| 1 | M | 45.1 | Very low | 50.1 | Low | 242 Ų | 242 | 157.8 Ų | 157.8 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | | | | 0 | 126.7 | 0 | -75.1 | 166.8 | 137.6 | 0 | 0 | 108.4 | | |
| 2 | N | 45.2 | Very low | 50.8 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 83% | 0.829 | 86% | 0.855 | S | S | * | * | | | | -143.1 | 126.4 | -51.2 | -115.8 | -2 | 0 | 0 | 0 | 104.8 | | |
| 3 | C | 43 | Very low | 51.6 | Low | 130 Ų | 130 | 160.2 Ų | 160.2 | 88% | 0.878 | 85% | 0.851 | S | S | * | * | | | trans | -76.9 | 125.5 | 176.2 | -61 | 0 | 0 | 0 | 0 | 109.8 | | |
| 4 | H | 52.3 | Low | 52.9 | Low | 183 Ų | 183 | 157.1 Ų | 157.1 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | | | trans | -103.8 | 98.6 | 168.7 | -102.5 | -52.7 | 0 | 0 | 0 | 110.9 | | |
| 5 | Q | 48.5 | Very low | 54.7 | Low | 192 Ų | 192 | 150.5 Ų | 150.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -97 | 109.3 | 166 | -154.3 | -179 | 21.8 | 0 | 0 | 106.5 | | |
| 6 | S | 52.7 | Low | 56.3 | Low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -121.2 | 80 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 7 | G | 47.3 | Very low | 57.7 | Low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -79.3 | 111.4 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | K9 | G7-K9 PolarHBondContact O-N 3.25Š|
| 8 | S | 56 | Low | 59 | Low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -71 | 109.4 | 174.6 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | Q10 | S8-Q10 PolarHBondContact O-N 2.94Š|
| 9 | K | 52.2 | Low | 60.2 | Low | 202 Ų | 202 | 140.5 Ų | 140.5 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | | | trans | -72.9 | 97.5 | 164.1 | -71.8 | 177.3 | 178.6 | 175.3 | 0 | 108.1 | G7 Q11 | G7-K9 PolarHBondContact O-N 3.25Å; K9-Q11 PolarHBondContact O-N 3.19Å |
| 10 | Q | 54.1 | Low | 61.5 | Low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | trans | -70.8 | 98.1 | 163 | -75.7 | -175.8 | -19 | 0 | 0 | 108.2 | S8 L12 | S8-Q10 PolarHBondContact O-N 2.94Å; Q10-L12 PolarHBondContact O-N 3.07Å |
| 11 | Q | 55.2 | Low | 62.6 | Low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | | | trans | -64.6 | 110.7 | 164.7 | -80.6 | -179.2 | -23 | 0 | 0 | 108.1 | K9 F13 | K9-Q11 PolarHBondContact O-N 3.19Å; Q11-F13 VanDerWaalsContact C-N 3.28Å; Q11-F13 HydrophobicContact CB-CD2 4.25Å; Q11-F13 HydrophobicContact CB-CE2 4.31Å; Q11-F13 PolarHBondContact O-N 3.13Å |
| 12 | L | 58.7 | Low | 64.6 | Low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | trans | -66.8 | 88.6 | 166.7 | -81.7 | 157.7 | 0 | 0 | 0 | 108.5 | Q10 L14 | Q10-L12 PolarHBondContact O-N 3.07Å; L12-L14 VanDerWaalsContact C-N 3.25Å; L12-L14 PolarHBondContact O-N 3.19Å |
| 13 | F | 60.6 | Low | 66.6 | Low | 184 Ų | 184 | 129.9 Ų | 129.9 | 81% | 0.807 | 70% | 0.696 | S | S | * | * | | | trans | -69.5 | 89.1 | 159.5 | -87.6 | -88.8 | 0 | 0 | 0 | 107.8 | Q11 S15 | Q11-F13 VanDerWaalsContact C-N 3.28Å; Q11-F13 HydrophobicContact CB-CD2 4.25Å; Q11-F13 HydrophobicContact CB-CE2 4.31Å; Q11-F13 PolarHBondContact O-N 3.13Å; F13-S15 PolarHBondContact O-N 2.73Å |
| 14 | L | 69.4 | Low | 68.7 | Low | 116 Ų | 116 | 127.8 Ų | 127.8 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | | | trans | -63.2 | 117.5 | 162 | -81 | 152.1 | 0 | 0 | 0 | 107 | L12 M19 | L12-L14 VanDerWaalsContact C-N 3.25Å; L12-L14 PolarHBondContact O-N 3.19Å; L14-M19 HydrophobicContact CB-CG 4.44Å |
| 15 | S | 80.9 | Confident | 70.3 | Confident | 59 Ų | 59 | 124.6 Ų | 124.6 | 41% | 0.413 | 67% | 0.665 | S | S | . | * | | | trans | -60 | 151.3 | 178.3 | 91 | 0 | 0 | 0 | 0 | 110 | F13 E17 T18 M19 | F13-S15 PolarHBondContact O-N 2.73Å; S15-E17 PolarHBondContact O-N 3.28Å; S15-E17 PolarHBondContact OG-N 2.94Å; S15-T18 PolarHBondContact N-OG1 3.25Å; S15-T18 VanDerWaalsContact N-OG1 3.11Å; S15-T18 PolarHBondContact O-N 3.2Å; S15-T18 PolarHBondContact O-OG1 3.2Å; S15-T18 PolarHBondContact OG-N 3.32Å; S15-M19 PolarHBondContact O-N 2.8Å |
| 16 | A | 79.4 | Confident | 71.9 | Confident | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -52.1 | -31.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M19 Y20 | A16-M19 PolarHBondContact O-N 3.39Å; A16-Y20 PolarHBondContact O-N 2.94Å |
| 17 | E | 80.9 | Confident | 73.4 | Confident | 139 Ų | 139 | 119.9 Ų | 119.9 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.6 | -42.9 | 175.8 | -61.1 | -174.2 | 151.5 | 0 | 0 | 112.2 | S15 M19 Y20 Y21 | S15-E17 PolarHBondContact O-N 3.28Å; S15-E17 PolarHBondContact OG-N 2.94Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.43Å; E17-Y20 WeakPolarHBondContact O-CB 2.9Å; E17-Y20 PolarHBondContact O-N 3.28Å; E17-Y20 VanDerWaalsContact O-N 3.15Å; E17-Y21 HydrophobicContact CB-CE2 4.46Å; E17-Y21 WeakPolarHBondContact O-CD2 3.23Å; E17-Y21 PolarHBondContact O-N 3.35Å |
| 18 | T | 80.6 | Confident | 75.1 | Confident | 64 Ų | 64 | 118.4 Ų | 118.4 | 39% | 0.393 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.4 | -35 | 176.9 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | S15 A22 | S15-T18 PolarHBondContact N-OG1 3.25Å; S15-T18 VanDerWaalsContact N-OG1 3.11Å; S15-T18 PolarHBondContact O-N 3.2Å; S15-T18 PolarHBondContact O-OG1 3.2Å; S15-T18 PolarHBondContact OG-N 3.32Å; T18-A22 WeakPolarHBondContact O-CB 3.27Å; T18-A22 PolarHBondContact O-N 3.01Å; T18-A22 VanDerWaalsContact O-N 3.09Å |
| 19 | M | 82.3 | Confident | 76 | Confident | 122 Ų | 122 | 118.5 Ų | 118.5 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 172.3 | -70 | -119.6 | -72.9 | 0 | 0 | 111.5 | L14 S15 A16 E17 A22 V23 | L14-M19 HydrophobicContact CB-CG 4.44Å; S15-M19 PolarHBondContact O-N 2.8Å; A16-M19 PolarHBondContact O-N 3.39Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 3.43Å; M19-A22 PolarHBondContact O-N 3.48Å; M19-V23 WeakPolarHBondContact O-CG2 3.25Å; M19-V23 PolarHBondContact O-N 3Å |
| 20 | Y | 85.1 | Confident | 77.1 | Confident | 153 Ų | 153 | 113.7 Ų | 113.7 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.3 | -44.4 | 178 | -169.9 | -101.6 | 0 | 0 | 0 | 112.5 | A16 E17 V23 L24 | A16-Y20 PolarHBondContact O-N 2.94Å; E17-Y20 WeakPolarHBondContact O-CB 2.9Å; E17-Y20 PolarHBondContact O-N 3.28Å; E17-Y20 VanDerWaalsContact O-N 3.15Å; Y20-V23 PolarHBondContact O-N 3.13Å; Y20-L24 HydrophobicContact CD1-CD1 3.71Å; Y20-L24 HydrophobicContact CD1-CG 4.42Å; Y20-L24 HydrophobicContact CE1-CD1 3.34Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 PolarHBondContact O-N 3.44Å |
| 21 | Y | 86 | Confident | 77.9 | Confident | 161 Ų | 161 | 108.7 Ų | 108.7 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.1 | -37.4 | 175.7 | -73.7 | -66.6 | 0 | 0 | 0 | 112.9 | E17 L24 L25 | E17-Y21 HydrophobicContact CB-CE2 4.46Å; E17-Y21 WeakPolarHBondContact O-CD2 3.23Å; E17-Y21 PolarHBondContact O-N 3.35Å; Y21-L24 PolarHBondContact O-N 3.36Å; Y21-L25 WeakPolarHBondContact O-CB 3.39Å; Y21-L25 PolarHBondContact O-N 2.69Å |
| 22 | A | 85.7 | Confident | 78.4 | Confident | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T18 M19 L25 L26 | T18-A22 WeakPolarHBondContact O-CB 3.27Å; T18-A22 PolarHBondContact O-N 3.01Å; T18-A22 VanDerWaalsContact O-N 3.09Å; M19-A22 PolarHBondContact O-N 3.48Å; A22-L25 PolarHBondContact O-N 3.11Å; A22-L26 PolarHBondContact O-N 3.43Å; A22-L26 VanDerWaalsContact O-N 3.08Å |
| 23 | V | 88.1 | Confident | 78.3 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66 | -44.6 | 176 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | M19 Y20 L25 L26 V27 | M19-V23 WeakPolarHBondContact O-CG2 3.25Å; M19-V23 PolarHBondContact O-N 3Å; Y20-V23 PolarHBondContact O-N 3.13Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.01Å; V23-L26 PolarHBondContact O-N 3.41Å; V23-V27 HydrophobicContact CG1-CG2 4.42Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.09Å |
| 24 | L | 87.8 | Confident | 77.8 | Confident | 87 Ų | 87 | 99.3 Ų | 99.3 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.8 | -37.1 | 176.2 | -79.5 | 174.2 | 0 | 0 | 0 | 112.8 | Y20 Y21 V27 G28 | Y20-L24 HydrophobicContact CD1-CD1 3.71Å; Y20-L24 HydrophobicContact CD1-CG 4.42Å; Y20-L24 HydrophobicContact CE1-CD1 3.34Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 PolarHBondContact O-N 3.44Å; Y21-L24 PolarHBondContact O-N 3.36Å; L24-V27 PolarHBondContact O-N 3Å; L24-G28 PolarHBondContact O-N 3.47Å |
| 25 | L | 85.1 | Confident | 76.6 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69 | -39 | 178 | -157 | 153.9 | 0 | 0 | 0 | 111.4 | Y21 A22 V23 G28 L29 | Y21-L25 WeakPolarHBondContact O-CB 3.39Å; Y21-L25 PolarHBondContact O-N 2.69Å; A22-L25 PolarHBondContact O-N 3.11Å; V23-L25 VanDerWaalsContact C-N 3.28Å; V23-L25 PolarHBondContact O-N 3.01Å; L25-G28 PolarHBondContact O-N 3.29Å; L25-L29 HydrophobicContact CD2-CD1 3.68Å; L25-L29 HydrophobicContact CD2-CG 4.3Å; L25-L29 PolarHBondContact O-N 3.05Å |
| 26 | L | 82.9 | Confident | 75 | Confident | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -45.5 | 173 | -87 | 161.8 | 0 | 0 | 0 | 112.2 | A22 V23 G28 L29 V30 | A22-L26 PolarHBondContact O-N 3.43Å; A22-L26 VanDerWaalsContact O-N 3.08Å; V23-L26 PolarHBondContact O-N 3.41Å; L26-G28 VanDerWaalsContact C-N 3.31Å; L26-G28 PolarHBondContact O-N 3.23Å; L26-L29 PolarHBondContact O-N 2.92Å; L26-V30 WeakPolarHBondContact O-CG2 3.06Å; L26-V30 PolarHBondContact O-N 3.46Å |
| 27 | V | 84.2 | Confident | 73.1 | Confident | 90 Ų | 90 | 114.9 Ų | 114.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.1 | -40.7 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 111 | V23 L24 L29 V30 A31 | V23-V27 HydrophobicContact CG1-CG2 4.42Å; V23-V27 WeakPolarHBondContact O-CG2 3.26Å; V23-V27 PolarHBondContact O-N 3.09Å; L24-V27 PolarHBondContact O-N 3Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.39Å; V27-V30 PolarHBondContact O-N 3.41Å; V27-A31 WeakPolarHBondContact O-CB 2.87Å; V27-A31 PolarHBondContact O-N 3.4Å |
| 28 | G | 82 | Confident | 71.3 | Confident | 43 Ų | 43 | 115.2 Ų | 115.2 | 44% | 0.443 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.6 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L24 L25 L26 A32 | L24-G28 PolarHBondContact O-N 3.47Å; L25-G28 PolarHBondContact O-N 3.29Å; L26-G28 VanDerWaalsContact C-N 3.31Å; L26-G28 PolarHBondContact O-N 3.23Å; G28-A32 WeakPolarHBondContact O-CB 3.11Å; G28-A32 PolarHBondContact O-N 3.19Å |
| 29 | L | 75.8 | Confident | 69.3 | Low | 112 Ų | 112 | 120 Ų | 120 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -40.4 | 176.1 | -81 | 168.4 | 0 | 0 | 0 | 112.4 | L25 L26 V27 A32 G33 | L25-L29 HydrophobicContact CD2-CD1 3.68Å; L25-L29 HydrophobicContact CD2-CG 4.3Å; L25-L29 PolarHBondContact O-N 3.05Å; L26-L29 PolarHBondContact O-N 2.92Å; V27-L29 VanDerWaalsContact C-N 3.35Å; V27-L29 PolarHBondContact O-N 3.39Å; L29-A32 PolarHBondContact O-N 3.32Å; L29-G33 PolarHBondContact O-N 3.09Å |
| 30 | V | 74.3 | Confident | 67.3 | Low | 100 Ų | 100 | 122.8 Ų | 122.8 | 61% | 0.606 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.5 | -44.5 | 176 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | L26 V27 A32 G33 | L26-V30 WeakPolarHBondContact O-CG2 3.06Å; L26-V30 PolarHBondContact O-N 3.46Å; V27-V30 PolarHBondContact O-N 3.41Å; V30-A32 PolarHBondContact O-N 3.26Å; V30-G33 PolarHBondContact O-N 3.32Å; V30-G33 VanDerWaalsContact O-N 3.09Å |
| 31 | A | 71 | Confident | 65.1 | Low | 77 Ų | 77 | 121.8 Ų | 121.8 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65 | -25 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V27 | V27-A31 WeakPolarHBondContact O-CB 2.87Å; V27-A31 PolarHBondContact O-N 3.4Å |
| 32 | A | 65.4 | Low | 62.8 | Low | 79 Ų | 79 | 119 Ų | 119 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -84.1 | -15.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G28 L29 V30 | G28-A32 WeakPolarHBondContact O-CB 3.11Å; G28-A32 PolarHBondContact O-N 3.19Å; L29-A32 PolarHBondContact O-N 3.32Å; V30-A32 PolarHBondContact O-N 3.26Å |
| 33 | G | 56.9 | Low | 60.4 | Low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -83.2 | -14.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L29 V30 | L29-G33 PolarHBondContact O-N 3.09Å; V30-G33 PolarHBondContact O-N 3.32Å; V30-G33 VanDerWaalsContact O-N 3.09Å |
| 34 | E | 49.7 | Very low | 57.9 | Low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | | | trans | -103.1 | 71.2 | -178 | -66.8 | -168.1 | 157.4 | 0 | 0 | 112.2 | | |
| 35 | Q | 44.8 | Very low | 55.4 | Low | 170 Ų | 170 | 131.5 Ų | 131.5 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | | | trans | -106.6 | 94.5 | 157.8 | -87.2 | -167.5 | -31.4 | 0 | 0 | 109.7 | W37 | Q35-W37 PolarHBondContact O-N 3.04Š|
| 36 | K | 46.3 | Very low | 53 | Low | 190 Ų | 190 | 132.3 Ų | 132.3 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | | | trans | -58.6 | 125 | 164 | -73.9 | 176.2 | 175.5 | 174.7 | 0 | 109.2 | D38 | K36-D38 PolarHBondContact O-N 3.22Š|
| 37 | W | 40.6 | Very low | 50.4 | Low | 228 Ų | 228 | 130.5 Ų | 130.5 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | | | trans | -87.5 | 97.6 | 170.1 | -75.2 | 70.4 | 0 | 0 | 0 | 108.1 | Q35 H39 | Q35-W37 PolarHBondContact O-N 3.04Å; W37-H39 PolarHBondContact O-N 3.42Å |
| 38 | D | 42.4 | Very low | 47.8 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | -79.6 | 103.4 | 165.3 | -75.3 | -33.5 | 0 | 0 | 0 | 108.5 | K36 | K36-D38 PolarHBondContact O-N 3.22Š|
| 39 | H | 38.2 | Very low | 45.2 | Very low | 165 Ų | 165 | 141 Ų | 141 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -77.3 | 116.6 | 162.9 | -99.7 | -59 | 0 | 0 | 0 | 108.3 | W37 | W37-H39 PolarHBondContact O-N 3.42Š|
| 40 | H | 41.3 | Very low | 43 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | -113.4 | 115.4 | 162.3 | -100.3 | -71.2 | 0 | 0 | 0 | 109.6 | | |
| 41 | D | 38.8 | Very low | 40.9 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -61.9 | 137.9 | 171.6 | -73 | -53.3 | 0 | 0 | 0 | 112.4 | | |
| 42 | A | 36.5 | Very low | 38.8 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -145.8 | 102.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 43 | H | 35.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | -56.5 | 142.2 | 176 | -73.2 | -94.7 | 0 | 0 | 0 | 113.2 | | |
| 44 | K | 36.8 | Very low | 35.9 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | | 178.7 | 134.2 | 108.3 | -95.5 | 178.2 | -176 | -176.4 | 0 | 112 | | |
| 45 | D | 36 | Very low | 34.9 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 69.2 | 97.7 | 152.1 | -50.4 | -27.7 | 0 | 0 | 0 | 118.9 | | |
| 46 | C | 33.7 | Very low | 34.1 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | | | trans | 154.7 | 110.7 | 130.1 | -74.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 47 | G | 28.3 | Very low | 33.4 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | -69.4 | 149 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 48 | V | 30.3 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 92% | 0.915 | 80% | 0.796 | S | S | * | * | | | | -150.4 | 138.6 | 114.9 | 172.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 49 | K | 28 | Very low | 32.2 | Very low | 203 Ų | 203 | 141.7 Ų | 141.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -67.5 | 143.7 | -176.5 | -75.8 | 170.9 | 168.2 | 173.7 | 0 | 113.7 | | |
| 50 | G | 27.6 | Very low | 31.7 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | 78.5 | 141.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 51 | V | 31 | Very low | 31.2 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | cis | -157.2 | 140.4 | 14.2 | -177.5 | 0 | 0 | 0 | 0 | 105.7 | | |
| 52 | G | 27.5 | Very low | 30.9 | Very low | 63 Ų | 63 | 143.8 Ų | 143.8 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | trans | -68.9 | 167.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 53 | P | 32.4 | Very low | 30.9 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -93.6 | 137.9 | -152.6 | 35.2 | -32 | 0 | 0 | 0 | 113.4 | | |
| 54 | G | 28.6 | Very low | 30.6 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | | | trans | 176.3 | 113.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 55 | Y | 28.9 | Very low | 30.3 | Very low | 231 Ų | 231 | 138.6 Ų | 138.6 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | 66.4 | 142.3 | 157.8 | -65.3 | -88.5 | 0 | 0 | 0 | 120.1 | | |
| 56 | E | 27.9 | Very low | 30 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -34.5 | 136.4 | 178.5 | -70.3 | 169.7 | 127.9 | 0 | 0 | 116.8 | | |
| 57 | K | 31.6 | Very low | 30.1 | Very low | 208 Ų | 208 | 145.4 Ų | 145.4 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | | | | -170.1 | 136.3 | 128 | -101.3 | 158.2 | -173.1 | -177.6 | 0 | 111.2 | | |
| 58 | S | 24.9 | Very low | 30.2 | Very low | 80 Ų | 80 | 145.5 Ų | 145.5 | 56% | 0.559 | 81% | 0.806 | S | S | * | * | | | trans | -69.4 | 145.4 | 169.2 | 40.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 59 | H | 32.7 | Very low | 30.2 | Very low | 168 Ų | 168 | 142 Ų | 142 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | | | trans | 176 | 115.7 | 136.2 | -96.6 | -76.1 | 0 | 0 | 0 | 107.8 | | |
| 60 | L | 27.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | | 50.2 | 145.1 | 104.6 | -96.5 | 99.4 | 0 | 0 | 0 | 115.1 | | |
| 61 | D | 31.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | | | cis | -177.5 | 139.9 | -27.7 | -115.7 | -8.7 | 0 | 0 | 0 | 102.7 | | |
| 62 | Y | 31 | Very low | 30.2 | Very low | 239 Ų | 239 | 147 Ų | 147 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | -165.6 | 127.6 | 155.3 | -126.6 | -94.4 | 0 | 0 | 0 | 111.2 | | |
| 63 | A | 36.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 70 | 93.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 64 | G | 29.8 | Very low | 30.2 | Very low | 62 Ų | 62 | 154.4 Ų | 154.4 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | | | cis | 91.3 | 76.4 | 29.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 65 | H | 30.9 | Very low | 30.3 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | 176.8 | 116.1 | 146.1 | -83.2 | -33.9 | 0 | 0 | 0 | 112.4 | | |
| 66 | F | 29.5 | Very low | 30.3 | Very low | 213 Ų | 213 | 152.2 Ų | 152.2 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | | | trans | -137.4 | 114.6 | 155.1 | -125.3 | -89.8 | 0 | 0 | 0 | 107.5 | | |
| 67 | K | 34.7 | Very low | 30.5 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | | | trans | -106.1 | 130.9 | 177 | -93.8 | -179.3 | 174.4 | 176.2 | 0 | 109.8 | | |
| 68 | G | 31.6 | Very low | 30.5 | Very low | 79 Ų | 79 | 149.8 Ų | 149.8 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | 90.1 | 132.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 69 | G | 29 | Very low | 30.9 | Very low | 77 Ų | 77 | 152.4 Ų | 152.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | cis | 178.2 | 146.7 | 5.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 70 | A | 27 | Very low | 31.1 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -59.5 | 142.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 71 | R | 27.5 | Very low | 31.7 | Very low | 246 Ų | 246 | 146.4 Ų | 146.4 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | | | trans | -139.2 | 120.7 | 144.8 | -85.7 | -170.3 | 161.8 | -169.5 | -6.6 | 110.1 | | |
| 72 | K | 33.4 | Very low | 32 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 149.1 | -177.2 | -67.6 | -179.6 | 176.3 | -177.1 | 0 | 112.1 | G91 | K72-G91 PolarHBondContact NZ-O 2.94Å; K72-G91 VanDerWaalsContact NZ-O 3.09Å |
| 73 | F | 28.5 | Very low | 32.2 | Very low | 201 Ų | 201 | 132.6 Ų | 132.6 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.6 | -174 | -65.9 | -99.2 | 0 | 0 | 0 | 112.9 | | |
| 74 | L | 30.2 | Very low | 32.1 | Very low | 160 Ų | 160 | 134 Ų | 134 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 132.4 | 159.1 | -88.6 | 155.5 | 0 | 0 | 0 | 108.5 | I76 | L74-I76 PolarHBondContact O-N 3.46Š|
| 75 | P | 30.9 | Very low | 32.3 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 49% | 0.494 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 131.9 | 174.2 | 25.5 | -31 | 0 | 0 | 0 | 110.5 | Y77 | P75-Y77 HydrophobicContact CG-CE2 4.39Š|
| 76 | I | 30 | Very low | 32.3 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | | | trans | -93.1 | 112.3 | 173.9 | -59.6 | 173.1 | 0 | 0 | 0 | 107.1 | L74 | L74-I76 PolarHBondContact O-N 3.46Š|
| 77 | Y | 30.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 60% | 0.6 | 67% | 0.672 | S | S | * | * | | | trans | -75.5 | 133.5 | 173.7 | -64.4 | -91.1 | 0 | 0 | 0 | 110.1 | P75 | P75-Y77 HydrophobicContact CG-CE2 4.39Š|
| 78 | K | 32 | Very low | 32.4 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 77% | 0.774 | 67% | 0.669 | S | S | * | * | | | trans | -116.3 | 105.9 | 170.6 | -165 | -175.5 | -178 | -177.1 | 0 | 109 | V80 | K78-V80 HydrophobicContact CD-CG2 4.13Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-V80 PolarHBondContact O-N 3.03Å |
| 79 | K | 34.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | | | trans | -72.7 | 111.2 | 167.6 | -109.5 | 179.6 | 173.8 | 177.4 | 0 | 108.6 | E84 | K79-E84 WeakPolarHBondContact CE-OE1 3.15Å; K79-E84 HydrophobicContact CG-CG 4.3Å; K79-E84 IonicContact NZ-OE1 3.71Å |
| 80 | V | 36.6 | Very low | 32.4 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 48% | 0.479 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -121.1 | 117.2 | 163.9 | 176.2 | 0 | 0 | 0 | 0 | 105.1 | K78 G82 L556 | K78-V80 HydrophobicContact CD-CG2 4.13Å; K78-V80 HydrophobicContact CG-CG2 4.1Å; K78-V80 PolarHBondContact O-N 3.03Å; V80-G82 PolarHBondContact O-N 3.43Å; V80-L556 WeakPolarHBondContact O-CD1 3.39Å |
| 81 | H | 39.9 | Very low | 32.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 50% | 0.5 | 66% | 0.663 | S | S | . | * | S | Bend | trans | 68.5 | 9.4 | 170.8 | -83.2 | -76.8 | 0 | 0 | 0 | 118.8 | V555 L556 | H81-V555 WeakPolarHBondContact CB-O 3.21Å; H81-V555 PolarHBondContact ND1-O 3.47Å; H81-V555 CarbonylContact O-C 3.03Å; H81-L556 HydrophobicContact CB-CD1 3.85Å; H81-L556 HydrophobicContact CB-CG 4.24Å; H81-L556 WeakPolarHBondContact O-CA 3.43Å; H81-L556 WeakPolarHBondContact O-CB 3.34Å; H81-L556 VanDerWaalsContact O-CD1 3.31Å; H81-L556 WeakPolarHBondContact O-CD1 3.44Å; H81-L556 PolarHBondContact O-N 3.17Å |
| 82 | G | 39.1 | Very low | 32.6 | Very low | 23 Ų | 23 | 126.5 Ų | 126.5 | 24% | 0.237 | 66% | 0.656 | C | S | . | * | S | Bend | trans | 100.1 | 33.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | V80 E554 L556 | V80-G82 PolarHBondContact O-N 3.43Å; G82-E554 VanDerWaalsContact CA-OE1 3.28Å; G82-E554 WeakPolarHBondContact CA-OE1 3.31Å; G82-L556 VanDerWaalsContact C-CD1 3.46Å |
| 83 | E | 33.8 | Very low | 32.2 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 30% | 0.299 | 67% | 0.665 | S | S | . | * | | | trans | -157.9 | 130.5 | 176.4 | -73.3 | -172.5 | -180 | 0 | 0 | 105.6 | L556 K558 | E83-L556 HydrophobicContact CB-CB 4.36Å; E83-L556 HydrophobicContact CB-CD1 3.3Å; E83-L556 HydrophobicContact CB-CD2 3.54Å; E83-L556 HydrophobicContact CB-CG 3.82Å; E83-L556 HydrophobicContact CG-CB 3.68Å; E83-L556 HydrophobicContact CG-CD1 3.63Å; E83-L556 HydrophobicContact CG-CD2 3.18Å; E83-L556 HydrophobicContact CG-CG 3.57Å; E83-L556 WeakPolarHBondContact OE1-CD2 3.37Å; E83-L556 WeakPolarHBondContact OE2-CD2 3.08Å; E83-K558 VanDerWaalsContact CD-CE 3.49Å; E83-K558 VanDerWaalsContact OE1-CD 3.23Å; E83-K558 WeakPolarHBondContact OE1-CD 3.42Å; E83-K558 VanDerWaalsContact OE1-CE 3.25Å; E83-K558 WeakPolarHBondContact OE1-CE 3.44Å; E83-K558 IonicContact OE1-NZ 2.73Å; E83-K558 PolarHBondContact OE1-NZ 3.2Å; E83-K558 VanDerWaalsContact OE2-CD 3.27Å; E83-K558 WeakPolarHBondContact OE2-CD 3.46Å; E83-K558 WeakPolarHBondContact OE2-CE 3.48Å; E83-K558 VanDerWaalsContact OE2-CG 3.26Å; E83-K558 WeakPolarHBondContact OE2-CG 3.46Å; E83-K558 IonicContact OE2-NZ 3.13Å; E83-K558 PolarHBondContact OE2-NZ 3.32Å; E83-K558 VanDerWaalsContact OE2-NZ 3.13Å |
| 84 | E | 35.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | | | trans | -97.2 | 113.5 | -179.1 | -63 | -179.8 | 166.1 | 0 | 0 | 107.7 | K79 | K79-E84 WeakPolarHBondContact CE-OE1 3.15Å; K79-E84 HydrophobicContact CG-CG 4.3Å; K79-E84 IonicContact NZ-OE1 3.71Å |
| 85 | K | 33 | Very low | 32.2 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | | | trans | -98.5 | 113.3 | 167.6 | -77.6 | -174.3 | 178.1 | 178.9 | 0 | 109.4 | | |
| 86 | A | 32.1 | Very low | 32.3 | Very low | 67 Ų | 67 | 120.1 Ų | 120.1 | 55% | 0.554 | 67% | 0.669 | S | S | * | * | | | trans | -77.8 | 134.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | V | 32.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | | | trans | -115.6 | 106.9 | 169.3 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | F | 33.2 | Very low | 32.7 | Very low | 186 Ų | 186 | 120 Ų | 120 | 82% | 0.816 | 68% | 0.675 | S | S | * | * | | | trans | -94.6 | 136.4 | 173.1 | -98.2 | -94.9 | 0 | 0 | 0 | 109.8 | | |
| 89 | V | 33.1 | Very low | 33 | Very low | 140 Ų | 140 | 116.6 Ų | 116.6 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | | | trans | -120.2 | 115.7 | 162 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 90 | K | 28.2 | Very low | 32.9 | Very low | 209 Ų | 209 | 118.6 Ų | 118.6 | 91% | 0.909 | 68% | 0.682 | S | S | * | * | | | trans | -95.5 | 145.2 | -172.8 | -157.1 | -178.7 | -173.4 | -178.7 | 0 | 110.5 | | |
| 91 | G | 28.8 | Very low | 32.8 | Very low | 51 Ų | 51 | 123.7 Ų | 123.7 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | | | trans | 169.7 | 118.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | K72 | K72-G91 PolarHBondContact NZ-O 2.94Å; K72-G91 VanDerWaalsContact NZ-O 3.09Å |
| 92 | G | 28.7 | Very low | 32.6 | Very low | 77 Ų | 77 | 127.3 Ų | 127.3 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | | | cis | 141.6 | 127.3 | 17.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 93 | C | 26.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 134 Ų | 134 | 97% | 0.973 | 74% | 0.742 | S | S | * | * | | | trans | -88.3 | 164.9 | -156.4 | -54.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 94 | G | 28.9 | Very low | 32.9 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | 173.1 | 156.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 95 | A | 29.2 | Very low | 32.9 | Very low | 83 Ų | 83 | 139.6 Ų | 139.6 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | | -158.9 | 160.6 | -88.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 96 | H | 33.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | 84.7 | 137.2 | 158.7 | -62 | -67.7 | 0 | 0 | 0 | 122.5 | | |
| 97 | D | 32 | Very low | 33.3 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -75.7 | 160.8 | -174.7 | -53.9 | -74.1 | 0 | 0 | 0 | 115.2 | | |
| 98 | H | 35.3 | Very low | 33.7 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | | 170.7 | 151.2 | 114.5 | -92.6 | -69.9 | 0 | 0 | 0 | 112.3 | | |
| 99 | P | 38.7 | Very low | 33.9 | Very low | 105 Ų | 105 | 150 Ų | 150 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | -105.6 | 169.6 | -177.4 | 40.6 | -31.9 | 0 | 0 | 0 | 115.1 | | |
| 100 | E | 32.2 | Very low | 34.1 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | 71.2 | 124.5 | 159.5 | -71.2 | 177.4 | -168.6 | 0 | 0 | 121.5 | | |
| 101 | H | 35.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | -166 | 116.8 | 139 | -103.4 | -68.8 | 0 | 0 | 0 | 110.7 | | |
| 102 | E | 34.6 | Very low | 34.9 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -81.1 | 147.5 | 163.1 | -70.5 | -177 | 144.3 | 0 | 0 | 110.5 | | |
| 103 | H | 40.2 | Very low | 35.1 | Very low | 164 Ų | 164 | 158.3 Ų | 158.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -162.4 | 111.8 | 151.2 | -101.1 | -79.1 | 0 | 0 | 0 | 112.6 | | |
| 104 | H | 39.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 158.2 Ų | 158.2 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | trans | 49.3 | 117.7 | 135.9 | -67.9 | -86.6 | 0 | 0 | 0 | 124.8 | | |
| 105 | E | 35.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 160.8 Ų | 160.8 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | | 40.5 | 130.3 | 119.3 | -66.5 | 176 | 138 | 0 | 0 | 122.6 | | |
| 106 | K | 39.4 | Very low | 35.8 | Very low | 212 Ų | 212 | 165.2 Ų | 165.2 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | | | | -173.7 | 127.5 | 116.1 | -99.9 | 166.6 | -174.7 | 177.9 | 0 | 113 | | |
| 107 | E | 34.4 | Very low | 36 | Very low | 187 Ų | 187 | 165.2 Ų | 165.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 161.4 | 167.2 | -67.1 | 178.1 | 126.5 | 0 | 0 | 112.5 | | |
| 108 | E | 39.2 | Very low | 36.2 | Very low | 149 Ų | 149 | 166.4 Ų | 166.4 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | | | | -174.9 | 130.9 | 124.4 | -99.7 | -163.9 | 157.2 | 0 | 0 | 114.9 | | |
| 109 | R | 37.4 | Very low | 36.4 | Very low | 197 Ų | 197 | 163.7 Ų | 163.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | 70.9 | 97.7 | 134.7 | -65.2 | 178.3 | -168.8 | -164.3 | 11 | 123.9 | | |
| 110 | H | 37.6 | Very low | 36.3 | Very low | 176 Ų | 176 | 165.4 Ų | 165.4 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | | 32.4 | 126.8 | 112.4 | -79.1 | -61.9 | 0 | 0 | 0 | 123.8 | | |
| 111 | K | 39.7 | Very low | 36.6 | Very low | 170 Ų | 170 | 165.9 Ų | 165.9 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | | | | 139 | 124.4 | 105.3 | -99 | 166.3 | -174.9 | 178.6 | 0 | 117.2 | | |
| 112 | R | 33.9 | Very low | 36.7 | Very low | 237 Ų | 237 | 166.4 Ų | 166.4 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | 69.3 | 138.2 | 133.5 | -76.6 | -179.3 | 179.1 | -172.9 | -1.4 | 124.1 | | |
| 113 | G | 33.8 | Very low | 36.8 | Very low | 68 Ų | 68 | 164.8 Ų | 164.8 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 119.5 | 89.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 114 | V | 30.2 | Very low | 36.5 | Very low | 142 Ų | 142 | 161.3 Ų | 161.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | | 54 | 119.1 | 90.4 | -174.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 115 | V | 34.1 | Very low | 36.2 | Very low | 128 Ų | 128 | 163.1 Ų | 163.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | | 173.1 | 129.5 | 123.5 | 160.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 116 | E | 34.3 | Very low | 36 | Very low | 176 Ų | 176 | 167.7 Ų | 167.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -77.7 | 146.6 | 172.4 | -66.8 | 177.6 | 143.4 | 0 | 0 | 111.7 | | |
| 117 | H | 38.4 | Very low | 35.5 | Very low | 182 Ų | 182 | 168.1 Ų | 168.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -159.5 | 103.6 | 147.3 | -105.9 | -72.8 | 0 | 0 | 0 | 109.9 | | |
| 118 | H | 36.1 | Very low | 35.4 | Very low | 158 Ų | 158 | 162.9 Ų | 162.9 | 73% | 0.731 | 80% | 0.8 | S | S | * | * | | | | 31.8 | 140.1 | 124.8 | -96.9 | -78.5 | 0 | 0 | 0 | 122.9 | | |
| 119 | D | 39.1 | Very low | 35 | Very low | 128 Ų | 128 | 163 Ų | 163 | 68% | 0.684 | 81% | 0.811 | S | S | * | * | | | trans | 101.9 | 95.3 | 145.5 | -53.5 | -25 | 0 | 0 | 0 | 119.5 | | |
| 120 | D | 36.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 156.8 Ų | 156.8 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | | | | 22.6 | 120.5 | 123.1 | -62.5 | -31.3 | 0 | 0 | 0 | 118.8 | | |
| 121 | H | 38.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | | | | 167.9 | 106.5 | 125.3 | -93.7 | -70.6 | 0 | 0 | 0 | 109.3 | | |
| 122 | H | 37.3 | Very low | 33.7 | Very low | 198 Ų | 198 | 150.6 Ų | 150.6 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | trans | -107.8 | 107.3 | 163.6 | -82.6 | -46.8 | 0 | 0 | 0 | 109.4 | | |
| 123 | D | 38.5 | Very low | 33.5 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | | | trans | -146.6 | 137.8 | 157.9 | -117.2 | -30.1 | 0 | 0 | 0 | 112.2 | | |
| 124 | C | 32.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 62% | 0.615 | 82% | 0.818 | S | S | * | * | | | trans | 68.6 | 110.7 | 156.5 | -71.9 | 0 | 0 | 0 | 0 | 121 | | |
| 125 | K | 32.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 157.9 Ų | 157.9 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | | | trans | 64.6 | 130 | 130.2 | -62.7 | 170.8 | -177.5 | 167.8 | 0 | 115.9 | | |
| 126 | W | 33.1 | Very low | 32.9 | Very low | 260 Ų | 260 | 156.6 Ų | 156.6 | 99% | 0.985 | 82% | 0.817 | S | S | * | * | | | | -163.9 | 136.8 | 126.4 | -93.4 | 16.7 | 0 | 0 | 0 | 109 | | |
| 127 | K | 29.1 | Very low | 32.7 | Very low | 221 Ų | 221 | 157.5 Ų | 157.5 | 96% | 0.961 | 82% | 0.82 | S | S | * | * | | | trans | -75.1 | 131 | 167.9 | -74 | 176.3 | 173.5 | 177.1 | 0 | 107.6 | | |
| 128 | G | 31.3 | Very low | 32.2 | Very low | 77 Ų | 77 | 155.4 Ų | 155.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -143.1 | 132.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 129 | V | 30.7 | Very low | 32.2 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | | | trans | -76.3 | 146.7 | -168.6 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 130 | G | 24.6 | Very low | 31.6 | Very low | 66 Ų | 66 | 160.1 Ų | 160.1 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | | | trans | -77 | -161 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 131 | P | 32.8 | Very low | 31.4 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | cis | -119.2 | 160.9 | -24 | 37 | -22 | 0 | 0 | 0 | 112.3 | | |
| 132 | G | 29.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 152.6 Ų | 152.6 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | | | trans | -154.5 | 141.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 133 | Y | 29.9 | Very low | 30.6 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -66.7 | 156.7 | -171 | -82.4 | -110.3 | 0 | 0 | 0 | 115.6 | | |
| 134 | E | 28.4 | Very low | 30 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | | | trans | 39.6 | 116.5 | 148.2 | -73.7 | 180 | 143 | 0 | 0 | 120.4 | | |
| 135 | K | 32.2 | Very low | 30.1 | Very low | 208 Ų | 208 | 160.9 Ų | 160.9 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | | | | -159.1 | 127.6 | 127.2 | -106.6 | 164.1 | -172.2 | -178.7 | 0 | 110.7 | | |
| 136 | S | 24.8 | Very low | 29.8 | Very low | 102 Ų | 102 | 155.9 Ų | 155.9 | 71% | 0.713 | 84% | 0.844 | S | S | * | * | | | trans | -56.3 | 139.5 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 137 | H | 31.3 | Very low | 29.5 | Very low | 195 Ų | 195 | 147 Ų | 147 | 90% | 0.903 | 83% | 0.833 | S | S | * | * | | | trans | -139 | 120.9 | 141.3 | -88.7 | -80.9 | 0 | 0 | 0 | 108.9 | | |
| 138 | L | 27.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 72% | 0.723 | 83% | 0.829 | S | S | * | * | | | trans | -99.4 | 117.5 | -178.5 | -140 | 152.5 | 0 | 0 | 0 | 105.2 | Y140 | L138-Y140 HydrophobicContact CD2-CD2 3.66Å; L138-Y140 HydrophobicContact CD2-CE2 4.26Å |
| 139 | D | 35 | Very low | 29.3 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | trans | -122.7 | 110.8 | 165.2 | -92.8 | -30.3 | 0 | 0 | 0 | 109.4 | | |
| 140 | Y | 27 | Very low | 29.3 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | | | trans | -85.8 | 114.4 | 176.2 | -126.7 | -101 | 0 | 0 | 0 | 108.1 | L138 | L138-Y140 HydrophobicContact CD2-CD2 3.66Å; L138-Y140 HydrophobicContact CD2-CE2 4.26Å |
| 141 | A | 33.3 | Very low | 29.4 | Very low | 101 Ų | 101 | 157 Ų | 157 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | | | trans | -147.4 | 99.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 142 | G | 27.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 157.7 Ų | 157.7 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -67.1 | 148.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 143 | K | 31.3 | Very low | 29.2 | Very low | 201 Ų | 201 | 158.7 Ų | 158.7 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -169.9 | 92.3 | 149.3 | -103.1 | 162.8 | -168.4 | 177.1 | 0 | 109 | | |
| 144 | F | 25.9 | Very low | 29.1 | Very low | 216 Ų | 216 | 156.2 Ų | 156.2 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | | | trans | -104.1 | 98.3 | 163.2 | -137.1 | -90.1 | 0 | 0 | 0 | 108.3 | G146 | F144-G146 PolarHBondContact O-N 3.5Š|
| 145 | K | 33.1 | Very low | 29 | Very low | 197 Ų | 197 | 157.7 Ų | 157.7 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | | | trans | -85.4 | 104.4 | 172.6 | -87.9 | -173.8 | 174 | -178 | 0 | 110 | | |
| 146 | G | 27.7 | Very low | 28.8 | Very low | 79 Ų | 79 | 157.3 Ų | 157.3 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | trans | 34.1 | 127.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | F144 | F144-G146 PolarHBondContact O-N 3.5Š|
| 147 | G | 27.4 | Very low | 29 | Very low | 73 Ų | 73 | 162 Ų | 162 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | 177.3 | 56.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R149 | G147-R149 PolarHBondContact O-N 3.23Š|
| 148 | A | 27.3 | Very low | 29 | Very low | 106 Ų | 106 | 158.8 Ų | 158.8 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | | | trans | -63.6 | 116.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 149 | R | 27.6 | Very low | 29.1 | Very low | 212 Ų | 212 | 161.3 Ų | 161.3 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | | | trans | -108.6 | 109.2 | 166.7 | -83.9 | -176 | 160.4 | -166.1 | -4.9 | 108.9 | G147 | G147-R149 PolarHBondContact O-N 3.23Š|
| 150 | K | 30.5 | Very low | 28.9 | Very low | 202 Ų | 202 | 156.8 Ų | 156.8 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.3 | 170 | -65.6 | 179.7 | 177.7 | -179.4 | 0 | 108.8 | | |
| 151 | F | 26.2 | Very low | 28.9 | Very low | 206 Ų | 206 | 155.2 Ų | 155.2 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 117.4 | 162.9 | -74.8 | -92.2 | 0 | 0 | 0 | 107.5 | | |
| 152 | L | 29.4 | Very low | 28.8 | Very low | 156 Ų | 156 | 159.9 Ų | 159.9 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 121.2 | 165.8 | -88.6 | 154.5 | 0 | 0 | 0 | 107.8 | I154 | L152-I154 PolarHBondContact O-N 3.43Š|
| 153 | P | 29.7 | Very low | 28.6 | Very low | 95 Ų | 95 | 166.3 Ų | 166.3 | 62% | 0.617 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -71 | 118.6 | 170.5 | 26.2 | -28.9 | 0 | 0 | 0 | 109.6 | Y155 | P153-Y155 HydrophobicContact CB-CD2 4.22Å; P153-Y155 HydrophobicContact CB-CE2 3.86Å; P153-Y155 HydrophobicContact CG-CD2 4.48Å; P153-Y155 HydrophobicContact CG-CE2 4.05Å; P153-Y155 PolarHBondContact O-N 3.08Å |
| 154 | I | 28.4 | Very low | 28.4 | Very low | 167 Ų | 167 | 165.9 Ų | 165.9 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | | | trans | -80.6 | 100.1 | 172.2 | -59 | 173.3 | 0 | 0 | 0 | 107.3 | L152 | L152-I154 PolarHBondContact O-N 3.43Š|
| 155 | Y | 26.7 | Very low | 28.3 | Very low | 204 Ų | 204 | 161.1 Ų | 161.1 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | | | trans | -85.1 | 124.2 | 163.8 | -73.6 | -84.5 | 0 | 0 | 0 | 109.1 | P153 K157 | P153-Y155 HydrophobicContact CB-CD2 4.22Å; P153-Y155 HydrophobicContact CB-CE2 3.86Å; P153-Y155 HydrophobicContact CG-CD2 4.48Å; P153-Y155 HydrophobicContact CG-CE2 4.05Å; P153-Y155 PolarHBondContact O-N 3.08Å; Y155-K157 PolarHBondContact O-N 3.35Å |
| 156 | K | 26.4 | Very low | 28.1 | Very low | 201 Ų | 201 | 158.6 Ų | 158.6 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -82.4 | 101.9 | 167.6 | -170.2 | -179.4 | -178 | -173 | 0 | 107.1 | | |
| 157 | K | 30.1 | Very low | 28 | Very low | 201 Ų | 201 | 160.5 Ų | 160.5 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 122.7 | 169.3 | -130.4 | -179 | -177.9 | -171.9 | 0 | 107.8 | Y155 | Y155-K157 PolarHBondContact O-N 3.35Š|
| 158 | V | 31 | Very low | 27.9 | Very low | 127 Ų | 127 | 167.1 Ų | 167.1 | 77% | 0.77 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 136.3 | 171.3 | 176.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 159 | H | 30.7 | Very low | 27.8 | Very low | 191 Ų | 191 | 165.8 Ų | 165.8 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.9 | -177.7 | -95.3 | -95.3 | 0 | 0 | 0 | 112.8 | | |
| 160 | G | 29.7 | Very low | 27.5 | Very low | 71 Ų | 71 | 159.3 Ų | 159.3 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | | | trans | -160.1 | 119.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 161 | E | 28 | Very low | 27.4 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -55 | 138 | -165.3 | -60 | 171.3 | 139 | 0 | 0 | 113.2 | | |
| 162 | E | 29.8 | Very low | 27.5 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 94% | 0.935 | 83% | 0.827 | S | S | * | * | | | trans | -165.8 | 123.7 | 141.7 | -106.4 | 163.7 | -154 | 0 | 0 | 109.1 | | |
| 163 | K | 24.4 | Very low | 27.4 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | | | trans | -80.7 | 135.2 | -177.8 | -67.4 | 168.9 | 177.2 | 170.6 | 0 | 108.9 | | |
| 164 | E | 27.3 | Very low | 27.4 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | | | trans | -146.3 | 126.8 | 144.4 | -146 | 176.5 | -172.4 | 0 | 0 | 110.6 | | |
| 165 | V | 23.4 | Very low | 27.7 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 70% | 0.703 | 83% | 0.831 | S | S | * | * | | | trans | -98.3 | 128 | -175.9 | 172.6 | 0 | 0 | 0 | 0 | 107.4 | V167 | V165-V167 HydrophobicContact CG1-CG2 4.06Š|
| 166 | V | 29.4 | Very low | 28.3 | Very low | 143 Ų | 143 | 149 Ų | 149 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | | | trans | -134.3 | 110.7 | 157.1 | -177.5 | 0 | 0 | 0 | 0 | 109 | | |
| 167 | V | 24.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -106.3 | 131 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 108.2 | V165 | V165-V167 HydrophobicContact CG1-CG2 4.06Š|
| 168 | K | 26 | Very low | 28.9 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | | | trans | 169.8 | 133.7 | 149.5 | -99.4 | 173.5 | -178.2 | -178.7 | 0 | 107.2 | | |
| 169 | G | 24 | Very low | 29.4 | Very low | 78 Ų | 78 | 147.2 Ų | 147.2 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | cis | -167.6 | 153.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 170 | G | 22.9 | Very low | 29.5 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -92 | 166.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 171 | C | 27.8 | Very low | 30.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 95% | 0.946 | 83% | 0.828 | S | S | * | * | | | trans | -160.5 | 131.6 | 145.9 | -79.5 | 0 | 0 | 0 | 0 | 103.4 | | |
| 172 | G | 28.1 | Very low | 30.4 | Very low | 78 Ų | 78 | 149.4 Ų | 149.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | cis | 128.6 | 128.2 | 30.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 173 | A | 27.3 | Very low | 30.8 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | | | trans | -54.7 | 158.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 174 | H | 30 | Very low | 31.3 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | | | trans | -158.1 | 112.7 | 130.5 | -108.5 | -75.5 | 0 | 0 | 0 | 110.8 | | |
| 175 | D | 34.6 | Very low | 31.7 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | trans | -71.2 | 139.9 | 157.8 | -75.2 | -51.1 | 0 | 0 | 0 | 109.4 | | |
| 176 | H | 38.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -146.3 | 125.6 | 152.6 | -93.5 | -74.4 | 0 | 0 | 0 | 110.3 | | |
| 177 | K | 36.3 | Very low | 32.4 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | trans | -79.3 | 139.9 | 169.5 | -83 | 174.9 | 170.3 | 177.4 | 0 | 110.8 | | |
| 178 | E | 33.5 | Very low | 33.2 | Very low | 170 Ų | 170 | 155 Ų | 155 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | 23.4 | 148.8 | 137.3 | -107.2 | 172.4 | -165.9 | 0 | 0 | 121.4 | | |
| 179 | P | 41.3 | Very low | 33.8 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | | | | -145.8 | 171.4 | 77.6 | 37.3 | -18 | 0 | 0 | 0 | 117.6 | | |
| 180 | E | 33.8 | Very low | 34.4 | Very low | 148 Ų | 148 | 161.7 Ų | 161.7 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | | | trans | -51.6 | 146.6 | 174.5 | -56.3 | 174.9 | 145.1 | 0 | 0 | 115.2 | | |
| 181 | H | 40.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 162 Ų | 162 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | | | trans | -133.9 | 109.4 | 153.6 | -110.6 | -81.4 | 0 | 0 | 0 | 109.5 | | |
| 182 | H | 34.9 | Very low | 35.3 | Very low | 147 Ų | 147 | 159.8 Ų | 159.8 | 68% | 0.681 | 81% | 0.807 | S | S | * | * | | | trans | -74.9 | 139.5 | 164.3 | -88.8 | -70.2 | 0 | 0 | 0 | 110.2 | | |
| 183 | E | 38.3 | Very low | 35.6 | Very low | 186 Ų | 186 | 163.4 Ų | 163.4 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | | | trans | -152.4 | 121.3 | 142.6 | -118.6 | 175.2 | -175.6 | 0 | 0 | 111.2 | | |
| 184 | K | 34.2 | Very low | 35.9 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -94.8 | 143.4 | 168.6 | -74.8 | 172.9 | 174.9 | 171.6 | 0 | 107.8 | | |
| 185 | Q | 37.1 | Very low | 36 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | -169.8 | 105.3 | 150.6 | -103.1 | 164.3 | 54.6 | 0 | 0 | 107.4 | | |
| 186 | E | 36.9 | Very low | 36.1 | Very low | 158 Ų | 158 | 159.1 Ų | 159.1 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | | | | 80.5 | 112.3 | 86.6 | -90.8 | -157.8 | 135.1 | 0 | 0 | 116 | | |
| 187 | R | 31 | Very low | 36.1 | Very low | 191 Ų | 191 | 156 Ų | 156 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | | | trans | 46.1 | 128.7 | 134.3 | -70.3 | 177.9 | 168.1 | -164.3 | -0.3 | 119.7 | | |
| 188 | H | 41.1 | Very low | 36.3 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | | -153 | 139.1 | 124.9 | -97.4 | -69.9 | 0 | 0 | 0 | 113.5 | | |
| 189 | K | 38.3 | Very low | 36.6 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | | | trans | -86.5 | 161.4 | -175.9 | -64.3 | 169.5 | 171.5 | 176.4 | 0 | 113.3 | | |
| 190 | R | 36.6 | Very low | 36.3 | Very low | 251 Ų | 251 | 151.8 Ų | 151.8 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | | | trans | 167.2 | 119.3 | 132 | -91.6 | 164.8 | -172.8 | -154.4 | 2.7 | 107.8 | | |
| 191 | G | 33.5 | Very low | 36.4 | Very low | 84 Ų | 84 | 151.6 Ų | 151.6 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | | 85 | 135.4 | 73.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 192 | A | 34.7 | Very low | 35.8 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | cis | -165.3 | 141.3 | 17.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 193 | V | 35 | Very low | 35.8 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | | | | 74.6 | 124.1 | 99.9 | -173.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 194 | G | 33.3 | Very low | 35.4 | Very low | 80 Ų | 80 | 147 Ų | 147 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 114.2 | 130.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 195 | G | 33.2 | Very low | 35 | Very low | 76 Ų | 76 | 148.1 Ų | 148.1 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | cis | 171.1 | 166 | 3.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 196 | H | 37.3 | Very low | 34.6 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | 72.8 | 110.4 | 173.1 | -100 | -79.6 | 0 | 0 | 0 | 118.4 | | |
| 197 | V | 37.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 67% | 0.667 | 80% | 0.803 | S | S | * | * | | | cis | 72.1 | 100.7 | 49.5 | -173.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 198 | D | 39.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 63% | 0.631 | 80% | 0.803 | S | S | * | * | | | | 175.7 | 134.7 | 113.6 | -93.5 | -36.7 | 0 | 0 | 0 | 115.4 | | |
| 199 | H | 39.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | 55.3 | 145.7 | 151 | -61 | -53.7 | 0 | 0 | 0 | 121.2 | | |
| 200 | N | 35.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | cis | -174.1 | 162.4 | -22.4 | -116.5 | -16.1 | 0 | 0 | 0 | 104.6 | | |
| 201 | D | 35.7 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | 87.7 | 77.7 | 160.2 | -51.5 | -29.1 | 0 | 0 | 0 | 120.4 | | |
| 202 | C | 29.1 | Very low | 32.2 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | | 15.3 | 109.1 | 112.6 | -77.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 203 | K | 33.6 | Very low | 31.9 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | | 160.5 | 126.7 | 103.7 | -93.2 | 167.8 | -177 | 176.6 | 0 | 114.6 | | |
| 204 | V | 30.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 75.7 | 101.2 | 140.5 | -171.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 205 | K | 26.1 | Very low | 31.3 | Very low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | 13.8 | 117.2 | 132.8 | -64.4 | 179.6 | 177.1 | 176.9 | 0 | 119 | | |
| 206 | G | 27.5 | Very low | 31.1 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -157.3 | 116 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 207 | V | 28.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 92% | 0.915 | 78% | 0.782 | S | S | * | * | | | trans | -88.3 | 134.7 | -174.4 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 208 | G | 26 | Very low | 30.2 | Very low | 70 Ų | 70 | 146.9 Ų | 146.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 173.5 | 94 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 209 | P | 30.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -84.4 | 147.2 | 163.8 | 35 | -27.7 | 0 | 0 | 0 | 108.4 | | |
| 210 | G | 26.4 | Very low | 29.1 | Very low | 61 Ų | 61 | 142.2 Ų | 142.2 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 109.1 | 129.5 | 39.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 211 | Y | 29.2 | Very low | 28.8 | Very low | 225 Ų | 225 | 146.1 Ų | 146.1 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | 99.7 | 89.2 | 159.2 | -53.5 | -75 | 0 | 0 | 0 | 119.7 | | |
| 212 | E | 27.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | | | trans | -66.5 | 142.5 | 139.9 | -116.7 | -172.2 | 129.9 | 0 | 0 | 111.3 | | |
| 213 | K | 28.1 | Very low | 28.4 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | | | trans | 46.6 | 108.4 | 153.7 | -68.8 | 169.6 | -176.6 | 136.5 | 0 | 119.6 | | |
| 214 | S | 28.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -146.8 | 129.8 | 140 | 46.2 | 0 | 0 | 0 | 0 | 111 | | |
| 215 | H | 26.9 | Very low | 27.9 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | | | trans | -69.3 | 135.8 | 166.4 | -82.2 | -98.1 | 0 | 0 | 0 | 109.4 | | |
| 216 | L | 28.6 | Very low | 27.9 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -164 | 116.1 | 154.1 | -108.1 | 154.1 | 0 | 0 | 0 | 110.4 | | |
| 217 | D | 28.7 | Very low | 27.8 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -62.1 | 130.2 | 172.6 | -73 | -51.6 | 0 | 0 | 0 | 111.6 | | |
| 218 | Y | 28.2 | Very low | 27.8 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | | | trans | -146.9 | 117.7 | 154 | -112.6 | -86.3 | 0 | 0 | 0 | 110.5 | G220 | Y218-G220 PolarHBondContact O-N 3.4Š|
| 219 | A | 26.9 | Very low | 27.7 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -57 | 116.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 220 | G | 30.4 | Very low | 27.7 | Very low | 71 Ų | 71 | 156.2 Ų | 156.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -130.4 | 83.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y218 F222 | Y218-G220 PolarHBondContact O-N 3.4Å; G220-F222 PolarHBondContact O-N 3Å |
| 221 | K | 28.8 | Very low | 27.6 | Very low | 213 Ų | 213 | 157.3 Ų | 157.3 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -59.4 | 119.4 | 167.9 | -74.2 | 174.6 | 178 | 169.3 | 0 | 109.6 | | |
| 222 | F | 27.2 | Very low | 27.5 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -112.5 | 106.3 | 166.5 | -130.6 | -92.5 | 0 | 0 | 0 | 111.2 | G220 | G220-F222 PolarHBondContact O-N 3Š|
| 223 | K | 27.3 | Very low | 27.3 | Very low | 211 Ų | 211 | 156.8 Ų | 156.8 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | | | trans | -78.6 | 115.1 | 165.4 | -76.3 | 177.3 | 173.6 | 175.9 | 0 | 108.2 | | |
| 224 | G | 28.1 | Very low | 27.1 | Very low | 75 Ų | 75 | 156.3 Ų | 156.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -132.6 | 120.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 225 | G | 27.5 | Very low | 27.2 | Very low | 77 Ų | 77 | 158.5 Ų | 158.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | 107.7 | 73.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | R227 | G225-R227 PolarHBondContact O-N 3.44Š|
| 226 | A | 25.9 | Very low | 27.1 | Very low | 79 Ų | 79 | 155.1 Ų | 155.1 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | | | trans | -65.2 | 119.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K228 | A226-K228 PolarHBondContact O-N 3Š|
| 227 | R | 24.9 | Very low | 27.2 | Very low | 223 Ų | 223 | 154.5 Ų | 154.5 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | -71.3 | 114.1 | 167.3 | -77 | 177.9 | 163.7 | -175.3 | -4.3 | 109.4 | G225 | G225-R227 PolarHBondContact O-N 3.44Š|
| 228 | K | 28.5 | Very low | 27.2 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 119.4 | 163.4 | -69.4 | -176.6 | 178.9 | -178.8 | 0 | 107.9 | A226 | A226-K228 PolarHBondContact O-N 3Š|
| 229 | F | 24.8 | Very low | 27.1 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 122.1 | 163.7 | -73.7 | -90.5 | 0 | 0 | 0 | 107.6 | | |
| 230 | L | 29.1 | Very low | 27.2 | Very low | 159 Ų | 159 | 152 Ų | 152 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 135 | 168.7 | -82.1 | 155.4 | 0 | 0 | 0 | 108.5 | I232 | L230-I232 PolarHBondContact O-N 2.98Š|
| 231 | P | 25.1 | Very low | 26.9 | Very low | 83 Ų | 83 | 157.2 Ų | 157.2 | 54% | 0.539 | 79% | 0.788 | S | S | . | * | P | Polyproline II helix | trans | -60 | 133.6 | 175.9 | -18.4 | 29.3 | 0 | 0 | 0 | 111.3 | Y233 | P231-Y233 HydrophobicContact CB-CE2 4.09Å; P231-Y233 HydrophobicContact CG-CE2 4.49Å; P231-Y233 WeakPolarHBondContact O-CD2 3.42Å; P231-Y233 PolarHBondContact O-N 3.4Å |
| 232 | I | 25.8 | Very low | 26.9 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -81.5 | 105.3 | 167.8 | -59 | 172.6 | 0 | 0 | 0 | 106.4 | L230 | L230-I232 PolarHBondContact O-N 2.98Š|
| 233 | Y | 24.5 | Very low | 26.7 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -79.1 | 121.9 | 173.9 | -62.9 | -83.6 | 0 | 0 | 0 | 109.5 | P231 | P231-Y233 HydrophobicContact CB-CE2 4.09Å; P231-Y233 HydrophobicContact CG-CE2 4.49Å; P231-Y233 WeakPolarHBondContact O-CD2 3.42Å; P231-Y233 PolarHBondContact O-N 3.4Å |
| 234 | K | 24.8 | Very low | 26.7 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 74% | 0.735 | 77% | 0.772 | S | S | * | * | | | trans | -85.2 | 108 | 162.7 | -170.1 | 177.4 | -177.2 | -177 | 0 | 106.5 | V236 | K234-V236 PolarHBondContact O-N 3.15Š|
| 235 | K | 28.5 | Very low | 26.7 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -81.3 | 108.4 | 175.4 | -157.8 | -176.2 | -172.7 | -158.9 | 0 | 107.6 | H237 | K235-H237 PolarHBondContact NZ-NE2 3.33Š|
| 236 | V | 26.2 | Very low | 26.5 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | | | trans | -87 | 112.2 | 167.8 | -178.9 | 0 | 0 | 0 | 0 | 105.6 | K234 G238 | K234-V236 PolarHBondContact O-N 3.15Å; V236-G238 PolarHBondContact O-N 3.05Å |
| 237 | H | 30.4 | Very low | 26.4 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | | | trans | -83.8 | 105.6 | 168.9 | -103.7 | -72 | 0 | 0 | 0 | 107.2 | K235 | K235-H237 PolarHBondContact NZ-NE2 3.33Š|
| 238 | G | 29 | Very low | 26.4 | Very low | 58 Ų | 58 | 150.3 Ų | 150.3 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | | | trans | -81.6 | 142.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109 | V236 E240 | V236-G238 PolarHBondContact O-N 3.05Å; G238-E240 PolarHBondContact O-N 3.02Å |
| 239 | E | 25.7 | Very low | 26.2 | Very low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -62.5 | 117 | 178.3 | -63.2 | 179.6 | 160.7 | 0 | 0 | 110.9 | | |
| 240 | E | 29.4 | Very low | 26.3 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -111.1 | 106.6 | 158.2 | -77 | -177.8 | 170.6 | 0 | 0 | 107.6 | G238 | G238-E240 PolarHBondContact O-N 3.02Š|
| 241 | K | 24.1 | Very low | 26.2 | Very low | 181 Ų | 181 | 139 Ų | 139 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | | | trans | -79 | 117.9 | 166.7 | -71.6 | 173.4 | 179.7 | 168.5 | 0 | 107.5 | | |
| 242 | E | 27.7 | Very low | 26.3 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | -145.9 | 134.8 | 149.8 | -132.2 | 176.3 | -171.9 | 0 | 0 | 110.1 | | |
| 243 | V | 23.9 | Very low | 26.6 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -114.9 | 160.3 | -165.5 | -166.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 244 | V | 26.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | 78.7 | 141.3 | 157 | -118.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 245 | V | 28.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | cis | -151.2 | 153 | 17.2 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 246 | K | 23.6 | Very low | 27.4 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | | | trans | -56.8 | 157 | 175 | -71.3 | 174.1 | 171.4 | 175.3 | 0 | 117.4 | | |
| 247 | G | 24.3 | Very low | 27.9 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -160.2 | 109.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 248 | G | 23.4 | Very low | 27.9 | Very low | 74 Ų | 74 | 141.9 Ų | 141.9 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -76.2 | -172.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 249 | C | 25.9 | Very low | 28 | Very low | 139 Ų | 139 | 146 Ų | 146 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | | | cis | -152.3 | 175.5 | 22.1 | -65.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 250 | G | 26.2 | Very low | 28.3 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | cis | 166.4 | 158.2 | 20 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 251 | A | 26.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 158.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 252 | H | 28.1 | Very low | 28.7 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | -162 | 131.7 | 135.8 | -119.5 | -73.1 | 0 | 0 | 0 | 113.3 | | |
| 253 | D | 31.1 | Very low | 28.8 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -65.2 | 152.7 | 169.3 | -63.3 | -65.7 | 0 | 0 | 0 | 113.6 | | |
| 254 | H | 31.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | | 172 | 123.1 | 118.4 | -94.9 | -65.1 | 0 | 0 | 0 | 115.2 | | |
| 255 | K | 28.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | | | trans | 50.9 | 124.2 | 132.5 | -70.4 | 178.8 | 177.6 | 178.3 | 0 | 122.4 | | |
| 256 | E | 35 | Very low | 29.3 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -52.3 | 161.6 | 157 | -73.6 | 178.6 | 144.3 | 0 | 0 | 113.7 | | |
| 257 | P | 36 | Very low | 29.9 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | | -140.5 | 152.8 | 112.4 | 35.4 | -21 | 0 | 0 | 0 | 115.9 | | |
| 258 | E | 31.1 | Very low | 29.9 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -52.6 | 150.7 | 159.9 | -57.9 | 173.2 | 138.9 | 0 | 0 | 112.6 | | |
| 259 | H | 30.7 | Very low | 30.1 | Very low | 145 Ų | 145 | 152 Ų | 152 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | | 165.9 | 140.6 | 119.7 | -105.4 | -88.6 | 0 | 0 | 0 | 115.5 | | |
| 260 | H | 32 | Very low | 30.2 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 68% | 0.676 | 76% | 0.758 | S | S | * | * | | | trans | 91 | 95.4 | 143.4 | -72 | -51.5 | 0 | 0 | 0 | 122.9 | | |
| 261 | E | 29 | Very low | 30.3 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | | -4.4 | 143 | 127.5 | -57.1 | 179.1 | 132.8 | 0 | 0 | 119 | | |
| 262 | K | 32.6 | Very low | 30.2 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | | 172 | 140.9 | 105.9 | -98.1 | 171.9 | 179.9 | 174.6 | 0 | 114.9 | | |
| 263 | Q | 30 | Very low | 30.2 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 76.8 | 142.6 | 140.3 | -69.4 | 167.6 | -1.8 | 0 | 0 | 117.9 | | |
| 264 | E | 32.1 | Very low | 30 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | | | cis | -167.4 | 128.7 | 15.1 | -116.4 | 163.2 | 177.5 | 0 | 0 | 107.5 | | |
| 265 | R | 25.6 | Very low | 30 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | | | | 58.2 | 110.9 | 86.5 | -102.8 | 178.4 | 179.4 | -155.3 | 4.4 | 115.9 | | |
| 266 | H | 31.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 63% | 0.625 | 76% | 0.763 | S | S | * | * | | | | 143 | 144.6 | 100.4 | -99.4 | -48.1 | 0 | 0 | 0 | 118.5 | | |
| 267 | K | 35.4 | Very low | 30.1 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 78.7 | 147.1 | 148.6 | -71 | 163.5 | -175.9 | -177.7 | 0 | 119.3 | | |
| 268 | R | 26.2 | Very low | 29.9 | Very low | 241 Ų | 241 | 146 Ų | 146 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | cis | 173 | 132.6 | -24.4 | -123.2 | -174.6 | -172.5 | -172.3 | 1.6 | 105.5 | | |
| 269 | G | 27.2 | Very low | 29.8 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | trans | 70.4 | 161.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 270 | A | 26.7 | Very low | 29.6 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | cis | -176.2 | 151.3 | -16 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 271 | V | 28 | Very low | 29.6 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 95% | 0.952 | 77% | 0.772 | S | S | * | * | | | trans | 70 | 129.4 | 162.4 | -155.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 272 | G | 25.5 | Very low | 29.5 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | cis | 170.1 | 156 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 273 | G | 27.2 | Very low | 29.2 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | | | trans | 72.5 | 142.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 274 | H | 28.4 | Very low | 28.9 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | cis | -164.9 | 137.2 | -2.2 | -173.6 | -76.8 | 0 | 0 | 0 | 106.2 | | |
| 275 | V | 31 | Very low | 28.6 | Very low | 79 Ų | 79 | 143.5 Ų | 143.5 | 48% | 0.479 | 80% | 0.798 | S | S | . | * | | | trans | 15.1 | 123.9 | 156.1 | -168.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 276 | D | 36.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | | -152.4 | 114.2 | 118.6 | -89.7 | -30.9 | 0 | 0 | 0 | 109.6 | N278 | D276-N278 PolarHBondContact O-N 3.45Š|
| 277 | H | 30.1 | Very low | 28.3 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | trans | -72.6 | 110.2 | -168.5 | -87.2 | -65.3 | 0 | 0 | 0 | 112 | | |
| 278 | N | 30.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -147 | 135.1 | 150.1 | -92.3 | -34.5 | 0 | 0 | 0 | 110.8 | D276 | D276-N278 PolarHBondContact O-N 3.45Š|
| 279 | D | 29.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | | | trans | 72.2 | 125.6 | 155.7 | -61.3 | -36.4 | 0 | 0 | 0 | 121.5 | | |
| 280 | C | 27 | Very low | 27.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | | | trans | 90.6 | 113.6 | 144.7 | -75.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 281 | K | 30.8 | Very low | 27.6 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | 77.7 | 92.3 | 135.5 | -65.4 | 175 | -179.7 | 173.8 | 0 | 117.7 | | |
| 282 | V | 28.8 | Very low | 27.6 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | | | trans | -137 | 139 | 148.2 | -175.8 | 0 | 0 | 0 | 0 | 111 | | |
| 283 | K | 25.6 | Very low | 27.6 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | trans | -67.8 | 144.9 | 178.8 | -62.9 | 166.1 | 173.7 | 174.8 | 0 | 111.5 | | |
| 284 | G | 23.8 | Very low | 27.7 | Very low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | 149.6 | 112.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 285 | V | 25 | Very low | 27.7 | Very low | 153 Ų | 153 | 149 Ų | 149 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | | | trans | 64.8 | 118.2 | 141.8 | -153.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 286 | G | 22.4 | Very low | 27.5 | Very low | 68 Ų | 68 | 156 Ų | 156 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | | | trans | -74.3 | -157.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 287 | P | 29.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 153.1 Ų | 153.1 | 90% | 0.903 | 84% | 0.836 | S | S | * | * | | | cis | -126.7 | 173.7 | -1.5 | 39.6 | -23.3 | 0 | 0 | 0 | 113.6 | | |
| 288 | G | 23.7 | Very low | 27 | Very low | 72 Ų | 72 | 147.6 Ų | 147.6 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | 144.9 | 109.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 289 | Y | 22.5 | Very low | 26.9 | Very low | 239 Ų | 239 | 150.7 Ų | 150.7 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | | | trans | -20 | 127 | 166 | -71.6 | -99.8 | 0 | 0 | 0 | 118 | | |
| 290 | E | 26.8 | Very low | 26.8 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | -150.8 | 137.9 | 146.5 | -131.6 | 170.6 | -166.8 | 0 | 0 | 113.4 | | |
| 291 | K | 26.7 | Very low | 26.8 | Very low | 204 Ų | 204 | 158 Ų | 158 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | | | trans | -74.3 | 140.2 | -176.4 | -69.3 | 166.1 | 175.6 | 171.9 | 0 | 110.7 | | |
| 292 | S | 28.3 | Very low | 26.7 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 78% | 0.783 | 84% | 0.841 | S | S | * | * | | | trans | -143.2 | 133.8 | 154 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | H | 26.8 | Very low | 26.5 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | | | trans | -71.5 | 138.2 | 175.1 | -78.5 | -104.6 | 0 | 0 | 0 | 110.7 | | |
| 294 | L | 28.5 | Very low | 26.5 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | | | trans | -149.2 | 124.2 | 164.3 | -107.4 | 158.9 | 0 | 0 | 0 | 110.6 | | |
| 295 | D | 27.8 | Very low | 26.6 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 84% | 0.836 | S | S | * | * | | | trans | -68.6 | 143.7 | -175.7 | -66.1 | -54 | 0 | 0 | 0 | 113.9 | | |
| 296 | Y | 28.1 | Very low | 26.8 | Very low | 227 Ų | 227 | 153.2 Ų | 153.2 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | | | trans | -148.7 | 102.5 | 155.7 | -111.1 | -85.4 | 0 | 0 | 0 | 111.1 | G298 | Y296-G298 PolarHBondContact O-N 3.4Š|
| 297 | A | 26.8 | Very low | 26.9 | Very low | 107 Ų | 107 | 158.7 Ų | 158.7 | 88% | 0.884 | 84% | 0.84 | S | S | * | * | | | trans | -60.7 | 110.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 298 | G | 28.8 | Very low | 27 | Very low | 59 Ų | 59 | 159.6 Ų | 159.6 | 61% | 0.608 | 84% | 0.836 | S | S | * | * | | | trans | -159.7 | 84.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y296 F300 | Y296-G298 PolarHBondContact O-N 3.4Å; G298-F300 PolarHBondContact O-N 3.03Å |
| 299 | K | 28.2 | Very low | 27.1 | Very low | 213 Ų | 213 | 160.3 Ų | 160.3 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | | | trans | -50.4 | 117.8 | 169.7 | -67.3 | 171.9 | 179.7 | 170.6 | 0 | 109.8 | | |
| 300 | F | 26.5 | Very low | 27.3 | Very low | 198 Ų | 198 | 157 Ų | 157 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | | | trans | -121.4 | 99 | 165.8 | -119.2 | -92.5 | 0 | 0 | 0 | 110.5 | G298 | G298-F300 PolarHBondContact O-N 3.03Š|
| 301 | K | 27.7 | Very low | 27.2 | Very low | 210 Ų | 210 | 157.1 Ų | 157.1 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | | | trans | -97.6 | 118.7 | 163.8 | -84.6 | -176.8 | 174.4 | 178.3 | 0 | 108.3 | | |
| 302 | G | 27.6 | Very low | 27.1 | Very low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | | | trans | 81.9 | 86.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | A304 | G302-A304 PolarHBondContact O-N 3.46Š|
| 303 | G | 25.5 | Very low | 27.2 | Very low | 72 Ų | 72 | 159.9 Ų | 159.9 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | | | trans | -65.9 | 119 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | R305 | G303-R305 PolarHBondContact O-N 3.25Š|
| 304 | A | 25.4 | Very low | 27.3 | Very low | 98 Ų | 98 | 158.9 Ų | 158.9 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -65.4 | 115 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G302 K306 | G302-A304 PolarHBondContact O-N 3.46Å; A304-K306 PolarHBondContact O-N 3.09Å |
| 305 | R | 25.6 | Very low | 27.2 | Very low | 219 Ų | 219 | 156.3 Ų | 156.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -81.2 | 109.5 | 168.9 | -81.5 | -179 | 161.2 | 179.2 | -3.8 | 109.7 | G303 F307 | G303-R305 PolarHBondContact O-N 3.25Å; R305-F307 HydrophobicContact CB-CE2 4.42Å |
| 306 | K | 28.8 | Very low | 27.3 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.7 | 162.1 | -69.2 | -179.1 | 179 | 179.2 | 0 | 108.1 | A304 | A304-K306 PolarHBondContact O-N 3.09Š|
| 307 | F | 26 | Very low | 27.5 | Very low | 183 Ų | 183 | 152.3 Ų | 152.3 | 80% | 0.803 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 123.9 | 166.4 | -76.7 | -90.7 | 0 | 0 | 0 | 108.2 | R305 | R305-F307 HydrophobicContact CB-CE2 4.42Š|
| 308 | L | 29.8 | Very low | 27.5 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70 | 140.2 | 167.5 | -78.3 | 155.5 | 0 | 0 | 0 | 108.8 | I310 | L308-I310 PolarHBondContact O-N 3.25Š|
| 309 | P | 25.8 | Very low | 27.5 | Very low | 87 Ų | 87 | 159.9 Ų | 159.9 | 57% | 0.565 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.6 | 177 | -17 | 28.4 | 0 | 0 | 0 | 111 | Y311 | P309-Y311 HydrophobicContact CB-CD2 4.29Å; P309-Y311 HydrophobicContact CB-CE2 3.91Å; P309-Y311 HydrophobicContact CG-CE2 4.36Å; P309-Y311 PolarHBondContact O-N 3.34Å |
| 310 | I | 26.7 | Very low | 27.4 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -82.5 | 105.1 | 166.4 | -58.2 | 173.6 | 0 | 0 | 0 | 106 | L308 Q312 | L308-I310 PolarHBondContact O-N 3.25Å; I310-Q312 PolarHBondContact O-N 2.94Å |
| 311 | Y | 24.9 | Very low | 27.3 | Very low | 200 Ų | 200 | 154.9 Ų | 154.9 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -77.5 | 117.2 | 172.7 | -71.9 | -88.3 | 0 | 0 | 0 | 109.2 | P309 | P309-Y311 HydrophobicContact CB-CD2 4.29Å; P309-Y311 HydrophobicContact CB-CE2 3.91Å; P309-Y311 HydrophobicContact CG-CE2 4.36Å; P309-Y311 PolarHBondContact O-N 3.34Å |
| 312 | Q | 24.9 | Very low | 27.2 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -81.9 | 111.9 | 156.9 | -98.8 | 177.7 | -22.3 | 0 | 0 | 107.1 | I310 | I310-Q312 PolarHBondContact O-N 2.94Š|
| 313 | K | 30.5 | Very low | 27.2 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | -93.6 | 102.4 | 170.3 | -161.7 | 179.6 | -176.7 | -174.1 | 0 | 106.7 | V315 | K313-V315 HydrophobicContact CB-CG2 4.49Å; K313-V315 HydrophobicContact CD-CG2 4.13Å; K313-V315 HydrophobicContact CG-CG2 4.02Å; K313-V315 PolarHBondContact O-N 3.27Å |
| 314 | E | 28.9 | Very low | 27.1 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 112.7 | 158.8 | -78.8 | 172.2 | 169.4 | 0 | 0 | 105.6 | | |
| 315 | V | 27.4 | Very low | 27 | Very low | 115 Ų | 115 | 156.7 Ų | 156.7 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | | | trans | -95.6 | 100.8 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 105.3 | K313 | K313-V315 HydrophobicContact CB-CG2 4.49Å; K313-V315 HydrophobicContact CD-CG2 4.13Å; K313-V315 HydrophobicContact CG-CG2 4.02Å; K313-V315 PolarHBondContact O-N 3.27Å |
| 316 | S | 30.5 | Very low | 26.8 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -64.9 | 138.1 | 161.4 | 51.6 | 0 | 0 | 0 | 0 | 108.1 | E318 | S316-E318 PolarHBondContact O-N 3.24Š|
| 317 | E | 30.7 | Very low | 26.6 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -41.8 | 132.6 | 175.3 | -63.8 | 171.3 | 155.5 | 0 | 0 | 111.2 | | |
| 318 | E | 28.2 | Very low | 26.6 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | -179 | 127.7 | 140.8 | -101.8 | -178.6 | -150.8 | 0 | 0 | 111.9 | S316 | S316-E318 PolarHBondContact O-N 3.24Š|
| 319 | K | 28.1 | Very low | 26.3 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 73% | 0.726 | 78% | 0.778 | S | S | * | * | | | trans | 81.9 | 90.5 | 153.3 | -65.3 | 167.1 | -179.9 | 133.1 | 0 | 118.4 | V321 | K319-V321 PolarHBondContact O-N 3.09Š|
| 320 | E | 25.6 | Very low | 26.4 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -42.4 | 121.4 | 140.9 | -116.8 | -176.4 | 163.4 | 0 | 0 | 110.4 | V322 | E320-V322 HydrophobicContact CG-CG2 4.33Š|
| 321 | V | 24.4 | Very low | 26.4 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -107.2 | 89.1 | 160.9 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | K319 V323 | K319-V321 PolarHBondContact O-N 3.09Å; V321-V323 HydrophobicContact CG1-CG2 4.03Å; V321-V323 PolarHBondContact O-N 3.47Å |
| 322 | V | 25.9 | Very low | 26.9 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 57% | 0.57 | 80% | 0.798 | S | S | * | * | | | trans | -76.3 | 106.2 | 162.9 | 175.7 | 0 | 0 | 0 | 0 | 106.9 | E320 K324 | E320-V322 HydrophobicContact CG-CG2 4.33Å; V322-K324 VanDerWaalsContact C-N 3.33Å; V322-K324 HydrophobicContact CG1-CG 4.01Å; V322-K324 PolarHBondContact O-N 3.37Å; V322-K324 VanDerWaalsContact O-N 3.13Å |
| 323 | V | 27.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -80.5 | 88.8 | 164.8 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | V321 G325 | V321-V323 HydrophobicContact CG1-CG2 4.03Å; V321-V323 PolarHBondContact O-N 3.47Å; V323-G325 PolarHBondContact O-N 3.26Å |
| 324 | K | 23.9 | Very low | 27.3 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -77.1 | 107.1 | 160.4 | -96.8 | -179.1 | 177.2 | 176.5 | 0 | 108.2 | V322 | V322-K324 VanDerWaalsContact C-N 3.33Å; V322-K324 HydrophobicContact CG1-CG 4.01Å; V322-K324 PolarHBondContact O-N 3.37Å; V322-K324 VanDerWaalsContact O-N 3.13Å |
| 325 | G | 23 | Very low | 27.8 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -83.7 | 105.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | V323 | V323-G325 PolarHBondContact O-N 3.26Š|
| 326 | G | 22.6 | Very low | 28 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | -76.9 | -177 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 327 | C | 23.1 | Very low | 28.1 | Very low | 143 Ų | 143 | 146 Ų | 146 | 97% | 0.966 | 79% | 0.789 | S | S | * | * | | | cis | -169 | 149.9 | 4.4 | -141.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 328 | G | 26.2 | Very low | 28.1 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 148.7 | 77.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 329 | A | 24.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | | | trans | -68.4 | 141.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 330 | R | 26.4 | Very low | 28.5 | Very low | 253 Ų | 253 | 142.7 Ų | 142.7 | 96% | 0.955 | 77% | 0.773 | S | S | * | * | | | trans | -169.7 | 125.3 | 130.6 | -106.8 | 174.6 | -175.6 | -173 | 1.1 | 110.7 | | |
| 331 | D | 28.5 | Very low | 28.5 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -52.2 | 145 | 169.5 | -59.5 | -67.9 | 0 | 0 | 0 | 112.4 | | |
| 332 | H | 35.5 | Very low | 29 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | | | trans | -164.2 | 137.8 | 131.9 | -99.4 | -69.4 | 0 | 0 | 0 | 111.5 | | |
| 333 | K | 29.6 | Very low | 29.1 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -55 | 144.6 | -176 | -79.8 | 167.6 | 166 | 176.2 | 0 | 116.4 | | |
| 334 | E | 33.4 | Very low | 29.4 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | | 30.4 | 165.4 | 124.3 | -100.9 | -179.2 | 177.6 | 0 | 0 | 121.2 | | |
| 335 | P | 39.9 | Very low | 29.8 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | | | cis | -141.6 | -174 | -2.1 | 32.4 | -7.7 | 0 | 0 | 0 | 116 | | |
| 336 | E | 30 | Very low | 30 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 58.5 | 120.8 | 143.8 | -77.3 | 166.8 | -167.9 | 0 | 0 | 122.5 | | |
| 337 | H | 33.6 | Very low | 30.3 | Very low | 158 Ų | 158 | 151 Ų | 151 | 73% | 0.731 | 77% | 0.768 | S | S | * | * | | | | 175 | 119.8 | 108.8 | -111 | -92.3 | 0 | 0 | 0 | 114.3 | | |
| 338 | H | 31.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 63% | 0.625 | 76% | 0.762 | S | S | * | * | | | | 49.8 | 116.7 | 128 | -80.2 | -92.6 | 0 | 0 | 0 | 124.2 | | |
| 339 | E | 30.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 153 Ų | 153 | 58% | 0.584 | 76% | 0.76 | S | S | * | * | | | | 72.1 | 131.7 | 115.3 | -79.4 | -171.7 | 137.1 | 0 | 0 | 124.6 | | |
| 340 | K | 32.4 | Very low | 30.7 | Very low | 181 Ų | 181 | 154 Ų | 154 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | | | trans | 66.2 | 137.1 | 137.4 | -67.9 | 166.9 | 174 | 155.3 | 0 | 117.6 | | |
| 341 | G | 27.5 | Very low | 30.7 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | cis | 175.3 | -171.7 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 342 | E | 33.5 | Very low | 30.7 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | | | trans | 75.8 | 113.1 | 157.1 | -52.3 | -167.9 | 144.6 | 0 | 0 | 118.5 | | |
| 343 | R | 27.5 | Very low | 30.4 | Very low | 219 Ų | 219 | 143.9 Ų | 143.9 | 83% | 0.826 | 73% | 0.729 | S | S | * | * | | | | 85.5 | 136.6 | 55.2 | -90.3 | -169.2 | 174.1 | 179.6 | 2.8 | 115.3 | | |
| 344 | H | 33.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | 98.8 | 143.3 | 154 | -64.7 | -45.1 | 0 | 0 | 0 | 118.7 | | |
| 345 | K | 33.4 | Very low | 30.3 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 61% | 0.609 | 74% | 0.736 | S | S | * | * | | | cis | 175.8 | 138.7 | -27.1 | -115.2 | -175.7 | -169.1 | 174.1 | 0 | 106.1 | | |
| 346 | R | 27 | Very low | 29.7 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | trans | 75.7 | 138.5 | 140.4 | -66.6 | -179.8 | -172 | 176.7 | 2.5 | 124 | | |
| 347 | G | 28.8 | Very low | 29.5 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | | | trans | 122 | 97.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 348 | V | 24.7 | Very low | 29.2 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | | 48 | 110.2 | 60.7 | -153.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 349 | V | 28 | Very low | 28.9 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | -176 | 125.4 | 88.8 | 155.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 350 | V | 29 | Very low | 28.7 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | 69.1 | 121.3 | 135.1 | -172.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 351 | S | 27.1 | Very low | 28.3 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | 93.6 | 130.1 | 137.8 | 64.4 | 0 | 0 | 0 | 0 | 122 | | |
| 352 | H | 27.6 | Very low | 28.2 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | | | trans | 84.2 | 103.5 | 150.1 | -77.6 | -57 | 0 | 0 | 0 | 119.6 | | |
| 353 | D | 29.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 148 Ų | 148 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | 84.4 | 134.9 | 134.9 | -51 | -25.8 | 0 | 0 | 0 | 117.7 | | |
| 354 | D | 31.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | 77.9 | 82.9 | 168.8 | -51.9 | -28.7 | 0 | 0 | 0 | 117.6 | N356 | D354-N356 PolarHBondContact O-N 3.41Š|
| 355 | H | 29.5 | Very low | 27.2 | Very low | 203 Ų | 203 | 141 Ų | 141 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | -65.2 | 95.7 | 167.2 | -87.9 | -66.8 | 0 | 0 | 0 | 112.1 | | |
| 356 | N | 28 | Very low | 26.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -102.3 | 140.5 | 143.1 | -91.3 | -36.3 | 0 | 0 | 0 | 109.7 | D354 | D354-N356 PolarHBondContact O-N 3.41Š|
| 357 | D | 26.6 | Very low | 26.5 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | 65.2 | 110.6 | 160.8 | -57.2 | -29.3 | 0 | 0 | 0 | 120.7 | | |
| 358 | C | 25.5 | Very low | 26.4 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -160.8 | 110.3 | 135.4 | -107.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 359 | K | 26.2 | Very low | 26.6 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | | | | 27.5 | 123.8 | 128.3 | -65.7 | 173 | 179.8 | 169.7 | 0 | 118.8 | | |
| 360 | C | 27 | Very low | 26.4 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 92% | 0.919 | 82% | 0.816 | S | S | * | * | | | trans | -158.4 | 131.4 | 131.3 | -101.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 361 | K | 23 | Very low | 26.5 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -70.1 | 135.8 | 172.6 | -71.9 | 171.6 | 172.3 | 177 | 0 | 109.8 | | |
| 362 | G | 25.2 | Very low | 26.5 | Very low | 79 Ų | 79 | 151.8 Ų | 151.8 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | | | trans | -168 | 121 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 363 | V | 23.8 | Very low | 26.5 | Very low | 162 Ų | 162 | 152 Ų | 152 | 98% | 0.982 | 84% | 0.835 | S | S | * | * | | | trans | -93.3 | 133.9 | -174.6 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 364 | G | 23.2 | Very low | 26.3 | Very low | 66 Ų | 66 | 157.3 Ų | 157.3 | 68% | 0.68 | 85% | 0.847 | S | S | * | * | | | trans | 162.4 | 130.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 365 | P | 26.3 | Very low | 26.1 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | | | trans | -89.6 | 130.7 | -166.1 | 34.6 | -31.2 | 0 | 0 | 0 | 112.3 | | |
| 366 | G | 23.3 | Very low | 25.9 | Very low | 62 Ų | 62 | 147.9 Ų | 147.9 | 64% | 0.639 | 83% | 0.833 | S | S | * | * | | | trans | -167.2 | 115.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 367 | Y | 23.4 | Very low | 25.8 | Very low | 243 Ų | 243 | 150.2 Ų | 150.2 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | | | trans | 23.2 | 113.8 | 149.6 | -65.8 | -92.8 | 0 | 0 | 0 | 118.4 | | |
| 368 | E | 26.9 | Very low | 25.7 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 92% | 0.916 | 84% | 0.842 | S | S | * | * | | | trans | -109.2 | 128.4 | 168.9 | -147.3 | 166.6 | -151.5 | 0 | 0 | 113.1 | | |
| 369 | K | 28.8 | Very low | 25.8 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 81% | 0.809 | 85% | 0.847 | S | S | * | * | | | trans | -77.7 | 155.7 | 179.7 | -75.5 | 168.4 | 174.3 | 172.3 | 0 | 110.9 | | |
| 370 | S | 24.5 | Very low | 25.7 | Very low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 85% | 0.846 | S | S | * | * | | | trans | -43 | 139.9 | 167.2 | 50.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 371 | H | 31 | Very low | 25.5 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 83% | 0.833 | 83% | 0.829 | S | S | * | * | | | trans | -105.5 | 128.1 | 152 | -82.2 | -89.3 | 0 | 0 | 0 | 110.6 | | |
| 372 | L | 25.8 | Very low | 25.6 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | -86.2 | 128.5 | 170.9 | -110.1 | 148.9 | 0 | 0 | 0 | 107.7 | | |
| 373 | D | 29.2 | Very low | 25.6 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | | | trans | -107.3 | 140 | 166.5 | -82.8 | -22.8 | 0 | 0 | 0 | 112.4 | A375 | D373-A375 PolarHBondContact O-N 3.2Š|
| 374 | Y | 23.3 | Very low | 25.8 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 95% | 0.945 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -85.2 | 85.1 | -164.5 | -131.6 | -98.4 | 0 | 0 | 0 | 110.8 | | |
| 375 | A | 27.7 | Very low | 25.9 | Very low | 91 Ų | 91 | 156.8 Ų | 156.8 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | | | trans | -165.2 | 104.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | D373 H377 | D373-A375 PolarHBondContact O-N 3.2Å; A375-H377 PolarHBondContact O-N 3.32Å; A375-H377 VanDerWaalsContact O-N 3.16Å |
| 376 | G | 26.3 | Very low | 25.9 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | trans | -58.7 | 119.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 377 | H | 24.8 | Very low | 26 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | | | trans | 170.1 | 106.9 | 140.8 | -84 | 4.2 | 0 | 0 | 0 | 109.8 | A375 | A375-H377 PolarHBondContact O-N 3.32Å; A375-H377 VanDerWaalsContact O-N 3.16Å |
| 378 | F | 25.6 | Very low | 26.1 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -118.2 | 94.5 | 167.8 | -115 | -88.6 | 0 | 0 | 0 | 110.8 | | |
| 379 | K | 25.7 | Very low | 26 | Very low | 209 Ų | 209 | 153.4 Ų | 153.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -85.9 | 115.7 | 156.9 | -85.1 | -179.6 | 178.6 | 173.2 | 0 | 108 | | |
| 380 | G | 24.9 | Very low | 25.8 | Very low | 82 Ų | 82 | 153.5 Ų | 153.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | 59 | 76 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 381 | G | 23.9 | Very low | 26 | Very low | 54 Ų | 54 | 157.1 Ų | 157.1 | 56% | 0.557 | 81% | 0.808 | S | S | * | * | | | trans | -93.9 | 116.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R383 | G381-R383 PolarHBondContact O-N 2.78Š|
| 382 | A | 24 | Very low | 26 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -62.3 | 115.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K384 | A382-K384 PolarHBondContact O-N 3.4Š|
| 383 | R | 26.1 | Very low | 26.2 | Very low | 226 Ų | 226 | 153.1 Ų | 153.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | trans | -74.5 | 110.7 | 169.2 | -81 | -177.6 | 158.3 | -170.4 | -6.2 | 109.9 | G381 | G381-R383 PolarHBondContact O-N 2.78Š|
| 384 | K | 27 | Very low | 26.2 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 125.3 | 161.8 | -69.5 | -179.5 | 179.2 | 177.2 | 0 | 108.1 | A382 | A382-K384 PolarHBondContact O-N 3.4Š|
| 385 | F | 24.7 | Very low | 26.8 | Very low | 189 Ų | 189 | 147 Ų | 147 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 121.8 | 171.7 | -76.8 | -92 | 0 | 0 | 0 | 108.8 | | |
| 386 | V | 27.3 | Very low | 26.9 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.2 | 164.6 | -179.1 | 0 | 0 | 0 | 0 | 107 | I388 | V386-I388 PolarHBondContact O-N 3.33Š|
| 387 | P | 25.2 | Very low | 27.1 | Very low | 82 Ų | 82 | 156.5 Ų | 156.5 | 53% | 0.532 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 119.8 | 176 | 23.5 | -29.7 | 0 | 0 | 0 | 110 | Y389 | P387-Y389 HydrophobicContact CB-CE2 4.08Å; P387-Y389 HydrophobicContact CG-CE2 3.91Å; P387-Y389 PolarHBondContact O-N 3.41Å |
| 388 | I | 25.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 155.9 Ų | 155.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -83.1 | 107.2 | 169.8 | -59 | 173.8 | 0 | 0 | 0 | 106.7 | V386 K390 | V386-I388 PolarHBondContact O-N 3.33Å; I388-K390 PolarHBondContact O-N 3.47Å |
| 389 | Y | 23.9 | Very low | 27.2 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -80.2 | 113.1 | 170.8 | -63.8 | -83.8 | 0 | 0 | 0 | 108.7 | P387 | P387-Y389 HydrophobicContact CB-CE2 4.08Å; P387-Y389 HydrophobicContact CG-CE2 3.91Å; P387-Y389 PolarHBondContact O-N 3.41Å |
| 390 | K | 26.3 | Very low | 27.3 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | | | trans | -90.1 | 103.5 | 167 | -158.5 | 176.8 | -175.6 | -174.6 | 0 | 107.1 | I388 V392 | I388-K390 PolarHBondContact O-N 3.47Å; K390-V392 PolarHBondContact O-N 3.19Å |
| 391 | K | 28.3 | Very low | 27.4 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | -64.2 | 118.6 | 164.8 | -87.1 | -175.4 | 174 | -175.2 | 0 | 107.4 | | |
| 392 | V | 30.4 | Very low | 27.5 | Very low | 106 Ų | 106 | 155.8 Ų | 155.8 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | | | trans | -97.3 | 111.5 | 164.7 | -179.4 | 0 | 0 | 0 | 0 | 104.5 | K390 | K390-V392 PolarHBondContact O-N 3.19Š|
| 393 | H | 31.1 | Very low | 27.4 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | trans | -86.2 | 110.4 | 169.5 | -102.2 | -82.9 | 0 | 0 | 0 | 106.7 | | |
| 394 | D | 28.1 | Very low | 27.2 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | -100.8 | 91.1 | 164.6 | -67.1 | -35.5 | 0 | 0 | 0 | 106.5 | | |
| 395 | E | 36.9 | Very low | 27.1 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | | | trans | -142.9 | 102.5 | 162.8 | -80.7 | -171 | -165.8 | 0 | 0 | 108.5 | K397 | E395-K397 PolarHBondContact O-N 3.12Å; E395-K397 VanDerWaalsContact O-N 3.09Å; E395-K397 WeakPolarHBondContact OE2-CE 3.28Å; E395-K397 IonicContact OE2-NZ 2.78Å; E395-K397 PolarHBondContact OE2-NZ 2.98Å |
| 396 | E | 28.4 | Very low | 27.1 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 96% | 0.958 | 76% | 0.761 | S | S | * | * | | | trans | -65.3 | 98.8 | 158.9 | -67.9 | -177.5 | 157.6 | 0 | 0 | 107.8 | | |
| 397 | K | 31.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 137.3 Ų | 137.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -98.7 | 108.4 | 158.8 | -82.1 | 176.8 | 177.3 | 139.2 | 0 | 108 | E395 V399 | E395-K397 PolarHBondContact O-N 3.12Å; E395-K397 VanDerWaalsContact O-N 3.09Å; E395-K397 WeakPolarHBondContact OE2-CE 3.28Å; E395-K397 IonicContact OE2-NZ 2.78Å; E395-K397 PolarHBondContact OE2-NZ 2.98Å; K397-V399 PolarHBondContact O-N 3.26Å |
| 398 | E | 26.3 | Very low | 27.2 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -55.4 | 103.2 | 166 | -163.8 | -177.2 | -170.1 | 0 | 0 | 108.8 | V400 | E398-V400 HydrophobicContact CG-CG2 4.02Å; E398-V400 PolarHBondContact O-N 3.45Å |
| 399 | V | 25.6 | Very low | 27.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | trans | -89.5 | 93.2 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | K397 V401 | K397-V399 PolarHBondContact O-N 3.26Å; V399-V401 HydrophobicContact CG1-CG2 3.71Å; V399-V401 PolarHBondContact O-N 3.33Å |
| 400 | V | 28.2 | Very low | 28.1 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | | | trans | -72.2 | 94.5 | 166.7 | -179.3 | 0 | 0 | 0 | 0 | 108 | E398 K402 | E398-V400 HydrophobicContact CG-CG2 4.02Å; E398-V400 PolarHBondContact O-N 3.45Å; V400-K402 HydrophobicContact CG1-CB 4.5Å; V400-K402 HydrophobicContact CG1-CG 4.31Å; V400-K402 PolarHBondContact O-N 3.36Å |
| 401 | V | 26.9 | Very low | 28.6 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -84.1 | 92.1 | 163.9 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | V399 | V399-V401 HydrophobicContact CG1-CG2 3.71Å; V399-V401 PolarHBondContact O-N 3.33Å |
| 402 | K | 27 | Very low | 28.7 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -103.2 | 103.3 | 158.9 | -91.3 | -174.1 | 175.8 | 177 | 0 | 108.6 | V400 | V400-K402 HydrophobicContact CG1-CB 4.5Å; V400-K402 HydrophobicContact CG1-CG 4.31Å; V400-K402 PolarHBondContact O-N 3.36Å |
| 403 | G | 20.7 | Very low | 29.1 | Very low | 76 Ų | 76 | 144.1 Ų | 144.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | | | trans | -68.1 | 150.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 404 | G | 22.1 | Very low | 29.4 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | 143.3 | 100.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 405 | C | 24.6 | Very low | 29.7 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | 34 | 111.9 | 147.7 | -64.8 | 0 | 0 | 0 | 0 | 119.3 | A407 | C405-A407 PolarHBondContact O-N 3.38Š|
| 406 | G | 24.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 146 Ų | 146 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | | | trans | -61.2 | 124.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 407 | A | 26.9 | Very low | 30 | Very low | 90 Ų | 90 | 142 Ų | 142 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | trans | -138.5 | 98.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | C405 | C405-A407 PolarHBondContact O-N 3.38Š|
| 408 | R | 28.2 | Very low | 30.3 | Very low | 241 Ų | 241 | 141.7 Ų | 141.7 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | | | trans | -92.7 | 105.6 | 165 | -100 | -177.4 | 172.8 | 177.5 | -2.3 | 106.3 | H410 | R408-H410 PolarHBondContact O-N 3.47Š|
| 409 | D | 30.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 105.2 | 161.8 | -73.9 | -41.5 | 0 | 0 | 0 | 108.6 | | |
| 410 | H | 38.3 | Very low | 31.3 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | | | trans | -135.6 | 125.1 | 152.9 | -87.5 | -69 | 0 | 0 | 0 | 109.1 | R408 | R408-H410 PolarHBondContact O-N 3.47Š|
| 411 | K | 36 | Very low | 31.7 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 90% | 0.9 | 76% | 0.757 | S | S | * | * | | | trans | -55.7 | 141 | -175.3 | -74.2 | 169.8 | 169.3 | 176.6 | 0 | 113.4 | | |
| 412 | E | 31.2 | Very low | 32.3 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | -28.2 | 160.5 | 154.4 | -88 | -179.9 | 154 | 0 | 0 | 116.4 | | |
| 413 | P | 38.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | | | cis | -142.9 | 168.9 | 35.9 | 32.5 | -8.6 | 0 | 0 | 0 | 119 | | |
| 414 | E | 37.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 78.2 | 104 | 139 | -78.1 | 169.4 | -156.6 | 0 | 0 | 123.2 | | |
| 415 | H | 34.5 | Very low | 34 | Very low | 154 Ų | 154 | 147 Ų | 147 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | | 76.3 | 131.7 | 117.2 | -96.1 | -85.5 | 0 | 0 | 0 | 124.1 | | |
| 416 | H | 37.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | trans | 69.8 | 143.7 | 153.1 | -75.9 | -71.6 | 0 | 0 | 0 | 118.9 | | |
| 417 | E | 34.6 | Very low | 34.6 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 57% | 0.57 | 73% | 0.734 | S | S | * | * | | | cis | 179.8 | 147.7 | -19.9 | -127.9 | -168.6 | 153.1 | 0 | 0 | 104.4 | | |
| 418 | K | 37.6 | Very low | 34.7 | Very low | 148 Ų | 148 | 147.6 Ų | 147.6 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | trans | 66.8 | 150.3 | 150.1 | -68.6 | 174.7 | 176.4 | 139.2 | 0 | 117.1 | | |
| 419 | E | 37.4 | Very low | 34.9 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | | | cis | -174.4 | 164.3 | 9.3 | -126 | 176.7 | 174.6 | 0 | 0 | 109 | | |
| 420 | E | 36.3 | Very low | 35 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 59% | 0.593 | 73% | 0.728 | S | S | * | * | | | trans | 66.3 | 147.2 | 142.3 | -71.3 | -151.3 | 142.8 | 0 | 0 | 119.7 | | |
| 421 | R | 34.9 | Very low | 35 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | | | cis | -178.9 | 153 | -1.9 | -118.5 | -175.7 | 165.7 | 158.3 | -13.1 | 108.2 | | |
| 422 | Q | 39.9 | Very low | 35 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 55% | 0.547 | 71% | 0.708 | S | S | . | * | | | trans | 70.1 | 151.7 | 134.7 | -74.9 | 178.1 | 1.6 | 0 | 0 | 120.3 | | |
| 423 | K | 39.8 | Very low | 35.4 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 56% | 0.557 | 70% | 0.702 | S | S | * | * | | | cis | -169.6 | 152.9 | 16.4 | -122.3 | 158.8 | -178 | 158.3 | 0 | 110.8 | | |
| 424 | R | 34.8 | Very low | 35.3 | Very low | 220 Ų | 220 | 133.9 Ų | 133.9 | 83% | 0.83 | 70% | 0.702 | S | S | * | * | | | trans | 68.1 | 134.7 | 142.6 | -71.7 | 160.1 | -174.3 | -160.8 | -0.2 | 117.8 | | |
| 425 | G | 31.2 | Very low | 35.2 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | | | cis | 131.3 | 157.4 | 32 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 426 | A | 31.1 | Very low | 34.9 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | cis | -174.9 | 144.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 427 | V | 30.6 | Very low | 34.7 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | | | trans | 66.9 | 126 | 135.9 | -176.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 428 | G | 28.4 | Very low | 34.5 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | | 140 | 116.7 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 429 | G | 33.3 | Very low | 34 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | | | trans | 103.3 | 105.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 430 | H | 32.1 | Very low | 33.4 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 82% | 0.819 | 72% | 0.721 | S | S | * | * | | | | 57.8 | 129.1 | 90.3 | -95.1 | -64.9 | 0 | 0 | 0 | 113.2 | | |
| 431 | D | 38.6 | Very low | 32.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | cis | -162.7 | 145.9 | 30.9 | -91.1 | -56.4 | 0 | 0 | 0 | 111.9 | | |
| 432 | D | 36.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | | | trans | 35.3 | 114.3 | 134.6 | -55.6 | -21.4 | 0 | 0 | 0 | 123 | | |
| 433 | H | 39 | Very low | 32.1 | Very low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | | 162.5 | 125.1 | 100.5 | -98.2 | -65.7 | 0 | 0 | 0 | 112.4 | | |
| 434 | N | 36.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | trans | 44.6 | 130.8 | 134.5 | -68.3 | -5.9 | 0 | 0 | 0 | 119.3 | | |
| 435 | D | 34.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | | | cis | -169.5 | 138.7 | 30.3 | -115.7 | -36.8 | 0 | 0 | 0 | 111.5 | | |
| 436 | C | 28.9 | Very low | 30.6 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | | | trans | 65.9 | 115.2 | 133.2 | -78.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 437 | K | 33.6 | Very low | 30.3 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | | 99 | 86.9 | 118 | -73.3 | 171.3 | -176.1 | 166.4 | 0 | 119.4 | | |
| 438 | V | 29.9 | Very low | 30 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | | 19.2 | 131.7 | 114.1 | -165.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 439 | K | 26.9 | Very low | 29.9 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | 147.5 | 127.1 | 132.9 | -81.1 | 174.5 | -175.5 | -176.5 | 0 | 107.5 | | |
| 440 | G | 24.1 | Very low | 29.6 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | cis | 142.7 | 131.2 | 14 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 441 | V | 24.7 | Very low | 29.3 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 95% | 0.945 | 76% | 0.76 | S | S | * | * | | | trans | 70.4 | 120.4 | 141.8 | -157.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 442 | G | 23.9 | Very low | 28.8 | Very low | 66 Ų | 66 | 144.5 Ų | 144.5 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | | 117.3 | 132.1 | 125.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 443 | P | 37 | Very low | 28.2 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -91.5 | 153.2 | -178.7 | 36.8 | -32 | 0 | 0 | 0 | 113.4 | | |
| 444 | G | 23.2 | Very low | 27.7 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | trans | -177.7 | 123.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 445 | Y | 22.4 | Very low | 27.2 | Very low | 223 Ų | 223 | 143 Ų | 143 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | 4.8 | 137 | 150.4 | -70.8 | -97.1 | 0 | 0 | 0 | 121.9 | | |
| 446 | E | 28.2 | Very low | 26.8 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | 35.5 | 117.1 | 133.6 | -121.5 | 177.8 | -171.3 | 0 | 0 | 119.6 | | |
| 447 | K | 24.1 | Very low | 26.7 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | | -176.6 | 132.9 | 127.5 | -101.4 | 161.7 | -174.7 | 178.9 | 0 | 113.6 | | |
| 448 | S | 24.8 | Very low | 26.4 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 81% | 0.81 | S | S | * | * | | | trans | -14.8 | 147.5 | 155.5 | 54.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 449 | H | 25.9 | Very low | 26.1 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -178.9 | 142.4 | 141 | -83.5 | -58.4 | 0 | 0 | 0 | 105.3 | | |
| 450 | L | 26 | Very low | 26.2 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | cis | -169.9 | 155.9 | 24.4 | -117.4 | 154 | 0 | 0 | 0 | 109.4 | | |
| 451 | D | 27.1 | Very low | 26.4 | Very low | 136 Ų | 136 | 147.5 Ų | 147.5 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | | | trans | -63.7 | 144.8 | -172.8 | -57.1 | -70.8 | 0 | 0 | 0 | 116.5 | | |
| 452 | Y | 26.9 | Very low | 26.7 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | | | trans | -138.4 | 97.6 | 146.7 | -110.4 | -86.7 | 0 | 0 | 0 | 110.2 | G454 | Y452-G454 PolarHBondContact O-N 3.39Å; Y452-G454 VanDerWaalsContact O-N 3.12Å |
| 453 | A | 24.8 | Very low | 26.8 | Very low | 103 Ų | 103 | 155 Ų | 155 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | | | trans | -64 | 102.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 454 | G | 27.4 | Very low | 26.5 | Very low | 61 Ų | 61 | 155.9 Ų | 155.9 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | | | trans | -121.6 | 92.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y452 F456 | Y452-G454 PolarHBondContact O-N 3.39Å; Y452-G454 VanDerWaalsContact O-N 3.12Å; G454-F456 PolarHBondContact O-N 3.5Å |
| 455 | K | 27.5 | Very low | 26.7 | Very low | 216 Ų | 216 | 157 Ų | 157 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | | | trans | -58.4 | 102.4 | 174.4 | -71.5 | 179.2 | 178.6 | 175.6 | 0 | 110.2 | | |
| 456 | F | 26.4 | Very low | 27 | Very low | 200 Ų | 200 | 154.3 Ų | 154.3 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -99.4 | 102.1 | 167.3 | -107 | -90.8 | 0 | 0 | 0 | 110.5 | G454 G458 | G454-F456 PolarHBondContact O-N 3.5Å; F456-G458 PolarHBondContact O-N 3.44Å |
| 457 | K | 25.3 | Very low | 26.9 | Very low | 220 Ų | 220 | 155.7 Ų | 155.7 | 96% | 0.957 | 81% | 0.808 | S | S | * | * | | | trans | -72.6 | 96 | 159 | -79.7 | -177.1 | 174.5 | 179.8 | 0 | 107.6 | | |
| 458 | G | 28.4 | Very low | 27.1 | Very low | 64 Ų | 64 | 154.5 Ų | 154.5 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -161.5 | 89 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F456 A460 | F456-G458 PolarHBondContact O-N 3.44Å; G458-A460 PolarHBondContact O-N 3.37Å |
| 459 | G | 24 | Very low | 27.2 | Very low | 88 Ų | 88 | 159.3 Ų | 159.3 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | | | trans | -65.7 | 123.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 460 | A | 28 | Very low | 27.5 | Very low | 90 Ų | 90 | 159.8 Ų | 159.8 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | | | trans | -170.5 | 89.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | G458 K462 | G458-A460 PolarHBondContact O-N 3.37Å; A460-K462 PolarHBondContact O-N 3.39Å |
| 461 | R | 27.9 | Very low | 27.7 | Very low | 233 Ų | 233 | 158.3 Ų | 158.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -61.9 | 114 | 165.5 | -85.4 | 176.4 | 147.8 | -178.5 | -6.6 | 109.2 | | |
| 462 | K | 31.5 | Very low | 28 | Very low | 195 Ų | 195 | 157.1 Ų | 157.1 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | -96.9 | 114.4 | 162.5 | -74.8 | -178 | 179.3 | 177.3 | 0 | 108.2 | A460 | A460-K462 PolarHBondContact O-N 3.39Š|
| 463 | F | 26.3 | Very low | 28.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 122.1 | 167.3 | -76.5 | -94.8 | 0 | 0 | 0 | 108.9 | | |
| 464 | L | 30.3 | Very low | 28.5 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 130.7 | 162.1 | -81.7 | 158.8 | 0 | 0 | 0 | 107.9 | I466 | L464-I466 PolarHBondContact O-N 3.43Š|
| 465 | P | 28.6 | Very low | 28.6 | Very low | 95 Ų | 95 | 163.1 Ų | 163.1 | 62% | 0.617 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 118.3 | 172.1 | -7.5 | 22.1 | 0 | 0 | 0 | 109.2 | Y467 | P465-Y467 HydrophobicContact CB-CD2 3.85Å; P465-Y467 HydrophobicContact CB-CE2 3.66Å; P465-Y467 HydrophobicContact CG-CE2 4.28Å; P465-Y467 PolarHBondContact O-N 3.23Å |
| 466 | I | 27.2 | Very low | 28.6 | Very low | 167 Ų | 167 | 161.5 Ų | 161.5 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -73.8 | 103.8 | 163.7 | -58.9 | 171.3 | 0 | 0 | 0 | 105.9 | L464 | L464-I466 PolarHBondContact O-N 3.43Š|
| 467 | Y | 27.3 | Very low | 28.6 | Very low | 205 Ų | 205 | 157.7 Ų | 157.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -90.7 | 115.6 | 166.1 | -83.5 | -86 | 0 | 0 | 0 | 108.1 | P465 | P465-Y467 HydrophobicContact CB-CD2 3.85Å; P465-Y467 HydrophobicContact CB-CE2 3.66Å; P465-Y467 HydrophobicContact CG-CE2 4.28Å; P465-Y467 PolarHBondContact O-N 3.23Å |
| 468 | Q | 27.2 | Very low | 28.7 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -70.4 | 122.4 | 159.3 | -79.1 | 175.8 | -24.3 | 0 | 0 | 107.7 | | |
| 469 | K | 27.7 | Very low | 28.7 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -95.8 | 106.4 | 169.6 | -155.2 | -178.2 | -176 | -168.6 | 0 | 106.1 | V471 | K469-V471 PolarHBondContact O-N 3.42Š|
| 470 | E | 32.8 | Very low | 28.8 | Very low | 186 Ų | 186 | 161 Ų | 161 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -70.8 | 118.3 | 164.8 | -69.8 | 178.1 | 161 | 0 | 0 | 107.2 | | |
| 471 | V | 29.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 160.4 Ų | 160.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -103.2 | 110.9 | 167.7 | -174.5 | 0 | 0 | 0 | 0 | 105.5 | K469 | K469-V471 PolarHBondContact O-N 3.42Š|
| 472 | S | 32.6 | Very low | 28.3 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -117 | 94.3 | 167.1 | 57.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 473 | E | 34.3 | Very low | 28.1 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -102.9 | 103.7 | 157.3 | -75.7 | -166.5 | 159.4 | 0 | 0 | 107.6 | K475 | E473-K475 PolarHBondContact O-N 3.29Š|
| 474 | E | 28.1 | Very low | 28 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -75.1 | 103.3 | 155.1 | -69.9 | 178.8 | 161.1 | 0 | 0 | 106.8 | | |
| 475 | K | 30.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -127.9 | 98.7 | 154.7 | -82.8 | -175.8 | -179.1 | 167 | 0 | 108.6 | E473 V477 | E473-K475 PolarHBondContact O-N 3.29Å; K475-V477 PolarHBondContact O-N 3.02Å |
| 476 | E | 26.7 | Very low | 28 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -62 | 104.6 | 164.3 | -159.1 | 177.2 | -157.4 | 0 | 0 | 108 | V478 | E476-V478 HydrophobicContact CG-CG2 4.24Š|
| 477 | V | 26.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -95.1 | 94.1 | 169.3 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | K475 V479 | K475-V477 PolarHBondContact O-N 3.02Å; V477-V479 HydrophobicContact CG1-CG2 3.87Å; V477-V479 PolarHBondContact O-N 3.36Å |
| 478 | V | 28.1 | Very low | 28.8 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | | | trans | -74 | 106.6 | 165 | 176.2 | 0 | 0 | 0 | 0 | 107.8 | E476 K480 | E476-V478 HydrophobicContact CG-CG2 4.24Å; V478-K480 HydrophobicContact CG1-CB 4.5Å |
| 479 | V | 28.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -94.1 | 90.8 | 166.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | V477 | V477-V479 HydrophobicContact CG1-CG2 3.87Å; V477-V479 PolarHBondContact O-N 3.36Å |
| 480 | K | 25.4 | Very low | 29.5 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | | | trans | -139.7 | 107 | 160.4 | -92.5 | -169.3 | 178 | 178.5 | 0 | 109.6 | V478 | V478-K480 HydrophobicContact CG1-CB 4.5Š|
| 481 | G | 23.5 | Very low | 30 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 169 | 119.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 482 | G | 22.4 | Very low | 30.4 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | cis | 136.9 | 120.3 | 14.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 483 | C | 26 | Very low | 30.9 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | trans | -171.3 | 110.6 | 155.2 | -106.5 | 0 | 0 | 0 | 0 | 111 | | |
| 484 | G | 25.9 | Very low | 31 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | 70.3 | 101.2 | 132 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 485 | A | 30.7 | Very low | 31.6 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | | | | -166.1 | 123.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 486 | R | 26.5 | Very low | 32.1 | Very low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -69.3 | 149.7 | 171.7 | -69.7 | 172.1 | 157.9 | 161.4 | -7.6 | 110.2 | | |
| 487 | D | 33.7 | Very low | 32.7 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | | | | 162.4 | 140.9 | 100.6 | -94 | -36.8 | 0 | 0 | 0 | 113.6 | | |
| 488 | H | 37.4 | Very low | 33.4 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 66.3 | 145.1 | 154.9 | -62 | -47 | 0 | 0 | 0 | 120.4 | | |
| 489 | K | 35.2 | Very low | 33.9 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | | | cis | -175 | 143.1 | -19 | -158.2 | 179.1 | -179.4 | -116.1 | 0 | 106.2 | | |
| 490 | E | 35.9 | Very low | 34.3 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | 71.6 | 143.3 | 152.2 | -89.2 | 157.3 | -172.7 | 0 | 0 | 124 | | |
| 491 | P | 43.4 | Very low | 35 | Very low | 110 Ų | 110 | 149 Ų | 149 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -115.7 | -166.1 | -172.6 | 39.1 | -19.2 | 0 | 0 | 0 | 113.3 | | |
| 492 | E | 37.8 | Very low | 35.7 | Very low | 175 Ų | 175 | 156 Ų | 156 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 103.8 | 114.1 | 167.4 | -58.7 | -171.6 | 170.3 | 0 | 0 | 116.8 | | |
| 493 | N | 41.4 | Very low | 36 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | | -169.5 | 119.5 | 121.3 | -97.2 | -56.1 | 0 | 0 | 0 | 111.3 | | |
| 494 | H | 37.2 | Very low | 36.4 | Very low | 183 Ų | 183 | 156.9 Ų | 156.9 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | -74.7 | 153.7 | 160.3 | -94.1 | -85.2 | 0 | 0 | 0 | 109.8 | | |
| 495 | E | 41 | Very low | 36.6 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | | 177.8 | 133.6 | 125.4 | -97.5 | -170.8 | 169.2 | 0 | 0 | 113.7 | | |
| 496 | K | 41.7 | Very low | 37 | Very low | 147 Ų | 147 | 160.6 Ų | 160.6 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | trans | 63.2 | 151.3 | 138 | -63.9 | 171.1 | -172.8 | 154.2 | 0 | 119.2 | | |
| 497 | E | 38.1 | Very low | 37.2 | Very low | 151 Ų | 151 | 154 Ų | 154 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | cis | -172.5 | 145.2 | -2.1 | -109.5 | 173.4 | 130.2 | 0 | 0 | 103.6 | | |
| 498 | E | 40.6 | Very low | 37.4 | Very low | 185 Ų | 185 | 156.8 Ų | 156.8 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | | 169.1 | 115.2 | 99 | -84.3 | -170.5 | 136.6 | 0 | 0 | 106.8 | | |
| 499 | R | 39.6 | Very low | 37.5 | Very low | 226 Ų | 226 | 155 Ų | 155 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | | 63.1 | 95.7 | 87.8 | -82.8 | -172.8 | 173.2 | -172.5 | 0.6 | 118.6 | | |
| 500 | H | 36.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | trans | 27.3 | 137.1 | 131 | -78.2 | -79.4 | 0 | 0 | 0 | 122.6 | | |
| 501 | K | 40.8 | Very low | 37.8 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | | -175.8 | 130.5 | 116 | -100.1 | 165.7 | -173.4 | 174 | 0 | 114.5 | | |
| 502 | R | 38 | Very low | 37.5 | Very low | 224 Ų | 224 | 157.1 Ų | 157.1 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | 63.8 | 134.7 | 141.6 | -56.7 | 169.9 | -171.8 | -170.5 | 0 | 117.5 | | |
| 503 | G | 29.1 | Very low | 37.2 | Very low | 67 Ų | 67 | 152.2 Ų | 152.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | cis | 137.5 | 148.3 | 14 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 504 | I | 33.1 | Very low | 36.8 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | 122.9 | 113.8 | 158.8 | -60.9 | 161.8 | 0 | 0 | 0 | 114.5 | V506 | I504-V506 HydrophobicContact CG2-CG2 4.15Š|
| 505 | V | 31.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 151 Ų | 151 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -107.5 | 133.2 | 164 | 167.9 | 0 | 0 | 0 | 0 | 106 | | |
| 506 | V | 37.8 | Very low | 36 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -143.2 | 122.3 | 157 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | I504 | I504-V506 HydrophobicContact CG2-CG2 4.15Š|
| 507 | S | 32.1 | Very low | 35.3 | Very low | 89 Ų | 89 | 152.6 Ų | 152.6 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | | | trans | -85.2 | 145.7 | 164.1 | 46 | 0 | 0 | 0 | 0 | 110.2 | | |
| 508 | H | 38.2 | Very low | 34.9 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | trans | -166.1 | 148.6 | 136.2 | -105.6 | -55.5 | 0 | 0 | 0 | 112.1 | | |
| 509 | D | 38.5 | Very low | 34.3 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | | | trans | -77.4 | 177.9 | -166.6 | -57.3 | -78.6 | 0 | 0 | 0 | 115.4 | | |
| 510 | D | 37.9 | Very low | 33.6 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 110.8 | 134.9 | 140.9 | -60.2 | -38.5 | 0 | 0 | 0 | 120.2 | | |
| 511 | H | 39.1 | Very low | 33.3 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 102.4 | 84.3 | 157.5 | -57.6 | -53.1 | 0 | 0 | 0 | 119.9 | | |
| 512 | D | 37.7 | Very low | 32.6 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | | 38 | 129.8 | 106.8 | -68.8 | -44 | 0 | 0 | 0 | 120.9 | | |
| 513 | G | 31.1 | Very low | 32.2 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | | 128.3 | 117.4 | 122.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 514 | C | 32.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | 66.5 | 117.3 | 147.4 | -78.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 515 | K | 31.2 | Very low | 31.9 | Very low | 198 Ų | 198 | 137 Ų | 137 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | | 55.7 | 118.8 | 71.4 | -76.7 | -173.9 | 179.6 | 172 | 0 | 115.7 | | |
| 516 | C | 29.7 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 149.1 | 116.5 | 139.4 | -80.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 517 | K | 27.3 | Very low | 31.1 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | | | | 72.6 | 129.5 | 95.7 | -76.3 | -174 | 176.8 | 178.6 | 0 | 116.1 | | |
| 518 | G | 29.5 | Very low | 30.9 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | 141 | 94 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 519 | V | 29.4 | Very low | 30.4 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | | | | 76.4 | 121.2 | 84.5 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 520 | G | 23.7 | Very low | 29.8 | Very low | 68 Ų | 68 | 145.1 Ų | 145.1 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -86.9 | -175.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 521 | P | 31.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | | -143.9 | 161.2 | 112.3 | 34 | -16.4 | 0 | 0 | 0 | 111.4 | | |
| 522 | G | 25.3 | Very low | 28.8 | Very low | 61 Ų | 61 | 139.1 Ų | 139.1 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | | | cis | 100 | 81.9 | 32.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 523 | Y | 31.2 | Very low | 28.3 | Very low | 240 Ų | 240 | 139.8 Ų | 139.8 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | | | trans | -150.8 | 135.9 | 156.2 | -88 | -74.1 | 0 | 0 | 0 | 112.4 | | |
| 524 | E | 27.7 | Very low | 28.2 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | | | trans | -116.5 | 159.9 | -166.9 | -146.2 | -172.2 | -157.8 | 0 | 0 | 108.6 | | |
| 525 | K | 27.1 | Very low | 27.9 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | trans | 72.1 | 113.8 | 158.5 | -66.5 | 167.9 | 175.1 | 128.7 | 0 | 119.5 | | |
| 526 | S | 27.5 | Very low | 27.9 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | | -162.7 | 124.9 | 113 | 56.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 527 | H | 26.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | | | trans | -56.3 | 149.9 | 165.6 | -78.4 | -108.6 | 0 | 0 | 0 | 112.1 | | |
| 528 | L | 26.7 | Very low | 27.8 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | | -178.2 | 110.6 | 121.3 | -106.3 | 136.5 | 0 | 0 | 0 | 110.3 | | |
| 529 | D | 27 | Very low | 27.9 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | -67.7 | 139.8 | 163.3 | -71.6 | -50.2 | 0 | 0 | 0 | 109.9 | | |
| 530 | Y | 26 | Very low | 28 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | | | trans | -154.4 | 119.3 | 136.4 | -119.4 | -85 | 0 | 0 | 0 | 109.1 | | |
| 531 | A | 27.3 | Very low | 28.2 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | | | trans | -59.2 | 135.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 532 | G | 28.7 | Very low | 28.3 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -151.9 | 84.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 533 | H | 28.9 | Very low | 28.7 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | -52.4 | 134.6 | 177.1 | -77.5 | -57.4 | 0 | 0 | 0 | 113.6 | | |
| 534 | F | 27.2 | Very low | 28.6 | Very low | 210 Ų | 210 | 149.2 Ų | 149.2 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | | | trans | -111.3 | 107.3 | 147.3 | -113.6 | -89 | 0 | 0 | 0 | 109.1 | | |
| 535 | K | 28 | Very low | 28.8 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | -80.2 | 113.5 | 162.5 | -84 | 175.8 | 173.7 | 173.4 | 0 | 107.4 | | |
| 536 | G | 30 | Very low | 29 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | -154.1 | 118.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 537 | G | 27.2 | Very low | 29.2 | Very low | 78 Ų | 78 | 156.6 Ų | 156.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -59.6 | 143.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | R539 | G537-R539 PolarHBondContact O-N 3.41Å; G537-R539 VanDerWaalsContact O-N 3.13Å |
| 538 | A | 28.8 | Very low | 29.7 | Very low | 106 Ų | 106 | 153 Ų | 153 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -64.1 | 107.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 539 | R | 30.7 | Very low | 30.3 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | -67.4 | 124.1 | 156.6 | -80.2 | 178.1 | 155.4 | -172 | -6.1 | 109 | G537 F541 | G537-R539 PolarHBondContact O-N 3.41Å; G537-R539 VanDerWaalsContact O-N 3.13Å; R539-F541 HydrophobicContact CB-CE2 4.09Å; R539-F541 PolarHBondContact O-N 3.13Å |
| 540 | K | 31.7 | Very low | 30.9 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -73.5 | 114.6 | 168 | -71.1 | 179.1 | 179.1 | 177 | 0 | 108.8 | | |
| 541 | F | 28.5 | Very low | 31.6 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 79% | 0.789 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 130 | 164.1 | -72.3 | -89.1 | 0 | 0 | 0 | 109.1 | R539 | R539-F541 HydrophobicContact CB-CE2 4.09Å; R539-F541 PolarHBondContact O-N 3.13Å |
| 542 | L | 33.3 | Very low | 32 | Very low | 158 Ų | 158 | 153 Ų | 153 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 144 | 173.1 | -80.6 | 141.1 | 0 | 0 | 0 | 110.4 | I544 | L542-I544 PolarHBondContact O-N 3.26Š|
| 543 | P | 33 | Very low | 32.3 | Very low | 92 Ų | 92 | 156.8 Ų | 156.8 | 60% | 0.597 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.6 | 167.5 | 25.8 | -30.4 | 0 | 0 | 0 | 110.3 | Y545 | P543-Y545 HydrophobicContact CB-CE2 4.02Å; P543-Y545 HydrophobicContact CG-CE2 3.92Å |
| 544 | I | 29.8 | Very low | 32.5 | Very low | 151 Ų | 151 | 155 Ų | 155 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | trans | -88.3 | 114 | 172.8 | -59.4 | 173.3 | 0 | 0 | 0 | 107.5 | L542 | L542-I544 PolarHBondContact O-N 3.26Š|
| 545 | Y | 30.8 | Very low | 33 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -93.3 | 121.3 | 168.3 | -65.7 | -89 | 0 | 0 | 0 | 108.7 | P543 | P543-Y545 HydrophobicContact CB-CE2 4.02Å; P543-Y545 HydrophobicContact CG-CE2 3.92Å |
| 546 | K | 31.8 | Very low | 33.2 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | | | trans | -100 | 108.1 | 169.6 | -161.9 | 176 | -176.6 | -178.7 | 0 | 108.4 | V548 | K546-V548 HydrophobicContact CG-CG2 4.33Å; K546-V548 PolarHBondContact O-N 3.33Å |
| 547 | K | 30.7 | Very low | 33.5 | Very low | 201 Ų | 201 | 145 Ų | 145 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -77.5 | 116.4 | 175.9 | -138.8 | 177.1 | -173.7 | -178.7 | 0 | 107.9 | | |
| 548 | V | 37.7 | Very low | 33.9 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 56% | 0.564 | 73% | 0.732 | S | S | * | * | | | trans | -125.6 | 116.4 | 170.1 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | K546 G550 | K546-V548 HydrophobicContact CG-CG2 4.33Å; K546-V548 PolarHBondContact O-N 3.33Å; V548-G550 PolarHBondContact O-N 3.3Å |
| 549 | H | 39.5 | Very low | 33.9 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.4 | 56.8 | 170.1 | -70.7 | -75.4 | 0 | 0 | 0 | 118.3 | K551 | H549-K551 PolarHBondContact O-N 3.44Š|
| 550 | G | 40.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | 4.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | V548 | V548-G550 PolarHBondContact O-N 3.3Š|
| 551 | K | 40.9 | Very low | 33.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.735 | 72% | 0.718 | S | S | * | * | | | trans | -124.8 | 123.2 | 176 | -69.9 | -176.5 | 178.2 | -179.9 | 0 | 109.7 | H549 H553 | H549-K551 PolarHBondContact O-N 3.44Å; K551-H553 PolarHBondContact O-N 3.27Å |
| 552 | Q | 35.6 | Very low | 33.8 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 95% | 0.953 | 72% | 0.717 | S | S | * | * | | | trans | -71.8 | 108.8 | 174.1 | -72.9 | -174.5 | -6 | 0 | 0 | 109 | | |
| 553 | H | 34.3 | Very low | 33.8 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | trans | -100 | 127 | 163.5 | -85.4 | -88.7 | 0 | 0 | 0 | 109.2 | K551 V555 | K551-H553 PolarHBondContact O-N 3.27Å; H553-V555 HydrophobicContact CB-CG2 4.35Å; H553-V555 PolarHBondContact O-N 3.3Å |
| 554 | E | 33.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | | | trans | -70.4 | 108.9 | 164.5 | -138.3 | 178 | -175.9 | 0 | 0 | 106.9 | G82 | G82-E554 VanDerWaalsContact CA-OE1 3.28Å; G82-E554 WeakPolarHBondContact CA-OE1 3.31Å |
| 555 | V | 36.7 | Very low | 33.9 | Very low | 94 Ų | 94 | 132 Ų | 132 | 57% | 0.57 | 73% | 0.725 | S | S | * | * | | | trans | -106.4 | 107.4 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | H81 H553 | H81-V555 WeakPolarHBondContact CB-O 3.21Å; H81-V555 PolarHBondContact ND1-O 3.47Å; H81-V555 CarbonylContact O-C 3.03Å; H553-V555 HydrophobicContact CB-CG2 4.35Å; H553-V555 PolarHBondContact O-N 3.3Å |
| 556 | L | 33.6 | Very low | 34.1 | Very low | 43 Ų | 43 | 130.5 Ų | 130.5 | 23% | 0.225 | 73% | 0.725 | C | S | . | * | | | trans | -83 | 112.7 | 166.9 | -163.2 | 106.7 | 0 | 0 | 0 | 113.6 | V80 H81 G82 E83 K558 | V80-L556 WeakPolarHBondContact O-CD1 3.39Å; H81-L556 HydrophobicContact CB-CD1 3.85Å; H81-L556 HydrophobicContact CB-CG 4.24Å; H81-L556 WeakPolarHBondContact O-CA 3.43Å; H81-L556 WeakPolarHBondContact O-CB 3.34Å; H81-L556 VanDerWaalsContact O-CD1 3.31Å; H81-L556 WeakPolarHBondContact O-CD1 3.44Å; H81-L556 PolarHBondContact O-N 3.17Å; G82-L556 VanDerWaalsContact C-CD1 3.46Å; E83-L556 HydrophobicContact CB-CB 4.36Å; E83-L556 HydrophobicContact CB-CD1 3.3Å; E83-L556 HydrophobicContact CB-CD2 3.54Å; E83-L556 HydrophobicContact CB-CG 3.82Å; E83-L556 HydrophobicContact CG-CB 3.68Å; E83-L556 HydrophobicContact CG-CD1 3.63Å; E83-L556 HydrophobicContact CG-CD2 3.18Å; E83-L556 HydrophobicContact CG-CG 3.57Å; E83-L556 WeakPolarHBondContact OE1-CD2 3.37Å; E83-L556 WeakPolarHBondContact OE2-CD2 3.08Å; L556-K558 VanDerWaalsContact CD2-CA 3.46Å; L556-K558 HydrophobicContact CD2-CB 3.56Å; L556-K558 HydrophobicContact CD2-CD 4.49Å; L556-K558 HydrophobicContact CD2-CG 3.77Å; L556-K558 VanDerWaalsContact CD2-N 3.31Å; L556-K558 PolarHBondContact O-N 3.16Å |
| 557 | V | 35.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | | | trans | -78.8 | 96.8 | 157.8 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | G559 | V557-G559 PolarHBondContact O-N 3.02Š|
| 558 | K | 35.2 | Very low | 34.5 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 57% | 0.574 | 71% | 0.713 | S | S | * | * | | | trans | -76.1 | 94.9 | 171.2 | -144.2 | 172.2 | -165.8 | 141.4 | 0 | 107.9 | E83 L556 G560 | E83-K558 VanDerWaalsContact CD-CE 3.49Å; E83-K558 VanDerWaalsContact OE1-CD 3.23Å; E83-K558 WeakPolarHBondContact OE1-CD 3.42Å; E83-K558 VanDerWaalsContact OE1-CE 3.25Å; E83-K558 WeakPolarHBondContact OE1-CE 3.44Å; E83-K558 IonicContact OE1-NZ 2.73Å; E83-K558 PolarHBondContact OE1-NZ 3.2Å; E83-K558 VanDerWaalsContact OE2-CD 3.27Å; E83-K558 WeakPolarHBondContact OE2-CD 3.46Å; E83-K558 WeakPolarHBondContact OE2-CE 3.48Å; E83-K558 VanDerWaalsContact OE2-CG 3.26Å; E83-K558 WeakPolarHBondContact OE2-CG 3.46Å; E83-K558 IonicContact OE2-NZ 3.13Å; E83-K558 PolarHBondContact OE2-NZ 3.32Å; E83-K558 VanDerWaalsContact OE2-NZ 3.13Å; L556-K558 VanDerWaalsContact CD2-CA 3.46Å; L556-K558 HydrophobicContact CD2-CB 3.56Å; L556-K558 HydrophobicContact CD2-CD 4.49Å; L556-K558 HydrophobicContact CD2-CG 3.77Å; L556-K558 VanDerWaalsContact CD2-N 3.31Å; L556-K558 PolarHBondContact O-N 3.16Å; K558-G560 VanDerWaalsContact C-N 3.31Å; K558-G560 PolarHBondContact O-N 3.28Å |
| 559 | G | 29.7 | Very low | 34.6 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | | | trans | -65.9 | 92.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V557 | V557-G559 PolarHBondContact O-N 3.02Š|
| 560 | G | 27.7 | Very low | 34.6 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | | | trans | -100 | 113.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | K558 | K558-G560 VanDerWaalsContact C-N 3.31Å; K558-G560 PolarHBondContact O-N 3.28Å |
| 561 | C | 28.6 | Very low | 34.5 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 97% | 0.973 | 71% | 0.714 | S | S | * | * | | | trans | -94.3 | 112.7 | 150.1 | -82.8 | 0 | 0 | 0 | 0 | 106 | | |
| 562 | G | 31.4 | Very low | 34.5 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | | | trans | -155.3 | 100.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 563 | A | 33.6 | Very low | 34.6 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | | | trans | -74.8 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 564 | H | 31.6 | Very low | 35.1 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | | | trans | 93.9 | 124.5 | -177.6 | -65 | -86.2 | 0 | 0 | 0 | 113.4 | | |
| 565 | E | 33.6 | Very low | 35.4 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | | | cis | -136 | 138.4 | 24.1 | -69 | -178.5 | 148.8 | 0 | 0 | 112.9 | | |
| 566 | H | 34.8 | Very low | 35.6 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | | | trans | -83 | 126.9 | 153.3 | -101.9 | -102.3 | 0 | 0 | 0 | 108 | | |
| 567 | K | 37.5 | Very low | 36 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | | | trans | -124.7 | 103.4 | 150.3 | -88.2 | -177.6 | -179.7 | 170.4 | 0 | 108.4 | | |
| 568 | Q | 34.9 | Very low | 36.5 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | trans | -118.8 | 105.1 | 164.4 | -168 | 177.1 | 18 | 0 | 0 | 104.5 | | |
| 569 | W | 39.2 | Very low | 37 | Very low | 250 Ų | 250 | 146.3 Ų | 146.3 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | | | trans | -132.7 | 119.9 | 164.3 | -84.1 | 75.6 | 0 | 0 | 0 | 107.8 | | |
| 570 | H | 39.5 | Very low | 38.1 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | | | trans | -74.3 | 164.1 | 179.4 | -75.4 | -100.7 | 0 | 0 | 0 | 111.5 | | |
| 571 | H | 38.2 | Very low | 39.2 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | | | trans | 116.6 | 115 | 139.4 | -74.1 | -65.8 | 0 | 0 | 0 | 119.1 | | |
| 572 | H | 40.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.787 | 74% | 0.743 | S | S | * | * | | | trans | 82.8 | 108.1 | 142.8 | -62.1 | -55.8 | 0 | 0 | 0 | 120.7 | | |
| 573 | A | 38.1 | Very low | 41.3 | Very low | 91 Ų | 91 | 156.1 Ų | 156.1 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -77.9 | -167.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 574 | P | 44.8 | Very low | 42 | Very low | 107 Ų | 107 | 159 Ų | 159 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | | -125.6 | 175.5 | -68.5 | 36.1 | -20.7 | 0 | 0 | 0 | 111.2 | | |
| 575 | H | 40.3 | Very low | 43.2 | Very low | 144 Ų | 144 | 160.6 Ų | 160.6 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | | | trans | 170.6 | 143.1 | 135.2 | -105.8 | -75.2 | 0 | 0 | 0 | 116.2 | | |
| 576 | Y | 40.3 | Very low | 44.5 | Very low | 172 Ų | 172 | 165.2 Ų | 165.2 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 71.7 | 110.7 | 149.4 | -72 | -56.5 | 0 | 0 | 0 | 120.5 | | |
| 577 | E | 41.7 | Very low | 44.9 | Very low | 165 Ų | 165 | 164.8 Ų | 164.8 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | | | | 83.6 | 105 | 93.7 | -92 | 173.7 | -161.3 | 0 | 0 | 112.5 | | |
| 578 | W | 44.8 | Very low | 45.3 | Very low | 215 Ų | 215 | 163.7 Ų | 163.7 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | | | | 79.8 | 107.7 | 94.5 | -152.4 | 58.6 | 0 | 0 | 0 | 112.9 | | |
| 579 | E | 47.4 | Very low | 45.9 | Very low | 193 Ų | 193 | 165.3 Ų | 165.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | trans | -158.8 | 103.2 | 146 | -111.4 | 178 | -163.7 | 0 | 0 | 110.7 | | |
| 580 | E | 51.4 | Low | 46.3 | Very low | 119 Ų | 119 | 160.3 Ų | 160.3 | 56% | 0.556 | 74% | 0.744 | S | S | * | * | | | trans | -7.3 | 139.6 | 141.6 | -132.7 | 172.9 | -148.1 | 0 | 0 | 117.9 | | |
| 581 | K | 50.6 | Low | 46.7 | Very low | 167 Ų | 167 | 161.8 Ų | 161.8 | 73% | 0.726 | 75% | 0.751 | S | S | * | * | | | | 164.4 | 126.2 | 106.6 | -80.5 | -154.1 | 174.4 | 160.7 | 0 | 113.5 | | |
| 582 | H | 51.7 | Low | 47.3 | Very low | 133 Ų | 133 | 162.7 Ų | 162.7 | 62% | 0.616 | 76% | 0.755 | S | S | * | * | | | trans | 48.2 | 148.2 | 131.1 | -65 | -96.8 | 0 | 0 | 0 | 119.9 | | |
| 583 | E | 53.3 | Low | 47.8 | Very low | 137 Ų | 137 | 162.1 Ų | 162.1 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | | | cis | -174.7 | 154.9 | -4.4 | -117.9 | 170 | 154.9 | 0 | 0 | 105.5 | | |
| 584 | E | 48.5 | Very low | 48.5 | Very low | 150 Ų | 150 | 167.6 Ų | 167.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | 45.7 | 119.2 | 144 | -63.2 | -177.2 | 150.7 | 0 | 0 | 121.6 | | |
| 585 | R | 56.1 | Low | 48.9 | Very low | 220 Ų | 220 | 172.7 Ų | 172.7 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | | 166.6 | 104.4 | 108.5 | -92.9 | 179.3 | -108.9 | -143.3 | -6.3 | 111.4 | | |
| 586 | H | 60.3 | Low | 49.6 | Very low | 257 Ų | 257 | 175.3 Ų | 175.3 | 100% | 1.19 | 77% | 0.766 | S | S | * | * | | | | 169.3 | 0 | 116.7 | -100.5 | -70.6 | 0 | 0 | 0 | 112.3 | | |