 | 152.3 | 17.5 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 983 | S | 34.3 | Very low | 33.6 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | -52.1 | 178.2 | 164.5 | 27.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 984 | H | 32.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | | | cis | -165 | 158.8 | -11.7 | -106.6 | -49.6 | 0 | 0 | 0 | 108.1 | | |
| 985 | A | 34.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | | 153.5 | 141.4 | 125.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 986 | N | 35.7 | Very low | 33.5 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | | | trans | 59.8 | 109.1 | 146.6 | -66.9 | -8 | 0 | 0 | 0 | 124.4 | | |
| 987 | L | 34.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | | 66.2 | 94.3 | 119.2 | -65.5 | 164.5 | 0 | 0 | 0 | 121.5 | | |
| 988 | T | 31.1 | Very low | 33.5 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | | 35.8 | 116.1 | 120.2 | 58.7 | 0 | 0 | 0 | 0 | 121 | | |
| 989 | S | 32.4 | Very low | 33.6 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | | | | -176.3 | 164.9 | 116.3 | -162.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 990 | W | 29.8 | Very low | 33.7 | Very low | 244 Ų | 244 | 129.5 Ų | 129.5 | 92% | 0.924 | 74% | 0.737 | S | S | * | * | | | trans | -82 | 147.6 | -177.6 | -61.5 | -67.5 | 0 | 0 | 0 | 114.1 | | |
| 991 | S | 30.6 | Very low | 34 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | | | | 159.2 | 156.4 | 97.1 | 62.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 992 | K | 35.7 | Very low | 34.3 | Very low | 179 Ų | 179 | 128 Ų | 128 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | | | trans | 64.2 | 153.1 | 151 | -79.1 | 178 | 178.5 | 176.9 | 0 | 121.2 | | |
| 993 | N | 35.7 | Very low | 34.7 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | trans | 67.5 | 160.1 | 154 | -68.5 | 4.5 | 0 | 0 | 0 | 118.5 | | |
| 994 | V | 32.9 | Very low | 34.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | | | cis | 174.5 | 106.7 | -42 | 139.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 995 | S | 32 | Very low | 35.4 | Very low | 49 Ų | 49 | 127.1 Ų | 127.1 | 34% | 0.343 | 74% | 0.736 | S | S | . | * | | | trans | 74.1 | 155.4 | 137.5 | 82 | 0 | 0 | 0 | 0 | 122.4 | S733 | S733-S995 WeakPolarHBondContact OG-CA 3.44Å; S733-S995 PolarHBondContact OG-N 3.17Å |
| 996 | H | 33.3 | Very low | 35.7 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | | | trans | 80 | 119.9 | 139 | -68.9 | -21.6 | 0 | 0 | 0 | 117.3 | | |
| 997 | I | 35.4 | Very low | 35.8 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 61% | 0.605 | 74% | 0.738 | S | S | * | * | | | | 97.7 | 128.3 | 65.4 | -84.6 | 176.7 | 0 | 0 | 0 | 110.3 | T999 | I997-T999 HydrophobicContact CG2-CG2 3.35Š|
| 998 | T | 34.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | | | trans | -164.6 | 155.9 | 137.5 | 38.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 999 | T | 39 | Very low | 36.4 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | | 167.4 | 122.5 | -56.6 | 34 | 0 | 0 | 0 | 0 | 108.8 | I997 | I997-T999 HydrophobicContact CG2-CG2 3.35Š|
| 1000 | S | 34.6 | Very low | 36.6 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | trans | -164.5 | 139.7 | 154.8 | 39.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1001 | S | 37.9 | Very low | 36.9 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | | | cis | -159.1 | 154.9 | -1 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1002 | T | 40.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | | | trans | 56.9 | 109.5 | 143.4 | 54.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1003 | T | 41.9 | Very low | 36.9 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | | 103.1 | 148.8 | 92.2 | 49 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1004 | S | 39.2 | Very low | 36.9 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | | | cis | -173.9 | 142.8 | -17.2 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1005 | V | 43.2 | Very low | 37 | Very low | 154 Ų | 154 | 119.4 Ų | 119.4 | 93% | 0.933 | 73% | 0.728 | S | S | * | * | | | trans | 66.1 | 144.1 | 159.3 | -180 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1006 | G | 40.5 | Very low | 37.3 | Very low | 65 Ų | 65 | 126.4 Ų | 126.4 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | cis | -169 | -177.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1007 | N | 37.5 | Very low | 37.5 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | trans | -86.8 | 157.2 | -166.8 | -59.6 | -34.7 | 0 | 0 | 0 | 115.5 | | |
| 1008 | T | 39.8 | Very low | 38.1 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | | 178 | 157 | 105.6 | 30.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1009 | H | 38.5 | Very low | 38.4 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | -12.6 | 136.8 | 165.7 | -72.3 | -106 | 0 | 0 | 0 | 119.8 | | |
| 1010 | I | 36.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | | | | 62.2 | 113.9 | 66.8 | -57.3 | 167.3 | 0 | 0 | 0 | 113.8 | | |
| 1011 | T | 35.6 | Very low | 38.7 | Very low | 133 Ų | 133 | 127 Ų | 127 | 82% | 0.816 | 76% | 0.759 | S | S | * | * | | | | 179.4 | 154.6 | 123.5 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1012 | V | 31.7 | Very low | 38.7 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -98.5 | 149.3 | -178.5 | 175 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1013 | S | 34.1 | Very low | 38.4 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -154.5 | 141.9 | 150.2 | -81.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1014 | T | 36 | Very low | 38.5 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | | | trans | -101.7 | 172.6 | 174.2 | 52 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1015 | S | 36.5 | Very low | 38.5 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | | 159.4 | 162.4 | 112.7 | 56.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1016 | F | 36.6 | Very low | 38.1 | Very low | 197 Ų | 197 | 127 Ų | 127 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | | | trans | 80.1 | 148 | 158.4 | -64.2 | -62.1 | 0 | 0 | 0 | 123.3 | | |
| 1017 | V | 38.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | trans | -152 | 147.7 | -168.3 | 172.8 | 0 | 0 | 0 | 0 | 108 | | |
| 1018 | P | 47.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -143.2 | 171.5 | 145.7 | 38.6 | -24.9 | 0 | 0 | 0 | 114.5 | | |
| 1019 | N | 40.2 | Very low | 38.1 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | | | | -166.9 | 139.5 | -56.2 | -122.5 | 63.7 | 0 | 0 | 0 | 110.1 | | |
| 1020 | D | 39.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | 61.2 | 163.2 | 160.4 | -48.7 | -40.9 | 0 | 0 | 0 | 117.7 | | |
| 1021 | V | 41.1 | Very low | 38.2 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | | | cis | -143.5 | 174 | 32.4 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1022 | S | 37.8 | Very low | 38.2 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -109.1 | 171.7 | -160.4 | 58.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1023 | L | 34.2 | Very low | 38.5 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -14.3 | 156.6 | 156 | -109.8 | 70.9 | 0 | 0 | 0 | 119.7 | | |
| 1024 | P | 44.3 | Very low | 38.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | | -161.4 | 149.6 | 69.6 | 41.4 | -18.8 | 0 | 0 | 0 | 122.8 | | |
| 1025 | T | 38.5 | Very low | 38.4 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 64.7 | 132.4 | 125.4 | -52.7 | 0 | 0 | 0 | 0 | 127.4 | | |
| 1026 | S | 35.7 | Very low | 38.1 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | 74 | 162 | 154.9 | 68.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1027 | V | 39.8 | Very low | 37.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | cis | -148.9 | 124.8 | 22.4 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1028 | T | 38.4 | Very low | 37.7 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | | 72.1 | 119.8 | 94.6 | -39.3 | 0 | 0 | 0 | 0 | 120 | | |
| 1029 | E | 38.6 | Very low | 37.1 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | trans | 58.7 | 133.8 | 155.7 | -83.3 | -172.4 | -147.5 | 0 | 0 | 121.1 | | |
| 1030 | R | 39.4 | Very low | 36.8 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | cis | -166.7 | 157.2 | 48.2 | -71.3 | -166.8 | 173.5 | 149.3 | 4.8 | 115.6 | | |
| 1031 | N | 38.3 | Very low | 36.9 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | 55.7 | 123.3 | 142.7 | -68.1 | 5.4 | 0 | 0 | 0 | 126 | | |
| 1032 | S | 36.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | | 81.3 | 107.4 | 126.8 | 65.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 1033 | T | 37.4 | Very low | 36.5 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | 64.9 | 143.1 | 140.3 | 39.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1034 | S | 36.3 | Very low | 36.5 | Very low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | -162.8 | 168.6 | 2.8 | 40.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1035 | C | 31.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | trans | 72.6 | 75.1 | 158.7 | -62.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1036 | T | 31.5 | Very low | 35.8 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | | 33.5 | 137.8 | 126.9 | 52.8 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1037 | S | 31.1 | Very low | 35.7 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | 82.3 | 102.6 | 148.4 | 67.2 | 0 | 0 | 0 | 0 | 120 | | |
| 1038 | Y | 34.4 | Very low | 35.5 | Very low | 214 Ų | 214 | 153.6 Ų | 153.6 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -154.5 | 127.6 | 157.5 | -108.4 | -88.9 | 0 | 0 | 0 | 107.9 | | |
| 1039 | F | 35.2 | Very low | 35.2 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | | -180 | 147.8 | 104.1 | -113.2 | -76.7 | 0 | 0 | 0 | 112.1 | | |
| 1040 | E | 34.6 | Very low | 35.1 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -119.7 | -149.7 | -175.8 | -147.6 | -164.3 | 120.2 | 0 | 0 | 111 | | |
| 1041 | P | 40.1 | Very low | 34.8 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | -101.9 | 168.2 | -134.2 | 41 | -30.6 | 0 | 0 | 0 | 115.2 | | |
| 1042 | Y | 36.8 | Very low | 34.7 | Very low | 239 Ų | 239 | 150.2 Ų | 150.2 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | | | trans | -96.7 | 147 | 170.8 | -101.2 | -89.1 | 0 | 0 | 0 | 112.9 | | |
| 1043 | R | 35.1 | Very low | 34.7 | Very low | 228 Ų | 228 | 150.9 Ų | 150.9 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -134.4 | 139.9 | -178.4 | -154.4 | -168.9 | -160.6 | -157.9 | 7.7 | 110.2 | | |
| 1044 | S | 33.6 | Very low | 34.8 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | | | trans | 60.5 | 137 | 147.8 | 54.5 | 0 | 0 | 0 | 0 | 123 | | |
| 1045 | N | 34.8 | Very low | 35 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | 89.7 | 115.3 | 142.1 | -63.5 | -2 | 0 | 0 | 0 | 123 | | |
| 1046 | N | 32.4 | Very low | 35.4 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -2.8 | 142.4 | 139.7 | -46.2 | -14.5 | 0 | 0 | 0 | 119 | | |
| 1047 | F | 34 | Very low | 35.7 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | | | | -179.1 | 171 | 100 | -114.4 | -86.3 | 0 | 0 | 0 | 114.1 | | |
| 1048 | Y | 35.4 | Very low | 35.8 | Very low | 219 Ų | 219 | 153 Ų | 153 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | 76.7 | 149.8 | 165.7 | -73.2 | -71.5 | 0 | 0 | 0 | 121.4 | | |
| 1049 | A | 32.3 | Very low | 36.2 | Very low | 88 Ų | 88 | 148.8 Ų | 148.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -141.2 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1050 | T | 37.1 | Very low | 36.3 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | | | trans | -158.6 | 164.3 | 170.4 | -12.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1051 | Q | 32.9 | Very low | 36.4 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -114.3 | 160.5 | -163.7 | -59.6 | 168.1 | -43 | 0 | 0 | 114.5 | | |
| 1052 | C | 36.8 | Very low | 36.2 | Very low | 120 Ų | 120 | 150 Ų | 150 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 179 | 120.5 | 141.3 | -89.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1053 | S | 36.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 72.6 | 133.9 | 70.1 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1054 | S | 39.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | cis | -176.5 | 168.5 | -12.7 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1055 | D | 39 | Very low | 36.3 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | cis | -131.1 | -118.3 | 1.4 | -154.3 | 56 | 0 | 0 | 0 | 111.7 | | |
| 1056 | S | 39.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | cis | -150.8 | 137.3 | 1.5 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1057 | S | 37.5 | Very low | 36.1 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | | | trans | 29.9 | 119.2 | 164.2 | 56.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1058 | F | 34.3 | Very low | 36.1 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 80% | 0.803 | 81% | 0.805 | S | S | * | * | | | | 68 | 147.3 | 59.3 | -72.9 | -62.8 | 0 | 0 | 0 | 115.7 | K1060 | F1058-K1060 HydrophobicContact CD1-CB 4.45Š|
| 1059 | P | 42.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | cis | -133.1 | -170.6 | 27 | 39 | -19.9 | 0 | 0 | 0 | 116.5 | | |
| 1060 | K | 38.3 | Very low | 36.5 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | cis | 170.5 | 113.5 | -44.3 | 178.4 | -175.1 | -179.5 | -179.4 | 0 | 110.6 | F1058 | F1058-K1060 HydrophobicContact CD1-CB 4.45Š|
| 1061 | L | 35.2 | Very low | 36.1 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -159.2 | 158.1 | 153.1 | -138.2 | 69.9 | 0 | 0 | 0 | 114.9 | | |
| 1062 | M | 37.5 | Very low | 36.2 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | | | trans | -49.3 | 149.6 | -170.5 | -58.8 | -56.9 | -175.5 | 0 | 0 | 117.3 | | |
| 1063 | K | 33.2 | Very low | 36.1 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | cis | 91.8 | 103.6 | 38.8 | -102.8 | -163.4 | 176.6 | -169.5 | 0 | 115.7 | | |
| 1064 | T | 38.1 | Very low | 36.1 | Very low | 133 Ų | 133 | 150 Ų | 150 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -161.7 | 103.6 | 148.4 | 38.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1065 | S | 35 | Very low | 35.7 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | | 83.4 | 114.9 | 75.1 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1066 | E | 30.6 | Very low | 35.5 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -59.2 | 153.4 | 168.3 | -68.7 | 166.3 | 94.5 | 0 | 0 | 111.7 | | |
| 1067 | L | 33.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -133 | 92.3 | 171 | -125.6 | 169.5 | 0 | 0 | 0 | 110.8 | I1069 | L1067-I1069 PolarHBondContact O-N 3.09Š|
| 1068 | Q | 33.6 | Very low | 35 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | | | trans | -76.9 | 110.9 | 176 | -173.9 | -180 | 22.3 | 0 | 0 | 109.2 | P1070 | Q1068-P1070 WeakPolarHBondContact O-CD 3.45Š|
| 1069 | I | 39.5 | Very low | 35.1 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | | | trans | -86.7 | 117.2 | -177.9 | -59.4 | 177.6 | 0 | 0 | 0 | 110.3 | L1067 | L1067-I1069 PolarHBondContact O-N 3.09Š|
| 1070 | P | 35.7 | Very low | 34.6 | Very low | 109 Ų | 109 | 157.9 Ų | 157.9 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | trans | -83.1 | 157.6 | 178.5 | 34.4 | -35.3 | 0 | 0 | 0 | 112.6 | Q1068 | Q1068-P1070 WeakPolarHBondContact O-CD 3.45Š|
| 1071 | R | 30.6 | Very low | 34.6 | Very low | 254 Ų | 254 | 156.4 Ų | 156.4 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | | | trans | -102.7 | 115.3 | 170.8 | -77.7 | 179.1 | 169.3 | 149.9 | -4.4 | 111.3 | | |
| 1072 | S | 35 | Very low | 34.6 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | trans | -150.3 | 114.3 | 158.3 | 52.8 | 0 | 0 | 0 | 0 | 108 | | |
| 1073 | L | 34.8 | Very low | 34.4 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | | | | 51.1 | 112.7 | 82.8 | -82.8 | 168.7 | 0 | 0 | 0 | 113.5 | | |
| 1074 | V | 35.7 | Very low | 34.6 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | | -168.2 | 150.2 | 116.4 | 141.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1075 | Y | 31 | Very low | 34.6 | Very low | 190 Ų | 190 | 149 Ų | 149 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | | | trans | -31.4 | 147.6 | 175.7 | -82.3 | -109.9 | 0 | 0 | 0 | 118.4 | K1077 | Y1075-K1077 HydrophobicContact CD1-CG 4.36Š|
| 1076 | S | 34.9 | Very low | 34.5 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | | | | -142.9 | 135.7 | 124.1 | -84.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1077 | K | 35.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | | | trans | -74.4 | 146.3 | -175.5 | -67.4 | 172.5 | 174.9 | 175.3 | 0 | 111.1 | Y1075 | Y1075-K1077 HydrophobicContact CD1-CG 4.36Š|
| 1078 | S | 30 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -66 | 145.1 | 157.8 | 42 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1079 | L | 37.4 | Very low | 34.6 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -131.1 | 146.6 | 171.8 | -117.4 | 172.5 | 0 | 0 | 0 | 110.2 | | |
| 1080 | N | 31.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | | | trans | -92.2 | 134 | -165 | -170.1 | 26.5 | 0 | 0 | 0 | 111 | | |
| 1081 | V | 37.4 | Very low | 34.8 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | | | trans | -136.1 | 133.7 | 165.8 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1082 | S | 36.4 | Very low | 34.8 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -86.3 | 164.7 | -163.5 | -53.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1083 | S | 31.7 | Very low | 34.9 | Very low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -61.2 | 145.4 | 172.6 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1084 | S | 39.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -143.4 | 136 | 149.5 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1085 | N | 37.6 | Very low | 35 | Very low | 171 Ų | 171 | 138 Ų | 138 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | | | trans | -78.9 | 145.7 | -178 | -59.2 | -37.5 | 0 | 0 | 0 | 111.7 | | |
| 1086 | G | 33.5 | Very low | 35.2 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -170.1 | 141.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1087 | S | 35.3 | Very low | 35.2 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -112.3 | 166.8 | -163.6 | 62.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1088 | S | 31.8 | Very low | 35.9 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | 71.6 | 120.4 | 147.9 | 44.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1089 | S | 31.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | | | trans | 62.1 | 118.8 | 143.8 | 58.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1090 | P | 42.9 | Very low | 36 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 166.7 | 138.5 | 35.5 | -31.3 | 0 | 0 | 0 | 111.7 | | |
| 1091 | L | 36.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 158.3 | -167.1 | -76.3 | 139.6 | 0 | 0 | 0 | 115.2 | | |
| 1092 | N | 31.4 | Very low | 35.9 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.2 | 171.1 | -73.1 | -46.9 | 0 | 0 | 0 | 112.7 | | |
| 1093 | I | 37 | Very low | 35.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | -137.9 | 94.2 | 148.6 | -58.7 | -176.7 | 0 | 0 | 0 | 106.2 | | |
| 1094 | L | 33.6 | Very low | 35.8 | Very low | 149 Ų | 149 | 135.4 Ų | 135.4 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | | 67.4 | 89.3 | 92.9 | -88.1 | 167.4 | 0 | 0 | 0 | 115.4 | | |
| 1095 | I | 37.4 | Very low | 35.6 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -131.5 | 142.8 | 140.4 | -61.6 | -175.1 | 0 | 0 | 0 | 107.1 | | |
| 1096 | S | 35.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | -100.7 | 136.1 | -161 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1097 | H | 34.3 | Very low | 35.1 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -98.3 | 139.6 | 159.3 | -69.1 | -83.9 | 0 | 0 | 0 | 111.1 | K1099 | H1097-K1099 PolarHBondContact O-N 3.2Š|
| 1098 | P | 50.7 | Low | 34.9 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -79 | 106.5 | 162.3 | 31.2 | -30.2 | 0 | 0 | 0 | 110.3 | | |
| 1099 | K | 34.4 | Very low | 35.3 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -75.4 | 143.8 | 163.1 | -98.6 | -166.1 | 172.2 | -167.9 | 0 | 109.7 | H1097 E1102 | H1097-K1099 PolarHBondContact O-N 3.2Å; K1099-E1102 IonicContact NZ-OE2 3.61Å; K1099-E1102 PolarHBondContact NZ-OE2 2.91Å |
| 1100 | A | 35.8 | Very low | 35.3 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | trans | -133.2 | 110.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1101 | L | 36.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | 36.6 | 112.6 | 171.4 | -87.7 | 63.7 | 0 | 0 | 0 | 119.8 | | |
| 1102 | E | 29.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | -68.8 | 149.3 | 142.9 | -70 | 148.2 | 96.8 | 0 | 0 | 110.4 | K1099 | K1099-E1102 IonicContact NZ-OE2 3.61Å; K1099-E1102 PolarHBondContact NZ-OE2 2.91Å |
| 1103 | A | 35.9 | Very low | 34.3 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | | | trans | -145.6 | 119.9 | 160 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1104 | S | 30.4 | Very low | 34.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -112.2 | 126.2 | -165.1 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1105 | S | 34.5 | Very low | 34.3 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -172.6 | 118.1 | 155.6 | 53.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1106 | E | 28.8 | Very low | 33.9 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | | | | 47.9 | 79.9 | 55.5 | -65.5 | -156.7 | 135.1 | 0 | 0 | 113.6 | | |
| 1107 | C | 32.8 | Very low | 33.8 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | trans | -172.1 | 122.8 | 133.1 | -110.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1108 | A | 31.1 | Very low | 33.6 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -120.9 | 174.3 | 159.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1109 | P | 40.3 | Very low | 33 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | cis | -127 | 154 | -42.4 | 35.2 | -22.5 | 0 | 0 | 0 | 112 | | |
| 1110 | L | 30.7 | Very low | 33 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -144.1 | 119.1 | 157.1 | -85.8 | 158.9 | 0 | 0 | 0 | 106.1 | | |
| 1111 | L | 28.8 | Very low | 32.6 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | | 67.6 | 143.4 | 68.2 | -82.3 | 168.8 | 0 | 0 | 0 | 114.5 | | |
| 1112 | Q | 30.5 | Very low | 32.4 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | 73 | 140.5 | -177 | -55.6 | -171.8 | -12.8 | 0 | 0 | 113.9 | | |
| 1113 | V | 32.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | cis | -149.3 | 133.9 | 8.4 | 93.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1114 | V | 33.6 | Very low | 31.9 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | | | trans | 47.9 | 107.5 | 140.7 | 173.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1115 | K | 35.4 | Very low | 32.4 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | | | | -166.2 | 144.6 | 59.2 | -107.8 | 142.8 | -170.1 | 174.2 | 0 | 108.4 | | |
| 1116 | S | 29.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | cis | 66.5 | 147.4 | 20.3 | -53.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1117 | V | 34.5 | Very low | 32.5 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | 83.2 | 88.9 | -166.4 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1118 | S | 29.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 80.7 | 132.3 | 60.4 | 78.3 | 0 | 0 | 0 | 0 | 114.6 | P1120 | S1118-P1120 VanDerWaalsContact O-CD 3.29Å; S1118-P1120 WeakPolarHBondContact O-CD 3.29Å |
| 1119 | S | 37.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -81.3 | 121.6 | 176.5 | 52 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1120 | P | 35.5 | Very low | 31.9 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | -87 | 143.6 | 142.1 | 34.9 | -29 | 0 | 0 | 0 | 108.8 | S1118 | S1118-P1120 VanDerWaalsContact O-CD 3.29Å; S1118-P1120 WeakPolarHBondContact O-CD 3.29Å |
| 1121 | S | 28 | Very low | 31.9 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | 69.3 | 88.6 | 28.5 | -156.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1122 | K | 31.8 | Very low | 31.8 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 61% | 0.609 | 74% | 0.739 | S | S | * | * | | | trans | 72.4 | 177.4 | 143 | -149.3 | 155.3 | -179 | 159 | 0 | 117.8 | E431 | E431-K1122 WeakPolarHBondContact OE2-CE 3.47Å; E431-K1122 IonicContact OE2-NZ 2.66Å; E431-K1122 PolarHBondContact OE2-NZ 2.89Å |
| 1123 | V | 27.2 | Very low | 31.7 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | | | trans | 93.3 | 104.3 | 169.8 | -171.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1124 | A | 26.9 | Very low | 31.4 | Very low | 79 Ų | 79 | 117 Ų | 117 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | | | trans | 60.6 | 121.4 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1125 | I | 40.9 | Very low | 31.1 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | | 55.6 | 105.5 | 53.8 | -45.6 | 175.4 | 0 | 0 | 0 | 111.8 | | |
| 1126 | P | 36.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | | -110.9 | 135 | 106.1 | -12.8 | 30.5 | 0 | 0 | 0 | 110.5 | | |
| 1127 | S | 29.9 | Very low | 30.8 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | cis | 104.4 | 145 | 34.9 | -76.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1128 | S | 31.3 | Very low | 30.6 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | | | trans | 72.4 | 150.7 | 170.5 | 79.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1129 | A | 30.8 | Very low | 30.7 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | | | cis | -168.4 | 139.7 | -29.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1130 | N | 29.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 118 Ų | 118 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | trans | 60.2 | 176.8 | 167.1 | -42.1 | -34.6 | 0 | 0 | 0 | 113 | | |
| 1131 | S | 29.5 | Very low | 31.2 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | cis | -135.3 | 135.5 | -11.1 | -37.7 | 0 | 0 | 0 | 0 | 105.2 | | |
| 1132 | V | 28.3 | Very low | 31.5 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | | 52.8 | 132.1 | 85.5 | -179.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1133 | S | 27.3 | Very low | 31.9 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | trans | 88.9 | 110.5 | 164.6 | -71.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1134 | C | 26.7 | Very low | 32.4 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | | 81.4 | 133.4 | 117.4 | -68.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1135 | S | 27.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | | 30.1 | 133.1 | 116.8 | -84.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1136 | S | 28.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | | | cis | 178.1 | 179.1 | 17.2 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1137 | R | 29.2 | Very low | 32.7 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | | | trans | 75.9 | 144.8 | 140.7 | -86.4 | 171 | 166.1 | -142.2 | -2.7 | 120 | | |
| 1138 | T | 30.6 | Very low | 33 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 65.4 | 145.7 | 149.1 | 44.4 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1139 | S | 32.3 | Very low | 33.4 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | cis | -168 | 140.3 | -5.5 | 42.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1140 | V | 41.1 | Very low | 33.8 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | | | | 57.4 | 106.9 | 61.3 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1141 | P | 40.3 | Very low | 34.3 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | | | | -126.7 | 148 | 95.7 | 3.2 | 19.4 | 0 | 0 | 0 | 113.6 | | |
| 1142 | T | 34.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | | | | 78.8 | 125.4 | 64.9 | -44.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1143 | V | 40.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | | -170 | 123.3 | 84.7 | 159.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1144 | L | 36.5 | Very low | 35.5 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | 37.8 | 158.8 | 133.4 | -59.9 | 150.7 | 0 | 0 | 0 | 121.7 | Y1146 | L1144-Y1146 HydrophobicContact CD2-CD2 4.43Å; L1144-Y1146 HydrophobicContact CD2-CE2 4.34Å |
| 1145 | N | 37.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | cis | -159.9 | 133.9 | 23.9 | -146 | 0.3 | 0 | 0 | 0 | 115.1 | | |
| 1146 | Y | 34.3 | Very low | 36 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | 10 | 138.4 | 149.4 | -71.7 | -108.8 | 0 | 0 | 0 | 121 | L1144 | L1144-Y1146 HydrophobicContact CD2-CD2 4.43Å; L1144-Y1146 HydrophobicContact CD2-CE2 4.34Å |
| 1147 | K | 39.4 | Very low | 36.1 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | | -174 | 166 | 59.3 | -132.4 | 162.6 | -167.8 | -179.3 | 0 | 115.6 | | |
| 1148 | Q | 36.5 | Very low | 36.1 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | trans | -70.2 | -178.2 | 178.9 | -112.7 | 178.6 | -36.3 | 0 | 0 | 116.3 | | |
| 1149 | P | 40.7 | Very low | 36.3 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | cis | -146.6 | -179 | -6.9 | 34.4 | -10 | 0 | 0 | 0 | 119.2 | | |
| 1150 | V | 38.6 | Very low | 36.3 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | 70.2 | 137.8 | 156 | -133 | 0 | 0 | 0 | 0 | 124.5 | | |
| 1151 | S | 39.3 | Very low | 36.1 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | 89.5 | 113.6 | 138.7 | 35.8 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1152 | H | 36.7 | Very low | 36 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | 65.8 | 88.4 | 133.5 | -66.2 | -63.3 | 0 | 0 | 0 | 123.3 | | |
| 1153 | S | 34.5 | Very low | 35.9 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | | 42.3 | 120.3 | 116.9 | 63.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1154 | Q | 39.2 | Very low | 35.9 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | | -170.6 | 141.8 | 97.7 | -96.9 | 172.1 | 30.7 | 0 | 0 | 112.2 | | |
| 1155 | L | 33.3 | Very low | 35.8 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -105.1 | 167 | 169.3 | -65.2 | 168.2 | 0 | 0 | 0 | 108 | | |
| 1156 | N | 31.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | cis | -158.9 | 135 | 16.1 | -151.3 | 8.4 | 0 | 0 | 0 | 110 | | |
| 1157 | V | 31.1 | Very low | 35.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | -150.5 | 133.6 | 178.8 | 178 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1158 | S | 30.1 | Very low | 35.4 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | 66.4 | 158.9 | 164 | -70.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1159 | L | 33.3 | Very low | 35.2 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | | | cis | -162.2 | 144.7 | -16.3 | -110 | 164 | 0 | 0 | 0 | 108.4 | | |
| 1160 | L | 33.1 | Very low | 35 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 61.9 | 174.5 | 160.5 | -62.6 | 162.5 | 0 | 0 | 0 | 114.6 | | |
| 1161 | T | 36 | Very low | 34.8 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | cis | -137.3 | -147.8 | 14.5 | -30.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1162 | P | 39.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -102.1 | -179.5 | -147.2 | 41.6 | -26.6 | 0 | 0 | 0 | 115 | | |
| 1163 | G | 32 | Very low | 34.5 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | | | trans | -86.7 | -149.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1164 | P | 41.4 | Very low | 34.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | | -124.2 | 152.1 | -67.3 | 37.1 | -30.9 | 0 | 0 | 0 | 112.3 | | |
| 1165 | S | 34.4 | Very low | 34.1 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | | | trans | -149.2 | 156.1 | 164.9 | -89.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1166 | V | 35.7 | Very low | 34 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -93.4 | 153.4 | -176.1 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1167 | I | 34.8 | Very low | 34.1 | Very low | 156 Ų | 156 | 132 Ų | 132 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | 178.1 | 112.1 | 133.8 | -89.3 | 152.9 | 0 | 0 | 0 | 110.2 | | |
| 1168 | N | 32.7 | Very low | 34 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 44.7 | 138.3 | 139.9 | -62.4 | 10.1 | 0 | 0 | 0 | 124.6 | | |
| 1169 | N | 32.5 | Very low | 34.3 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | | 111.2 | 130.9 | 129.5 | -89 | 30.4 | 0 | 0 | 0 | 121.8 | | |
| 1170 | E | 35.7 | Very low | 34.1 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 80.7 | 138.2 | 148.9 | -72.6 | 158.5 | -120.9 | 0 | 0 | 120.8 | | |
| 1171 | V | 34.6 | Very low | 34 | Very low | 122 Ų | 122 | 138 Ų | 138 | 74% | 0.739 | 76% | 0.758 | S | S | * | * | | | trans | -138.7 | 141.1 | -164.3 | 173.9 | 0 | 0 | 0 | 0 | 107.9 | I1173 | V1171-I1173 HydrophobicContact CG1-CG1 3.98Š|
| 1172 | P | 39.6 | Very low | 33.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -109.1 | 117.6 | 158.1 | 32.9 | -23.7 | 0 | 0 | 0 | 111.3 | | |
| 1173 | I | 30.4 | Very low | 33.6 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 67% | 0.672 | 76% | 0.76 | S | S | * | * | | | trans | -89.9 | 133.2 | 169.8 | -66.7 | 173.7 | 0 | 0 | 0 | 109.1 | V1171 | V1171-I1173 HydrophobicContact CG1-CG1 3.98Š|
| 1174 | L | 34.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -122.8 | 82.3 | 169.7 | -86.6 | 170.4 | 0 | 0 | 0 | 111.8 | | |
| 1175 | F | 29.3 | Very low | 33 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | | | trans | 21.1 | 158 | 134.6 | -76.2 | -84.3 | 0 | 0 | 0 | 123.3 | | |
| 1176 | V | 31.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | 65.1 | 142.7 | 167.1 | -93.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1177 | Q | 33.6 | Very low | 32.5 | Very low | 146 Ų | 146 | 149 Ų | 149 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | | | cis | -146.5 | 130 | 8 | -160 | 143 | 30.4 | 0 | 0 | 113.1 | | |
| 1178 | D | 29.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -99 | 150.7 | 157.2 | -162.8 | -10.3 | 0 | 0 | 0 | 109.2 | | |
| 1179 | R | 36.2 | Very low | 32.7 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -143 | 83.1 | -177.7 | -114.1 | -175.2 | 178.1 | -174.7 | -0.2 | 112.7 | | |
| 1180 | N | 29.6 | Very low | 32.7 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | | | trans | 15.9 | 125.6 | 141.4 | -81.3 | -54.9 | 0 | 0 | 0 | 119.3 | | |
| 1181 | Q | 30.9 | Very low | 32.5 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | | 56.4 | 127.9 | 128.6 | -54.9 | 178.1 | 45.7 | 0 | 0 | 120.2 | | |
| 1182 | H | 31 | Very low | 32.5 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | | -166.9 | 146.4 | 111.6 | -98.8 | -63.3 | 0 | 0 | 0 | 111.7 | | |
| 1183 | P | 35.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -102.4 | 122.8 | 179.4 | 35.6 | -28.8 | 0 | 0 | 0 | 112.7 | | |
| 1184 | I | 30.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -133.8 | 147.1 | 177.2 | -60.5 | -175.5 | 0 | 0 | 0 | 112.4 | | |
| 1185 | R | 29.7 | Very low | 32 | Very low | 221 Ų | 221 | 151 Ų | 151 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | -117.5 | 125 | -162 | 160.4 | -162.4 | 180 | -166.8 | 3.6 | 111.8 | | |
| 1186 | S | 28.7 | Very low | 31.9 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -161 | 117.1 | 162.1 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1187 | Q | 31 | Very low | 31.8 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | | 84.8 | 97 | 66.6 | -78.7 | -164.4 | 23.8 | 0 | 0 | 114.6 | | |
| 1188 | T | 37.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | 42.3 | -144.5 | 151.4 | 54.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1189 | P | 35.2 | Very low | 32 | Very low | 86 Ų | 86 | 152 Ų | 152 | 56% | 0.558 | 76% | 0.763 | S | S | * | * | | | cis | -97.7 | 150.1 | -5.8 | 2.6 | 19 | 0 | 0 | 0 | 113.9 | H87 | H87-P1189 HydrophobicContact CB-CB 4.24Š|
| 1190 | T | 31.9 | Very low | 31.8 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -87.7 | 127.9 | 162.2 | 51 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1191 | R | 31.7 | Very low | 32.2 | Very low | 240 Ų | 240 | 147.9 Ų | 147.9 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | | | trans | -146.7 | 124.3 | 156.2 | -153.7 | 176 | -165.7 | -130.2 | 2.2 | 111.1 | | |
| 1192 | S | 34.8 | Very low | 32.7 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -97.6 | 137.4 | -176.7 | 51.7 | 0 | 0 | 0 | 0 | 112 | | |
| 1193 | V | 32.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | | | trans | -142.2 | 127.6 | 167.3 | -169.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1194 | N | 31.3 | Very low | 33 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | | | trans | -83.9 | 117.6 | 171.9 | -79 | -26.5 | 0 | 0 | 0 | 111 | | |
| 1195 | W | 31 | Very low | 33.3 | Very low | 215 Ų | 215 | 145 Ų | 145 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | | | trans | -149 | 114.1 | 151.2 | -73 | 88.1 | 0 | 0 | 0 | 104.4 | | |
| 1196 | V | 26.7 | Very low | 33.7 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | | | | 50.9 | 98.9 | 52.8 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1197 | Q | 30.8 | Very low | 34.2 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | | 179.3 | 113.5 | 121.6 | -173.2 | 145.2 | -64.7 | 0 | 0 | 113.7 | | |
| 1198 | R | 29.7 | Very low | 34.6 | Very low | 216 Ų | 216 | 141 Ų | 141 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | | | trans | 28.4 | 122.4 | 143.8 | -57 | 175.9 | 177.5 | -165.2 | -3.1 | 121 | | |
| 1199 | S | 35.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | | | | -148.4 | 125 | 112.7 | -58 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1200 | S | 33.8 | Very low | 34.8 | Very low | 72 Ų | 72 | 146.5 Ų | 146.5 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | | 72.7 | 126.6 | 51.7 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1201 | F | 37.1 | Very low | 35.1 | Very low | 177 Ų | 177 | 146 Ų | 146 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | cis | -159.8 | 171.3 | 6.9 | -80.5 | 140.4 | 0 | 0 | 0 | 106.9 | | |
| 1202 | D | 40.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | | | cis | -175.4 | 175.3 | -12.7 | -101.8 | -20.3 | 0 | 0 | 0 | 107 | | |
| 1203 | Q | 35.1 | Very low | 35.4 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | cis | -169.6 | -157.6 | -21.6 | -170.9 | 162.1 | 121.3 | 0 | 0 | 106.2 | | |
| 1204 | Y | 38.3 | Very low | 35.4 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | | | trans | 69.8 | 105.8 | -177.9 | -59.6 | -77.2 | 0 | 0 | 0 | 114.6 | | |
| 1205 | T | 37 | Very low | 35.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 58% | 0.583 | 73% | 0.731 | S | S | * | * | | | cis | 74.4 | 141.9 | 41.3 | 87.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1206 | D | 37.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | | | cis | -153.5 | 168.6 | 34.1 | -113.1 | -51.4 | 0 | 0 | 0 | 117.6 | | |
| 1207 | I | 40.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | trans | 40.9 | 135 | 146.5 | -71.4 | 154.9 | 0 | 0 | 0 | 120.5 | | |
| 1208 | T | 39.2 | Very low | 36.7 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | cis | -160 | -160.2 | -24.4 | 45.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1209 | D | 38.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | | | cis | -160.1 | -175.7 | 0.1 | -144.9 | -28.9 | 0 | 0 | 0 | 111.3 | | |
| 1210 | R | 37.9 | Very low | 36.6 | Very low | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | 16.9 | 139.2 | 151.4 | -73.5 | 147.7 | -144.1 | -127.3 | 0.5 | 121.4 | | |
| 1211 | S | 38.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | cis | -149.9 | 162.5 | 25.4 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1212 | T | 34.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -150.9 | 134.8 | -173.2 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1213 | I | 38.9 | Very low | 35.6 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -147 | 140.6 | 160.8 | -54.9 | -179.5 | 0 | 0 | 0 | 106 | | |
| 1214 | S | 32 | Very low | 35.6 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | cis | 145.8 | 116.5 | -20.7 | -82.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1215 | L | 37.7 | Very low | 35.2 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | trans | -77.5 | 163.2 | 177.1 | -69.6 | 163.6 | 0 | 0 | 0 | 112 | | |
| 1216 | P | 39.5 | Very low | 35.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -125.3 | 167.4 | 139.1 | 36.6 | -27.9 | 0 | 0 | 0 | 113.7 | | |
| 1217 | I | 35.1 | Very low | 34.8 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | | | trans | -121.9 | 141.8 | -176.3 | -62.3 | 159.9 | 0 | 0 | 0 | 108.4 | | |
| 1218 | L | 35.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | 179.2 | 175.9 | 156 | -120.9 | 69.1 | 0 | 0 | 0 | 108.7 | | |
| 1219 | S | 31 | Very low | 34.2 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | | | | -158 | 132.1 | -71.1 | -84.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1220 | T | 30.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | 32.4 | 125.1 | 153.9 | 50.5 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1221 | A | 30.1 | Very low | 33.8 | Very low | 95 Ų | 95 | 135.3 Ų | 135.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | 71.4 | 163.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1222 | T | 30.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | cis | -146.5 | 165.5 | 11.3 | -40.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1223 | V | 30.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | | | trans | -44.3 | 148.3 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 116.6 | T1225 | V1223-T1225 HydrophobicContact CG1-CG2 4.15Š|
| 1224 | I | 35.2 | Very low | 33.3 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -144 | 142.4 | 133.9 | -96.9 | 156.8 | 0 | 0 | 0 | 108.6 | | |
| 1225 | T | 30 | Very low | 33.3 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | | | trans | -125.7 | 150.9 | -179.8 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | V1223 | V1223-T1225 HydrophobicContact CG1-CG2 4.15Š|
| 1226 | T | 35.9 | Very low | 32.9 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | | | trans | -142.6 | 139.8 | 157.6 | 38.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1227 | H | 30.2 | Very low | 32.7 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 82% | 0.819 | 82% | 0.815 | S | S | * | * | | | trans | -99.7 | 154.7 | 174.6 | -76 | -110.5 | 0 | 0 | 0 | 110.9 | | |
| 1228 | A | 37.2 | Very low | 32.6 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | | | trans | -152.4 | 124.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1229 | N | 30.6 | Very low | 32.5 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | | | trans | -84.3 | 152.4 | 166.1 | -67.8 | -17.1 | 0 | 0 | 0 | 109.2 | | |
| 1230 | N | 35.1 | Very low | 33.2 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | | -165 | 154.1 | 122.8 | -102.4 | -23.4 | 0 | 0 | 0 | 113.2 | | |
| 1231 | T | 31.6 | Very low | 33.5 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | | | trans | -87.6 | 152.2 | 179.8 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1232 | G | 35.2 | Very low | 33.8 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -170.8 | 108.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1233 | E | 30.8 | Very low | 34.6 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -68.5 | 149 | 167.2 | -51.6 | 178.7 | 121.1 | 0 | 0 | 110 | | |
| 1234 | F | 35.1 | Very low | 34.9 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | | | trans | -160.5 | 170.4 | 138.6 | -104.4 | -62.8 | 0 | 0 | 0 | 111.6 | | |
| 1235 | R | 32.6 | Very low | 35 | Very low | 224 Ų | 224 | 141.5 Ų | 141.5 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | -102.5 | 151.9 | -156.7 | -60.5 | 178.2 | 179.5 | -177.9 | -0.8 | 113.9 | | |
| 1236 | C | 30.2 | Very low | 35.7 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 72% | 0.723 | 84% | 0.835 | S | S | * | * | | | trans | 31.4 | 134.5 | 140.5 | -55.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1237 | F | 34.3 | Very low | 35.6 | Very low | 212 Ų | 212 | 141.7 Ų | 141.7 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | | -166.7 | -177.7 | 113 | -101.2 | -61 | 0 | 0 | 0 | 112.2 | | |
| 1238 | S | 32.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | | | trans | -105.2 | 171.5 | -150.4 | -50.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1239 | H | 32 | Very low | 36.1 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | | | trans | -52.8 | 145 | 177.7 | -62.9 | -85.5 | 0 | 0 | 0 | 115.3 | | |
| 1240 | P | 46 | Very low | 36.6 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | trans | -86 | 163.1 | 168.4 | 35.7 | -34.7 | 0 | 0 | 0 | 113.4 | | |
| 1241 | V | 38.2 | Very low | 36.7 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -108 | 160.2 | 179 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1242 | A | 37 | Very low | 37.1 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | | | trans | -69.4 | 154.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1243 | P | 45.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -85.2 | 169.4 | 167.8 | 36.4 | -35 | 0 | 0 | 0 | 112.7 | | |
| 1244 | S | 37.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -152.7 | 164.9 | -175.8 | 62 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1245 | G | 37.6 | Very low | 37.8 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | 96.9 | 172.9 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1246 | P | 44.8 | Very low | 38.3 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 93% | 0.929 | 80% | 0.801 | S | S | * | * | | | cis | -111.6 | -165.9 | 4.8 | 41 | -31 | 0 | 0 | 0 | 114.2 | | |
| 1247 | S | 33.1 | Very low | 38.6 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -133 | 148.1 | -168.6 | 171.3 | 0 | 0 | 0 | 0 | 113 | | |
| 1248 | M | 41 | Very low | 38.8 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -161 | 166.5 | 151.6 | -79.4 | -148.8 | 74.8 | 0 | 0 | 110.6 | | |
| 1249 | Q | 38 | Very low | 39.2 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | | | | -168.1 | 156.7 | -62.9 | -146.2 | -176.4 | 16.8 | 0 | 0 | 107.8 | | |
| 1250 | L | 39.3 | Very low | 39.6 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 150.7 | 165.7 | -53.7 | 167.1 | 0 | 0 | 0 | 117.6 | | |
| 1251 | S | 38.3 | Very low | 39 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | cis | -168.6 | 175.2 | -22.5 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1252 | N | 39.5 | Very low | 39.2 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | 82.9 | 92.9 | 154.4 | -65.3 | -5.4 | 0 | 0 | 0 | 123 | | |
| 1253 | N | 39.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | | 54.4 | 130 | 112.5 | -57.8 | -5.1 | 0 | 0 | 0 | 123.7 | | |
| 1254 | G | 39.1 | Very low | 39.2 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | -178.3 | 129.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1255 | S | 38 | Very low | 39.5 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -109.1 | 178 | -166.7 | -57.1 | 0 | 0 | 0 | 0 | 116 | | |
| 1256 | V | 41.8 | Very low | 39.4 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 110.6 | 139.3 | 154.2 | 174.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1257 | S | 36.6 | Very low | 38.9 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | cis | -174.2 | 172.1 | -34.5 | -161.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1258 | S | 39.4 | Very low | 39.2 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | 70.1 | 149.5 | 158 | 83.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1259 | H | 41 | Very low | 38.8 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | | | cis | -162.1 | 161.3 | -15 | -136.4 | -89.1 | 0 | 0 | 0 | 111.3 | | |
| 1260 | F | 39.9 | Very low | 39.1 | Very low | 196 Ų | 196 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 64.7 | 142.1 | 173.6 | -53.4 | -79.4 | 0 | 0 | 0 | 118.2 | | |
| 1261 | G | 34.5 | Very low | 39.1 | Very low | 62 Ų | 62 | 134.7 Ų | 134.7 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | cis | 133.1 | 114.1 | -19.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1262 | F | 42.2 | Very low | 38.9 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 96% | 0.961 | 79% | 0.791 | S | S | * | * | | | trans | -171 | 162.8 | 153.2 | -100.5 | -63.8 | 0 | 0 | 0 | 111.5 | | |
| 1263 | Q | 36.3 | Very low | 39.3 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -129.4 | 157.9 | -178.9 | -76.3 | -171.4 | -9.8 | 0 | 0 | 112.9 | | |
| 1264 | P | 45.9 | Very low | 39.4 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -90.8 | 157.2 | 166.1 | 36.8 | -33.2 | 0 | 0 | 0 | 113.2 | | |
| 1265 | I | 44.1 | Very low | 39.3 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -121.6 | 154.8 | -178 | -66 | 175.5 | 0 | 0 | 0 | 110.7 | | |
| 1266 | Q | 34.3 | Very low | 39.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | -98.5 | 179.5 | -176.5 | -66.1 | -177.2 | -26.7 | 0 | 0 | 114.3 | | |
| 1267 | S | 35.7 | Very low | 39 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 82 | 157.1 | 158.2 | 85.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1268 | V | 39.1 | Very low | 39.1 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | cis | -138.5 | 163.3 | 8.4 | 148.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1269 | Q | 33.2 | Very low | 39 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -98.8 | 142.6 | 174.7 | 177.4 | -163 | 1.9 | 0 | 0 | 113.4 | | |
| 1270 | P | 44.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | trans | -145.6 | 123.4 | 134.2 | 30.4 | -11.9 | 0 | 0 | 0 | 113.1 | | |
| 1271 | S | 38.9 | Very low | 38.6 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | | 87.6 | 114 | 76.1 | 78.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1272 | N | 33.9 | Very low | 39 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -27.5 | 158.9 | 160.8 | -110.9 | -27.6 | 0 | 0 | 0 | 117.6 | | |
| 1273 | P | 47.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | | -155.1 | 147.9 | 67.5 | 41 | -20.2 | 0 | 0 | 0 | 121.5 | | |
| 1274 | A | 40.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | 56.7 | 130.6 | 130.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1275 | G | 37.1 | Very low | 38.2 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 170 | 92.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1276 | K | 40.2 | Very low | 37.8 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | 28 | 140 | 140.6 | -58.4 | 172.8 | -173.7 | 176.4 | 0 | 119.5 | | |
| 1277 | S | 34.3 | Very low | 38.2 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | cis | -176.6 | 165.7 | 4.8 | 43.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1278 | L | 39.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | 29 | 136.6 | 137.1 | -52 | 170.5 | 0 | 0 | 0 | 118.8 | | |
| 1279 | D | 35.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | cis | -169.5 | -171 | 10.9 | -121.1 | -23.7 | 0 | 0 | 0 | 111.6 | | |
| 1280 | C | 36.2 | Very low | 38 | Very low | 121 Ų | 121 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 77 | 107 | 160.8 | -66 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1281 | T | 36 | Very low | 37.6 | Very low | 131 Ų | 131 | 124.7 Ų | 124.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -86 | -163 | 152.2 | 61 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1282 | P | 43.5 | Very low | 37.5 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 59% | 0.591 | 78% | 0.779 | S | S | * | * | | | cis | -135.5 | -158 | -10.7 | 26.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1283 | F | 35.9 | Very low | 37.6 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 84.5 | 123.3 | 170.5 | -53.8 | -75.9 | 0 | 0 | 0 | 116.9 | | |
| 1284 | L | 37 | Very low | 37.9 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | cis | 83.3 | 92.2 | 42.1 | -75.9 | 160.7 | 0 | 0 | 0 | 115.4 | | |
| 1285 | S | 35.4 | Very low | 38 | Very low | 127 Ų | 127 | 128 Ų | 128 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | | -176.8 | 163.6 | 111.6 | -161.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1286 | G | 35 | Very low | 38.1 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | -88.2 | -156.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1287 | P | 41.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | cis | -146.4 | -175.1 | 32.4 | 45.4 | -26.7 | 0 | 0 | 0 | 117.4 | | |
| 1288 | T | 35.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | 64.3 | 115.4 | 151.2 | -49.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1289 | A | 31.9 | Very low | 38.6 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | -78.8 | 155.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1290 | T | 36.3 | Very low | 38.8 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -127.5 | 131.4 | 170.4 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1291 | I | 36 | Very low | 38.9 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -88.5 | 140.4 | -178.1 | -61.1 | 168.7 | 0 | 0 | 0 | 109.5 | | |
| 1292 | M | 38.1 | Very low | 39 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -119.7 | 121 | 166.3 | -74.9 | -168.4 | 68 | 0 | 0 | 110.5 | | |
| 1293 | S | 35.7 | Very low | 38.7 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 136.3 | -177.4 | -47.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1294 | P | 53.9 | Low | 39.2 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 146 | 163.8 | 32.6 | -32.6 | 0 | 0 | 0 | 111 | | |
| 1295 | C | 41.9 | Very low | 39.4 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 135 | -178 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1296 | L | 40.8 | Very low | 39.6 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 147.1 | 170.3 | -75.7 | 170.3 | 0 | 0 | 0 | 112.1 | | |
| 1297 | P | 47.7 | Very low | 39.8 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 146 | 177.5 | 32.2 | -34.8 | 0 | 0 | 0 | 112.3 | | |
| 1298 | A | 36.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 131.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1299 | V | 39.8 | Very low | 39.7 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -109.5 | 121.7 | 170.9 | 177.7 | 0 | 0 | 0 | 0 | 109.3 | L1301 | V1299-L1301 PolarHBondContact O-N 3.18Š|
| 1300 | I | 39 | Very low | 40 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -83.8 | 108.1 | -179.5 | -59.2 | 171.6 | 0 | 0 | 0 | 109.1 | | |
| 1301 | L | 39 | Very low | 40.2 | Very low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | trans | -97.3 | 110.8 | 170.8 | -85.4 | 170.3 | 0 | 0 | 0 | 111.2 | V1299 H1303 | V1299-L1301 PolarHBondContact O-N 3.18Å; L1301-H1303 PolarHBondContact O-N 3.49Å |
| 1302 | S | 37.8 | Very low | 40.2 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -77.8 | 83.4 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1303 | H | 38.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | -89.1 | 130.7 | 168.9 | -71 | -62.6 | 0 | 0 | 0 | 111.4 | L1301 I1305 | L1301-H1303 PolarHBondContact O-N 3.49Å; H1303-I1305 PolarHBondContact O-N 2.66Å |
| 1304 | P | 45.4 | Very low | 40.8 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | | | trans | -74.1 | 98.6 | 175.6 | 29.9 | -33.1 | 0 | 0 | 0 | 110.2 | T1306 | P1304-T1306 PolarHBondContact O-N 3.06Å; P1304-T1306 VanDerWaalsContact O-N 3.13Å |
| 1305 | I | 41 | Very low | 39.8 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | -76.9 | 98.9 | 174.6 | -54.3 | 179.9 | 0 | 0 | 0 | 108.9 | H1303 I1307 | H1303-I1305 PolarHBondContact O-N 2.66Å; I1305-I1307 VanDerWaalsContact C-N 3.33Å; I1305-I1307 HydrophobicContact CG2-CG1 3.76Å; I1305-I1307 PolarHBondContact O-N 3.27Å |
| 1306 | T | 38.8 | Very low | 39.4 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -71.9 | 86.8 | 170.5 | -51.4 | 0 | 0 | 0 | 0 | 109.7 | P1304 Q1308 | P1304-T1306 PolarHBondContact O-N 3.06Å; P1304-T1306 VanDerWaalsContact O-N 3.13Å; T1306-Q1308 PolarHBondContact O-N 3.2Å |
| 1307 | I | 39.4 | Very low | 39.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | trans | -70.5 | 97.3 | 177.6 | -56.7 | 177.4 | 0 | 0 | 0 | 109.4 | I1305 S1309 | I1305-I1307 VanDerWaalsContact C-N 3.33Å; I1305-I1307 HydrophobicContact CG2-CG1 3.76Å; I1305-I1307 PolarHBondContact O-N 3.27Å; I1307-S1309 PolarHBondContact O-N 2.87Å |
| 1308 | Q | 38 | Very low | 38.6 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 100.8 | 162.8 | -81.7 | -172.1 | -56.5 | 0 | 0 | 109.6 | T1306 T1310 | T1306-Q1308 PolarHBondContact O-N 3.2Å; Q1308-T1310 PolarHBondContact O-N 2.99Å |
| 1309 | S | 37.9 | Very low | 38.7 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | -74.7 | 85.8 | 173.4 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | I1307 S1311 | I1307-S1309 PolarHBondContact O-N 2.87Å; S1309-S1311 VanDerWaalsContact C-N 3.3Å; S1309-S1311 PolarHBondContact O-N 3.23Å |
| 1310 | T | 38.8 | Very low | 38.5 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | -80.4 | 69.4 | 176.4 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | Q1308 N1312 | Q1308-T1310 PolarHBondContact O-N 2.99Å; T1310-N1312 VanDerWaalsContact C-N 3.35Å; T1310-N1312 PolarHBondContact O-N 2.97Å |
| 1311 | S | 40.9 | Very low | 38.5 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | trans | -73.9 | 82.5 | 175.2 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | S1309 I1313 | S1309-S1311 VanDerWaalsContact C-N 3.3Å; S1309-S1311 PolarHBondContact O-N 3.23Å; S1311-I1313 PolarHBondContact O-N 2.8Å |
| 1312 | N | 36.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -67.1 | 97 | 170.6 | -83.2 | -28.5 | 0 | 0 | 0 | 110.7 | T1310 | T1310-N1312 VanDerWaalsContact C-N 3.35Å; T1310-N1312 PolarHBondContact O-N 2.97Å |
| 1313 | I | 42.5 | Very low | 38.4 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -119.3 | 111.7 | 166.5 | -62.3 | -178.4 | 0 | 0 | 0 | 108.5 | S1311 P1315 | S1311-I1313 PolarHBondContact O-N 2.8Å; I1313-P1315 WeakPolarHBondContact O-CD 3.34Å |
| 1314 | T | 42.3 | Very low | 38.5 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 75% | 0.745 | S | S | * | * | | | trans | -73.1 | 124.4 | -177.5 | -13.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1315 | P | 34.6 | Very low | 37.9 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | -91.1 | 123.9 | 168.6 | 33 | -29.2 | 0 | 0 | 0 | 110.8 | I1313 | I1313-P1315 WeakPolarHBondContact O-CD 3.34Š|
| 1316 | S | 33.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | | 167.9 | 151.7 | 118.7 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1317 | Q | 35.3 | Very low | 38.2 | Very low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | 54.7 | 107.2 | 163.7 | -48.7 | -160.5 | 26.5 | 0 | 0 | 119.6 | | |
| 1318 | Q | 36.3 | Very low | 38.1 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | | -155.1 | 136.7 | 109.2 | -111.8 | 177.8 | 22.8 | 0 | 0 | 114.4 | | |
| 1319 | N | 37.3 | Very low | 38.1 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | 31.2 | 114.4 | 153.8 | -65.5 | -24.4 | 0 | 0 | 0 | 123 | | |
| 1320 | I | 36.3 | Very low | 38.1 | Very low | 131 Ų | 131 | 143 Ų | 143 | 67% | 0.672 | 78% | 0.777 | S | S | * | * | | | | 38.2 | 111.4 | 113.5 | -46.7 | 158.2 | 0 | 0 | 0 | 117.1 | | |
| 1321 | F | 37.8 | Very low | 38.1 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | | -172.5 | 122.4 | 107.2 | -109.5 | -72.4 | 0 | 0 | 0 | 114.5 | | |
| 1322 | N | 37.9 | Very low | 37.9 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | trans | 41.9 | 132.1 | 147.3 | -77.9 | -13.7 | 0 | 0 | 0 | 124.6 | | |
| 1323 | R | 37.7 | Very low | 38 | Very low | 217 Ų | 217 | 148.3 Ų | 148.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | trans | 83.2 | 104 | 133.6 | -76.8 | -177.9 | 179 | -160 | -1.3 | 121.2 | | |
| 1324 | S | 40.2 | Very low | 37.7 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | | | | 39.2 | 143.5 | 107 | 65.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1325 | L | 34.4 | Very low | 37.3 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | cis | -164.4 | 169.7 | -2.8 | -103.4 | 169.3 | 0 | 0 | 0 | 105.7 | | |
| 1326 | P | 46.4 | Very low | 37.5 | Very low | 188 Ų | 188 | 152.5 Ų | 152.5 | 100% | 1.221 | 79% | 0.793 | S | S | * | * | | | | -104.9 | 0 | 80 | -16.8 | 34.3 | 0 | 0 | 0 | 115.2 | | |