| 1 | M | 54.5 | Low | 71.2 | Confident | 205 Ų | 205 | 116.8 Ų | 116.8 | 100% | 1.01 | 62% | 0.618 | S | S | * | * | | | | 0 | -42.9 | 0 | -84.9 | 170.5 | 161.9 | 0 | 0 | 113.5 | L3 L4 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.82Å; M1-L4 PolarHBondContact O-N 3.44Å |
| 2 | N | 69.3 | Low | 71.1 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -52.6 | -29.8 | -165.7 | -54.5 | 16.7 | 0 | 0 | 0 | 116.8 | V5 F6 | N2-V5 PolarHBondContact O-N 2.69Å; N2-F6 PolarHBondContact O-N 2.96Å |
| 3 | L | 68 | Low | 71.2 | Confident | 155 Ų | 155 | 114.1 Ų | 114.1 | 81% | 0.812 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -34.5 | 175.4 | -82.8 | 163.9 | 0 | 0 | 0 | 114.1 | M1 V5 F6 S7 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.82Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.41Å; L3-F6 PolarHBondContact O-N 3.2Å; L3-S7 PolarHBondContact O-N 2.92Å |
| 4 | L | 69.2 | Low | 71.2 | Confident | 125 Ų | 125 | 114 Ų | 114 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -36.3 | 176.7 | -101.7 | 162.8 | 0 | 0 | 0 | 111.6 | M1 F6 S7 I8 | M1-L4 PolarHBondContact O-N 3.44Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 PolarHBondContact O-N 3.41Å; L4-S7 PolarHBondContact O-N 2.97Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 3.33Å |
| 5 | V | 72.7 | Confident | 71.1 | Confident | 82 Ų | 82 | 114.1 Ų | 114.1 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.2 | -38.3 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | N2 L3 I8 L9 | N2-V5 PolarHBondContact O-N 2.69Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.41Å; V5-I8 PolarHBondContact O-N 3.33Å; V5-L9 HydrophobicContact CG1-CD1 4.48Å; V5-L9 PolarHBondContact O-N 2.72Å |
| 6 | F | 73.7 | Confident | 70.8 | Confident | 140 Ų | 140 | 112.1 Ų | 112.1 | 61% | 0.614 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -36.3 | 176.3 | -108.2 | -85.6 | 0 | 0 | 0 | 113.3 | N2 L3 L4 L9 I10 | N2-F6 PolarHBondContact O-N 2.96Å; L3-F6 PolarHBondContact O-N 3.2Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 PolarHBondContact O-N 3.41Å; F6-L9 PolarHBondContact O-N 3.24Å; F6-I10 WeakPolarHBondContact O-CG1 3.27Å; F6-I10 PolarHBondContact O-N 3.47Å |
| 7 | S | 75.9 | Confident | 70.4 | Confident | 70 Ų | 70 | 111.6 Ų | 111.6 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 176 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | L3 L4 I10 T11 | L3-S7 PolarHBondContact O-N 2.92Å; L4-S7 PolarHBondContact O-N 2.97Å; S7-I10 PolarHBondContact O-N 2.95Å; S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.39Å |
| 8 | I | 75.2 | Confident | 69.8 | Low | 101 Ų | 101 | 116 Ų | 116 | 52% | 0.518 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -38.1 | 178.2 | -63.5 | 166.2 | 0 | 0 | 0 | 111.2 | L4 V5 I10 T11 C12 | L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 3.33Å; V5-I8 PolarHBondContact O-N 3.33Å; I8-I10 PolarHBondContact O-N 3.41Å; I8-T11 PolarHBondContact O-N 3.26Å; I8-T11 PolarHBondContact O-OG1 3.19Å; I8-T11 VanDerWaalsContact O-OG1 3.07Å; I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 VanDerWaalsContact O-N 3.11Å; I8-C12 PolarHBondContact O-SG 3.5Å; I8-C12 VanDerWaalsContact O-SG 3.33Å |
| 9 | L | 72.8 | Confident | 69.3 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.9 | -39.3 | 176.5 | -78.2 | 164 | 0 | 0 | 0 | 112.8 | V5 F6 C12 L13 | V5-L9 HydrophobicContact CG1-CD1 4.48Å; V5-L9 PolarHBondContact O-N 2.72Å; F6-L9 PolarHBondContact O-N 3.24Å; L9-C12 PolarHBondContact O-N 3.07Å; L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 3.48Å |
| 10 | I | 77.4 | Confident | 68.6 | Low | 96 Ų | 96 | 111.4 Ų | 111.4 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69 | -40 | 179.9 | -66.4 | 168 | 0 | 0 | 0 | 111.4 | F6 S7 I8 L13 L14 | F6-I10 WeakPolarHBondContact O-CG1 3.27Å; F6-I10 PolarHBondContact O-N 3.47Å; S7-I10 PolarHBondContact O-N 2.95Å; I8-I10 PolarHBondContact O-N 3.41Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-L14 HydrophobicContact CG2-CD1 4.35Å; I10-L14 PolarHBondContact O-N 3.29Å; I10-L14 VanDerWaalsContact O-N 3.16Å |
| 11 | T | 74.7 | Confident | 68 | Low | 77 Ų | 77 | 116 Ų | 116 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.3 | -34.6 | 176.6 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | S7 I8 L13 L14 N15 | S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.39Å; I8-T11 PolarHBondContact O-N 3.26Å; I8-T11 PolarHBondContact O-OG1 3.19Å; I8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.43Å; T11-L14 PolarHBondContact O-N 3.25Å; T11-N15 PolarHBondContact O-N 3.49Å; T11-N15 PolarHBondContact O-ND2 3.5Å |
| 12 | C | 70.3 | Confident | 67.9 | Low | 78 Ų | 78 | 112.8 Ų | 112.8 | 53% | 0.527 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 170.1 | -73.3 | 0 | 0 | 0 | 0 | 112.8 | I8 L9 S16 | I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 VanDerWaalsContact O-N 3.11Å; I8-C12 PolarHBondContact O-SG 3.5Å; I8-C12 VanDerWaalsContact O-SG 3.33Å; L9-C12 PolarHBondContact O-N 3.07Å; C12-S16 PolarHBondContact O-N 3.27Å; C12-S16 VanDerWaalsContact O-N 3.17Å |
| 13 | L | 71.6 | Confident | 67 | Low | 120 Ų | 120 | 109 Ų | 109 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.8 | -42 | 178.7 | -73.6 | 169.7 | 0 | 0 | 0 | 112.6 | L9 I10 T11 N15 S16 V17 | L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 3.45Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.43Å; L13-N15 PolarHBondContact O-N 3.18Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-V17 PolarHBondContact O-N 3.33Å |
| 14 | L | 72 | Confident | 65.8 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.1 | -40.6 | 178.3 | -72.1 | 168.1 | 0 | 0 | 0 | 112.3 | I10 T11 S16 V17 Y18 | I10-L14 HydrophobicContact CG2-CD1 4.35Å; I10-L14 PolarHBondContact O-N 3.29Å; I10-L14 VanDerWaalsContact O-N 3.16Å; T11-L14 PolarHBondContact O-N 3.25Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.49Å; L14-V17 PolarHBondContact O-N 3.11Å; L14-Y18 PolarHBondContact O-N 3.48Å; L14-Y18 VanDerWaalsContact O-N 3.1Å |
| 15 | N | 69.5 | Low | 64.5 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -34.9 | 174.7 | -73.9 | -24.7 | 0 | 0 | 0 | 112.5 | T11 L13 Y18 S19 | T11-N15 PolarHBondContact O-N 3.49Å; T11-N15 PolarHBondContact O-ND2 3.5Å; L13-N15 PolarHBondContact O-N 3.18Å; N15-Y18 PolarHBondContact O-N 3.43Å; N15-S19 WeakPolarHBondContact O-CB 3.45Å; N15-S19 PolarHBondContact O-N 3.2Å |
| 16 | S | 66.6 | Low | 63 | Low | 82 Ų | 82 | 116.7 Ų | 116.7 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.6 | -44.2 | 174.6 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | C12 L13 L14 S19 G20 | C12-S16 PolarHBondContact O-N 3.27Å; C12-S16 VanDerWaalsContact O-N 3.17Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.36Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-N 3.3Å; S16-G20 PolarHBondContact O-N 3.47Å; S16-G20 VanDerWaalsContact O-N 3.16Å |
| 17 | V | 64.1 | Low | 61.2 | Low | 103 Ų | 103 | 113.6 Ų | 113.6 | 62% | 0.624 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | L13 L14 S19 G20 | L13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.11Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.17Å; V17-G20 PolarHBondContact O-N 3.21Å; V17-G20 VanDerWaalsContact O-N 3.15Å |
| 18 | Y | 59.9 | Low | 59.5 | Low | 191 Ų | 191 | 118.6 Ų | 118.6 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.7 | -34.6 | 178.4 | -132.9 | -88.8 | 0 | 0 | 0 | 112.5 | L14 N15 G20 | L14-Y18 PolarHBondContact O-N 3.48Å; L14-Y18 VanDerWaalsContact O-N 3.1Å; N15-Y18 PolarHBondContact O-N 3.43Å; Y18-G20 VanDerWaalsContact C-N 3.28Å; Y18-G20 PolarHBondContact O-N 3.16Å |
| 19 | S | 59.7 | Low | 57.8 | Low | 87 Ų | 87 | 119 Ų | 119 | 61% | 0.608 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -68.9 | -25.2 | 173.4 | -166.1 | 0 | 0 | 0 | 0 | 113.1 | N15 S16 V17 | N15-S19 WeakPolarHBondContact O-CB 3.45Å; N15-S19 PolarHBondContact O-N 3.2Å; S16-S19 PolarHBondContact O-N 3.3Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.17Å |
| 20 | G | 55.4 | Low | 56.1 | Low | 53 Ų | 53 | 118.8 Ų | 118.8 | 55% | 0.546 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -66.3 | -33.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S16 V17 Y18 N22 G23 | S16-G20 PolarHBondContact O-N 3.47Å; S16-G20 VanDerWaalsContact O-N 3.16Å; V17-G20 PolarHBondContact O-N 3.21Å; V17-G20 VanDerWaalsContact O-N 3.15Å; Y18-G20 VanDerWaalsContact C-N 3.28Å; Y18-G20 PolarHBondContact O-N 3.16Å; G20-N22 VanDerWaalsContact C-N 3.31Å; G20-N22 PolarHBondContact O-N 3.22Å; G20-G23 PolarHBondContact O-N 2.97Å; G20-G23 VanDerWaalsContact O-N 3.1Å |
| 21 | Y | 56.2 | Low | 54.3 | Low | 208 Ų | 208 | 122.5 Ų | 122.5 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -17.1 | -177.6 | -107.2 | -89.8 | 0 | 0 | 0 | 114.7 | | |
| 22 | N | 52.1 | Low | 52.6 | Low | 138 Ų | 138 | 124.9 Ų | 124.9 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 13.4 | 169.5 | -75 | -32.6 | 0 | 0 | 0 | 112.6 | G20 Y24 | G20-N22 VanDerWaalsContact C-N 3.31Å; G20-N22 PolarHBondContact O-N 3.22Å; N22-Y24 PolarHBondContact O-N 3.38Å |
| 23 | G | 49.6 | Very low | 51.1 | Low | 56 Ų | 56 | 127.1 Ų | 127.1 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | | | trans | -68.2 | 14 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | G20 T25 | G20-G23 PolarHBondContact O-N 2.97Å; G20-G23 VanDerWaalsContact O-N 3.1Å; G23-T25 PolarHBondContact O-N 3.1Å |
| 24 | Y | 43 | Very low | 49.6 | Very low | 221 Ų | 221 | 133 Ų | 133 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | trans | -89.6 | 71.6 | 173.8 | -82.4 | -81.1 | 0 | 0 | 0 | 111.5 | N22 | N22-Y24 PolarHBondContact O-N 3.38Š|
| 25 | T | 42.7 | Very low | 48.3 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -174.5 | 94.1 | 152.4 | 16.7 | 0 | 0 | 0 | 0 | 110.2 | G23 | G23-T25 PolarHBondContact O-N 3.1Š|
| 26 | N | 40.2 | Very low | 46.9 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | | | trans | -82.1 | 125.2 | 163.9 | -83 | -45.1 | 0 | 0 | 0 | 109.5 | | |
| 27 | G | 36.8 | Very low | 45.6 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 74.4 | 71.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 28 | I | 40 | Very low | 44.5 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -120.7 | 116.3 | 141.8 | -61.8 | -177.4 | 0 | 0 | 0 | 107.7 | | |
| 29 | S | 38.9 | Very low | 43.7 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -84.9 | 127.2 | 177.3 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 30 | A | 36.6 | Very low | 42.9 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | 52.2 | 117.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 31 | I | 40 | Very low | 42.4 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | | | | -154.8 | 150.1 | 127.5 | -102.5 | 150.9 | 0 | 0 | 0 | 108.9 | | |
| 32 | T | 38.9 | Very low | 41.9 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -80.3 | 140.7 | -170.7 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 33 | S | 40 | Very low | 41.4 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | | | trans | -168.6 | 138 | 138.4 | -84.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 34 | R | 39.4 | Very low | 41 | Very low | 243 Ų | 243 | 133.3 Ų | 133.3 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -119.9 | 153.9 | 167.1 | -117.5 | 177.5 | 167.5 | -168.6 | -4.8 | 105.8 | | |
| 35 | P | 44.6 | Very low | 41 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | | -158.4 | 179 | 69.3 | 41.6 | -20.7 | 0 | 0 | 0 | 118 | | |
| 36 | G | 39.7 | Very low | 41.2 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | | | trans | 83.1 | 151.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 37 | G | 40.4 | Very low | 41.3 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | cis | 169.4 | 147.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 38 | G | 40.4 | Very low | 41.5 | Very low | 68 Ų | 68 | 132.5 Ų | 132.5 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 92.4 | 131.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 39 | E | 43.3 | Very low | 41.6 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | cis | 94.3 | 138 | 45 | -77.1 | 173.5 | -155.1 | 0 | 0 | 112.9 | | |
| 40 | S | 42.5 | Very low | 41.7 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | | | cis | -172.1 | 173.8 | -9.5 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 41 | H | 45.8 | Very low | 41.9 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | 70 | 157.9 | 166.9 | -58.7 | -74.3 | 0 | 0 | 0 | 119.2 | | |
| 42 | E | 44.8 | Very low | 42 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | cis | -177.6 | 169.1 | -31.6 | -110.9 | -169.2 | -90.7 | 0 | 0 | 109.6 | | |
| 43 | N | 42.5 | Very low | 42.2 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -164.2 | 150.7 | -21.8 | -148.2 | -13.5 | 0 | 0 | 0 | 113.8 | | |
| 44 | S | 40.9 | Very low | 42.2 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | | | trans | 55.1 | 160.2 | 140.2 | 65 | 0 | 0 | 0 | 0 | 126.9 | | |
| 45 | V | 42 | Very low | 42.4 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | | | trans | 88.8 | 130.8 | 162.9 | -176.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 46 | D | 46.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | cis | 99 | 150.2 | 8.8 | -60.8 | -71.3 | 0 | 0 | 0 | 117.4 | | |
| 47 | V | 43.3 | Very low | 42.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | | | cis | -153.1 | 146 | 2.9 | 95 | 0 | 0 | 0 | 0 | 114.1 | | |
| 48 | Y | 40.3 | Very low | 42.1 | Very low | 204 Ų | 204 | 138.6 Ų | 138.6 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | | | trans | 37.8 | 155.7 | 148.9 | -104.2 | -92.2 | 0 | 0 | 0 | 127 | | |
| 49 | N | 43 | Very low | 42.1 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | | | trans | 84.5 | 162.6 | 153.7 | -67.6 | -51.2 | 0 | 0 | 0 | 122.2 | | |
| 50 | K | 39.8 | Very low | 41.8 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | | | cis | 178.1 | 159.4 | -39.2 | -158 | 164.9 | 170.4 | -164 | 0 | 112.6 | | |
| 51 | Y | 42.6 | Very low | 41.7 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | | | trans | 97.3 | 153.3 | 155.4 | -68.1 | -72.4 | 0 | 0 | 0 | 125 | | |
| 52 | Y | 41.1 | Very low | 41.2 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | | | trans | 66.6 | 131.7 | 168.2 | -63.8 | -74.6 | 0 | 0 | 0 | 120.3 | | |
| 53 | D | 42.4 | Very low | 41 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | | | cis | 111.9 | 150.9 | 0.3 | -163.9 | 38.5 | 0 | 0 | 0 | 118 | K55 | D53-K55 WeakPolarHBondContact OD1-CE 3.47Å; D53-K55 IonicContact OD1-NZ 3.99Å; D53-K55 PolarHBondContact OD1-NZ 3.44Å; D53-K55 IonicContact OD2-NZ 2.72Å; D53-K55 PolarHBondContact OD2-NZ 3.31Å |
| 54 | S | 40.5 | Very low | 40.7 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | 83.9 | 136.2 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 55 | K | 43.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 67% | 0.665 | 75% | 0.746 | S | S | * | * | | | cis | 93.8 | 134 | 28.7 | -60 | 150 | -149.5 | 161.1 | 0 | 112.2 | D53 | D53-K55 WeakPolarHBondContact OD1-CE 3.47Å; D53-K55 IonicContact OD1-NZ 3.99Å; D53-K55 PolarHBondContact OD1-NZ 3.44Å; D53-K55 IonicContact OD2-NZ 2.72Å; D53-K55 PolarHBondContact OD2-NZ 3.31Å |
| 56 | K | 40.8 | Very low | 40.9 | Very low | 155 Ų | 155 | 151.5 Ų | 151.5 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | | | cis | -172.1 | 174.4 | 1.7 | -115.1 | -167.6 | 179.4 | -175.1 | 0 | 111 | | |
| 57 | Y | 40.3 | Very low | 40.8 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | | | trans | 73.2 | 159.4 | 165.1 | -54.5 | -74.7 | 0 | 0 | 0 | 119.1 | | |
| 58 | S | 37 | Very low | 40.8 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | cis | 136.3 | 106.8 | -27.4 | 178.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 59 | Y | 40.5 | Very low | 40.8 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 93% | 0.929 | 74% | 0.744 | S | S | * | * | | | trans | -173.1 | 153.8 | 159.1 | -100.9 | -76.9 | 0 | 0 | 0 | 110.6 | | |
| 60 | G | 38.5 | Very low | 40.9 | Very low | 66 Ų | 66 | 147.4 Ų | 147.4 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | cis | 164.5 | 4.3 | -19.9 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 61 | T | 39.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | -147.2 | 141.2 | -176.2 | 54.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 62 | E | 35.9 | Very low | 41 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | | | trans | -105.7 | 163.9 | 163.1 | -60.3 | 178.4 | 146.4 | 0 | 0 | 110.9 | | |
| 63 | Y | 41.7 | Very low | 40.8 | Very low | 216 Ų | 216 | 147.2 Ų | 147.2 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | | | trans | -149.2 | 140.5 | 165.7 | -88.1 | -79.4 | 0 | 0 | 0 | 112.2 | | |
| 64 | T | 36.2 | Very low | 40.5 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | | | trans | -130.7 | 147.5 | 166.9 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 65 | S | 43 | Very low | 40.6 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -164.7 | 130 | 170.8 | 57.5 | 0 | 0 | 0 | 0 | 111 | | |
| 66 | D | 42.6 | Very low | 40.2 | Very low | 161 Ų | 161 | 148 Ų | 148 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | | | trans | -69.5 | 161.1 | 171.9 | -50.3 | -92.4 | 0 | 0 | 0 | 112.5 | | |
| 67 | D | 45.8 | Very low | 40.1 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | -149.2 | 165.5 | 141.2 | -147.8 | -16.7 | 0 | 0 | 0 | 111.5 | | |
| 68 | S | 42 | Very low | 40 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | | | trans | -147.2 | 134.5 | -141.6 | 61.8 | 0 | 0 | 0 | 0 | 116 | | |
| 69 | S | 40.5 | Very low | 40.1 | Very low | 93 Ų | 93 | 153 Ų | 153 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | 63.7 | 142.5 | 152.4 | 73.2 | 0 | 0 | 0 | 0 | 120 | | |
| 70 | K | 46.1 | Very low | 40 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | | 168.7 | 125.7 | 111.4 | -90.5 | 149.7 | -172.4 | 163.6 | 0 | 114.9 | | |
| 71 | Y | 42.8 | Very low | 39.9 | Very low | 210 Ų | 210 | 154.5 Ų | 154.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | 60.7 | 161.7 | 139.3 | -71.6 | -116.6 | 0 | 0 | 0 | 119.6 | | |
| 72 | T | 40.8 | Very low | 39.9 | Very low | 110 Ų | 110 | 157.9 Ų | 157.9 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | | -169.5 | 166.4 | -65.1 | 27.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 73 | Y | 36.3 | Very low | 40.3 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | | | trans | 80.2 | 150.4 | 154 | -127 | -92.3 | 0 | 0 | 0 | 118 | K75 | Y73-K75 HydrophobicContact CE1-CD 4.29Š|
| 74 | G | 36.9 | Very low | 40.2 | Very low | 56 Ų | 56 | 152.1 Ų | 152.1 | 58% | 0.577 | 76% | 0.761 | S | S | * | * | | | trans | -157.9 | -177.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 75 | K | 42.8 | Very low | 40.6 | Very low | 179 Ų | 179 | 154.8 Ų | 154.8 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | -173.4 | 148.2 | 169.2 | -107.2 | 153.8 | -173.7 | 178.3 | 0 | 112 | Y73 | Y73-K75 HydrophobicContact CE1-CD 4.29Š|
| 76 | N | 33.6 | Very low | 40.5 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | | | trans | -93.4 | 161.7 | 158.8 | -77.4 | -21.8 | 0 | 0 | 0 | 109.9 | | |
| 77 | Y | 39.6 | Very low | 40.4 | Very low | 210 Ų | 210 | 155.6 Ų | 155.6 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | | 160.7 | 127.5 | 128.3 | -88.8 | -66.2 | 0 | 0 | 0 | 113 | | |
| 78 | D | 38 | Very low | 40.4 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 29.3 | 133.5 | 149.1 | -43.3 | -19.2 | 0 | 0 | 0 | 123.4 | | |
| 79 | K | 38.8 | Very low | 40.5 | Very low | 211 Ų | 211 | 158 Ų | 158 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | | | | -164 | 160.5 | 123.7 | -115.4 | 172.8 | -177.5 | 178.2 | 0 | 116.3 | | |
| 80 | Y | 39.2 | Very low | 40.7 | Very low | 230 Ų | 230 | 163.4 Ų | 163.4 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | -94.1 | -171.8 | -175.1 | -88.6 | -104.3 | 0 | 0 | 0 | 114.3 | | |
| 81 | S | 36.4 | Very low | 40.6 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 90.4 | 143.6 | 165.8 | -99.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 82 | Y | 38 | Very low | 40.5 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | cis | -165.7 | 157.7 | -3.2 | -147 | -134 | 0 | 0 | 0 | 111.4 | | |
| 83 | D | 44 | Very low | 40.9 | Very low | 102 Ų | 102 | 159.2 Ų | 159.2 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | | | trans | 54.5 | 152.8 | 157.6 | -74 | 10.1 | 0 | 0 | 0 | 121.2 | | |
| 84 | K | 41.1 | Very low | 41.3 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | | | cis | -167.4 | 141.4 | 45.8 | -147.6 | 164.6 | -170.8 | 173.6 | 0 | 114.2 | | |
| 85 | Y | 44.1 | Very low | 41.7 | Very low | 197 Ų | 197 | 158.9 Ų | 158.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 10.1 | 146 | 147.1 | -59.7 | -106.4 | 0 | 0 | 0 | 119.8 | | |
| 86 | S | 40.4 | Very low | 42 | Very low | 98 Ų | 98 | 157.8 Ų | 157.8 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | cis | -174.1 | -162.7 | 10 | 42.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 87 | Y | 41.2 | Very low | 42.7 | Very low | 198 Ų | 198 | 157.5 Ų | 157.5 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | cis | -160.5 | 175.1 | 13.1 | -146.2 | -80 | 0 | 0 | 0 | 110.3 | | |
| 88 | D | 45.2 | Very low | 43.3 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | trans | -60.9 | 175.3 | -177 | -22.9 | -36.2 | 0 | 0 | 0 | 117.4 | | |
| 89 | K | 44.6 | Very low | 43.6 | Very low | 173 Ų | 173 | 154.9 Ų | 154.9 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | | -175.9 | 122.5 | 61.3 | -162.7 | 176 | -174.4 | 173.7 | 0 | 117.7 | | |
| 90 | Y | 44.5 | Very low | 43.7 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | 52.2 | 148.1 | 148.9 | -64.6 | -136.5 | 0 | 0 | 0 | 120.4 | | |
| 91 | G | 43.1 | Very low | 43.7 | Very low | 66 Ų | 66 | 148 Ų | 148 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | | | cis | 129.4 | 109.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 92 | H | 42.7 | Very low | 43.9 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 72% | 0.717 | S | S | * | * | | | trans | -167 | 163.7 | 151.8 | -135.4 | -88.6 | 0 | 0 | 0 | 114.3 | | |
| 93 | E | 47.9 | Very low | 44.2 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | -125.9 | 175.1 | -166.3 | -48.6 | 173.1 | 136.6 | 0 | 0 | 116.1 | | |
| 94 | K | 45.6 | Very low | 44.1 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | | | trans | 87.1 | 142.8 | 158.9 | -60.8 | 164.2 | -172.4 | 177.9 | 0 | 118.6 | | |
| 95 | G | 44.4 | Very low | 44.2 | Very low | 58 Ų | 58 | 146.6 Ų | 146.6 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | | | cis | 161.4 | 138 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 96 | D | 49.2 | Very low | 44.2 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | | | trans | 62.4 | 161.9 | 146 | -44.9 | -28.8 | 0 | 0 | 0 | 121.2 | | |
| 97 | E | 49.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | cis | -171.7 | 179.7 | -24.7 | -97.6 | -157.8 | 138.2 | 0 | 0 | 107.9 | | |
| 98 | K | 50.9 | Low | 44.6 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 30% | 0.3 | 71% | 0.714 | S | S | . | * | | | cis | -161.7 | 114.3 | -7.8 | -120.9 | 176.6 | -177.8 | 133.1 | 0 | 112.6 | D390 | K98-D390 VanDerWaalsContact CE-O 3.27Å; K98-D390 WeakPolarHBondContact CE-O 3.36Å; K98-D390 PolarHBondContact NZ-O 3.16Å |
| 99 | Y | 45.2 | Very low | 44.5 | Very low | 221 Ų | 221 | 147.4 Ų | 147.4 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | | | trans | 50.9 | -170.4 | 159.5 | -51.9 | -69.4 | 0 | 0 | 0 | 119.7 | | |
| 100 | A | 41.2 | Very low | 44.3 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | | | cis | -164.1 | 179.4 | 1.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 101 | Y | 38 | Very low | 44.2 | Very low | 199 Ų | 199 | 144.6 Ų | 144.6 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | | | cis | -178.7 | 143.9 | -27.3 | 155.3 | -93.1 | 0 | 0 | 0 | 110.6 | K103 | Y101-K103 HydrophobicContact CE1-CD 4.45Å; Y101-K103 HydrophobicContact CE1-CG 4.41Å |
| 102 | G | 41.1 | Very low | 44.4 | Very low | 60 Ų | 60 | 151 Ų | 151 | 62% | 0.619 | 73% | 0.734 | S | S | * | * | | | trans | 142.8 | 171.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 103 | K | 44.9 | Very low | 44.4 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | | | cis | -173.3 | 135.7 | -28.7 | -139.2 | 178.2 | -174.7 | 176.9 | 0 | 111.5 | Y101 | Y101-K103 HydrophobicContact CE1-CD 4.45Å; Y101-K103 HydrophobicContact CE1-CG 4.41Å |
| 104 | N | 41.7 | Very low | 44 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | 67.3 | 166.2 | 169.7 | -49.8 | -26.9 | 0 | 0 | 0 | 116.3 | | |
| 105 | Y | 43.7 | Very low | 44 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 78% | 0.784 | 74% | 0.735 | S | S | * | * | | | cis | -157.7 | 176.4 | 14.3 | 32.1 | -107.5 | 0 | 0 | 0 | 113 | | |
| 106 | E | 43.4 | Very low | 44 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | | | trans | 73.2 | 155.9 | 165.2 | -63.9 | -161.5 | 141.9 | 0 | 0 | 119.4 | | |
| 107 | K | 44 | Very low | 43.6 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | cis | -168.4 | 153.7 | -28.9 | -108.7 | 174.5 | -173.8 | 161.2 | 0 | 109.2 | | |
| 108 | G | 45 | Very low | 43.1 | Very low | 60 Ų | 60 | 151.5 Ų | 151.5 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | | | trans | 121.1 | 98.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 109 | Y | 43.9 | Very low | 42.6 | Very low | 248 Ų | 248 | 159.3 Ų | 159.3 | 97% | 0.973 | 76% | 0.764 | S | S | * | * | | | trans | 71.2 | 156.3 | 141.4 | -61.5 | -75 | 0 | 0 | 0 | 122.6 | | |
| 110 | D | 39.4 | Very low | 42.3 | Very low | 156 Ų | 156 | 152 Ų | 152 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | | | trans | -140.8 | 143 | -162.2 | 163.8 | 35.4 | 0 | 0 | 0 | 110.4 | | |
| 111 | K | 43.9 | Very low | 42.1 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | | | trans | -167.5 | 94.7 | 176.4 | -160.5 | 168.3 | -173.3 | 177.1 | 0 | 117 | | |
| 112 | Y | 46.4 | Very low | 42.3 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | 64.5 | 149.9 | 150.9 | -53.9 | -33.5 | 0 | 0 | 0 | 119.2 | | |
| 113 | A | 42.1 | Very low | 42 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | cis | -165.9 | 144.1 | -17.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 114 | Y | 39.8 | Very low | 41.7 | Very low | 227 Ų | 227 | 159.5 Ų | 159.5 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | trans | 43 | 106.3 | 156.4 | -78.1 | -89.7 | 0 | 0 | 0 | 121 | | |
| 115 | D | 46.2 | Very low | 41.5 | Very low | 163 Ų | 163 | 160.5 Ų | 160.5 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | trans | -92.2 | 161.3 | 145.1 | -167.6 | 10.2 | 0 | 0 | 0 | 110.3 | | |
| 116 | K | 43.5 | Very low | 41.2 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 70% | 0.7 | 77% | 0.771 | S | S | * | * | | | trans | -134.9 | 89.5 | -154.1 | -174 | -173.1 | 168.4 | -173.3 | 0 | 114.4 | | |
| 117 | Y | 42.6 | Very low | 41.2 | Very low | 204 Ų | 204 | 164.5 Ų | 164.5 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | 65.2 | 140.2 | 172.3 | -47.9 | -67.8 | 0 | 0 | 0 | 115.4 | | |
| 118 | G | 38.5 | Very low | 40.9 | Very low | 57 Ų | 57 | 158.4 Ų | 158.4 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | cis | 104.8 | 128 | 5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 119 | Y | 40.2 | Very low | 40.6 | Very low | 233 Ų | 233 | 166.4 Ų | 166.4 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | | | trans | 66.3 | 146.5 | -171 | -50.2 | -86.7 | 0 | 0 | 0 | 115 | | |
| 120 | G | 39.2 | Very low | 40.2 | Very low | 68 Ų | 68 | 161.3 Ų | 161.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | 133 | 129.1 | -18.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 121 | K | 36.9 | Very low | 40 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 81.5 | 124 | 155.3 | -136.1 | -177.2 | -174.7 | -156.3 | 0 | 118.4 | | |
| 122 | Y | 42.2 | Very low | 40.1 | Very low | 200 Ų | 200 | 164.3 Ų | 164.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 65.4 | 156.1 | 175 | -43.3 | -67.3 | 0 | 0 | 0 | 114.9 | | |
| 123 | G | 33.9 | Very low | 39.7 | Very low | 60 Ų | 60 | 158.2 Ų | 158.2 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | cis | 149 | 147.2 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 124 | Y | 39 | Very low | 39.3 | Very low | 240 Ų | 240 | 166 Ų | 166 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | | | trans | 80.2 | 125.5 | -175.9 | -66.6 | -85 | 0 | 0 | 0 | 118.3 | | |
| 125 | D | 38.4 | Very low | 39.5 | Very low | 160 Ų | 160 | 162.9 Ų | 162.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -77.2 | 174 | 154.6 | 177.4 | 29.2 | 0 | 0 | 0 | 110 | | |
| 126 | K | 36.5 | Very low | 39 | Very low | 178 Ų | 178 | 162.2 Ų | 162.2 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | 101.8 | 95.2 | 177.8 | -169 | -173.4 | 179.2 | -179.4 | 0 | 115.3 | | |
| 127 | Y | 44 | Very low | 38.9 | Very low | 248 Ų | 248 | 164.6 Ų | 164.6 | 97% | 0.973 | 79% | 0.785 | S | S | * | * | | | trans | -108.6 | 113 | 148.3 | -88.4 | -76.1 | 0 | 0 | 0 | 110.7 | | |
| 128 | G | 37.5 | Very low | 38.6 | Very low | 52 Ų | 52 | 158.6 Ų | 158.6 | 54% | 0.536 | 79% | 0.785 | S | S | . | * | | | trans | -144.5 | 154.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 129 | Y | 37.6 | Very low | 38.6 | Very low | 227 Ų | 227 | 167.5 Ų | 167.5 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | trans | 76.7 | 105.3 | 179.7 | -69.3 | -85.5 | 0 | 0 | 0 | 118.5 | | |
| 130 | D | 35.5 | Very low | 38.7 | Very low | 142 Ų | 142 | 164.2 Ų | 164.2 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | | 60.9 | 108.5 | 118.8 | -170.2 | 12.5 | 0 | 0 | 0 | 119.7 | | |
| 131 | K | 36.8 | Very low | 38.8 | Very low | 168 Ų | 168 | 169 Ų | 169 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | -153.8 | 152.6 | 132.4 | -141.9 | 165.8 | -172.3 | 170.8 | 0 | 110.9 | | |
| 132 | Y | 44.7 | Very low | 39.3 | Very low | 216 Ų | 216 | 171.6 Ų | 171.6 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | | | trans | 67.1 | 132.7 | -178.6 | -41.5 | -80.9 | 0 | 0 | 0 | 114.2 | | |
| 133 | G | 38.8 | Very low | 39.2 | Very low | 73 Ų | 73 | 165.9 Ų | 165.9 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | cis | -179.9 | 145.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D135 | G133-D135 PolarHBondContact O-N 3.36Š|
| 134 | Y | 34.5 | Very low | 39.4 | Very low | 242 Ų | 242 | 174 Ų | 174 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | | | trans | -65.5 | 131.2 | -177.3 | -85.6 | -105.3 | 0 | 0 | 0 | 112.1 | | |
| 135 | D | 43.6 | Very low | 39.5 | Very low | 163 Ų | 163 | 170.2 Ų | 170.2 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -150.6 | 178.9 | 145.3 | -136.9 | -32.3 | 0 | 0 | 0 | 112.6 | G133 | G133-D135 PolarHBondContact O-N 3.36Š|
| 136 | K | 34.7 | Very low | 39.6 | Very low | 148 Ų | 148 | 169.5 Ų | 169.5 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | | | trans | -126.1 | 130.8 | -140.5 | -159.8 | -173.6 | -178.5 | -178.1 | 0 | 114.4 | | |
| 137 | Y | 42.5 | Very low | 40 | Very low | 212 Ų | 212 | 171.2 Ų | 171.2 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | | | trans | 74.5 | 137.3 | 176.5 | -52.2 | -75.3 | 0 | 0 | 0 | 117.4 | | |
| 138 | G | 36.2 | Very low | 39.8 | Very low | 78 Ų | 78 | 162.9 Ų | 162.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 153.1 | 66.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 139 | Y | 37.9 | Very low | 39.8 | Very low | 243 Ų | 243 | 171.9 Ų | 171.9 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | | | trans | -84.4 | 119.9 | 170.1 | -91.1 | -91.4 | 0 | 0 | 0 | 110.6 | | |
| 140 | D | 42.2 | Very low | 40 | Very low | 165 Ų | 165 | 164.8 Ų | 164.8 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | | | trans | -92.3 | 157.6 | 166.7 | -164.5 | 10 | 0 | 0 | 0 | 111.3 | | |
| 141 | K | 41.6 | Very low | 39.9 | Very low | 169 Ų | 169 | 167.3 Ų | 167.3 | 74% | 0.735 | 82% | 0.822 | S | S | * | * | | | trans | -130.8 | 97.7 | -158.5 | -172.2 | -171.9 | 174.1 | -174.4 | 0 | 113.4 | | |
| 142 | Y | 47.6 | Very low | 40.1 | Very low | 220 Ų | 220 | 170.2 Ų | 170.2 | 86% | 0.863 | 83% | 0.83 | S | S | * | * | | | trans | 73.4 | 129.9 | 160.2 | -70.8 | -124.9 | 0 | 0 | 0 | 116.2 | | |
| 143 | G | 39.4 | Very low | 39.6 | Very low | 79 Ų | 79 | 164 Ų | 164 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | -81.6 | 161.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 144 | Y | 38.1 | Very low | 39.6 | Very low | 230 Ų | 230 | 170.8 Ų | 170.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -88.9 | 139 | 175 | -80.8 | -113.2 | 0 | 0 | 0 | 111.7 | | |
| 145 | D | 40.8 | Very low | 39.7 | Very low | 161 Ų | 161 | 165.3 Ų | 165.3 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -146.6 | 171.2 | 133.6 | -147.7 | -14.5 | 0 | 0 | 0 | 110.7 | | |
| 146 | K | 40.3 | Very low | 39.4 | Very low | 145 Ų | 145 | 163.9 Ų | 163.9 | 63% | 0.63 | 80% | 0.795 | S | S | * | * | | | | -139.8 | 125.4 | -125.3 | -176.2 | 172.4 | 171.8 | -178.1 | 0 | 116 | | |
| 147 | Y | 45.6 | Very low | 39.8 | Very low | 215 Ų | 215 | 166.3 Ų | 166.3 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | 73 | 113.9 | 168.2 | -58.5 | -43.5 | 0 | 0 | 0 | 119.8 | | |
| 148 | G | 38.9 | Very low | 39.5 | Very low | 72 Ų | 72 | 159.4 Ų | 159.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | trans | -120.8 | 124.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 149 | Y | 38.8 | Very low | 39.5 | Very low | 242 Ų | 242 | 166.7 Ų | 166.7 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | | | trans | 16.7 | 127.4 | 167.3 | -75 | -87.8 | 0 | 0 | 0 | 122.8 | | |
| 150 | G | 40.5 | Very low | 39.5 | Very low | 78 Ų | 78 | 161.7 Ų | 161.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -96.3 | 167.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 151 | K | 34.6 | Very low | 39.2 | Very low | 195 Ų | 195 | 161.3 Ų | 161.3 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -115.4 | 117.8 | -161.3 | 165.5 | -162.4 | 171.6 | -175.7 | 0 | 113.3 | | |
| 152 | Y | 40.5 | Very low | 39.3 | Very low | 228 Ų | 228 | 161.9 Ų | 161.9 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | -167.6 | 157.9 | 167.6 | -74.8 | -48.9 | 0 | 0 | 0 | 109 | | |
| 153 | S | 34.8 | Very low | 38.6 | Very low | 85 Ų | 85 | 154.4 Ų | 154.4 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | | | cis | -172 | 142.8 | -23.5 | -109.1 | 0 | 0 | 0 | 0 | 111 | | |
| 154 | Y | 37.7 | Very low | 38.7 | Very low | 217 Ų | 217 | 161.7 Ų | 161.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | 62.8 | 162.4 | 164.7 | -78.5 | -115.2 | 0 | 0 | 0 | 117.2 | | |
| 155 | D | 38 | Very low | 38.6 | Very low | 126 Ų | 126 | 159.8 Ų | 159.8 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | | | cis | -174.7 | 179.8 | -28.2 | -179.2 | 30.1 | 0 | 0 | 0 | 108.7 | | |
| 156 | K | 37.6 | Very low | 38.4 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | | | trans | 93 | 112.2 | 154.1 | -74.8 | -171.7 | 163.4 | -152.4 | 0 | 122.1 | | |
| 157 | Y | 41.9 | Very low | 38.5 | Very low | 200 Ų | 200 | 163.5 Ų | 163.5 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | 67.6 | 143 | 153.1 | -46.2 | -54.5 | 0 | 0 | 0 | 118.1 | | |
| 158 | G | 35.8 | Very low | 37.8 | Very low | 66 Ų | 66 | 156.7 Ų | 156.7 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | | | cis | 165.8 | 167.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 159 | Y | 37.8 | Very low | 37.8 | Very low | 231 Ų | 231 | 163.7 Ų | 163.7 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | 78.1 | 89.8 | 171.6 | -66.7 | -79.7 | 0 | 0 | 0 | 120.2 | | |
| 160 | D | 36.6 | Very low | 37.9 | Very low | 139 Ų | 139 | 159.3 Ų | 159.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -21.6 | 145.8 | 136.6 | 165.4 | 42.1 | 0 | 0 | 0 | 117.2 | Y162 | D160-Y162 PolarHBondContact OD1-N 3.36Š|
| 161 | K | 36.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 165 Ų | 165 | 68% | 0.683 | 77% | 0.773 | S | S | * | * | | | trans | -152.1 | 124.7 | 141.8 | -141.4 | -177.3 | -177.3 | -158.1 | 0 | 113.8 | | |
| 162 | Y | 42.3 | Very low | 38.1 | Very low | 181 Ų | 181 | 166.8 Ų | 166.8 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | trans | 78 | 83.2 | 167.3 | -55.5 | -65.9 | 0 | 0 | 0 | 118.3 | D160 | D160-Y162 PolarHBondContact OD1-N 3.36Š|
| 163 | G | 34.7 | Very low | 38 | Very low | 63 Ų | 63 | 158.8 Ų | 158.8 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -88.3 | 155.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 164 | Y | 39.7 | Very low | 38.2 | Very low | 231 Ų | 231 | 165.2 Ų | 165.2 | 91% | 0.906 | 78% | 0.776 | S | S | * | * | | | trans | -153 | 110.2 | 158.3 | -106.2 | -70.4 | 0 | 0 | 0 | 109.8 | | |
| 165 | E | 36.3 | Very low | 38.3 | Very low | 191 Ų | 191 | 162.2 Ų | 162.2 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -81.5 | 149.5 | 172.5 | -57.2 | 175.3 | 131.3 | 0 | 0 | 110.4 | | |
| 166 | K | 38 | Very low | 38.3 | Very low | 179 Ų | 179 | 165.7 Ų | 165.7 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | | | trans | -151.7 | 99.5 | 161 | -159.2 | 161.1 | -172.9 | 177 | 0 | 114.7 | | |
| 167 | Y | 41.1 | Very low | 38.3 | Very low | 204 Ų | 204 | 162.1 Ų | 162.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | 59.6 | 108.5 | 162 | -57.1 | -50.3 | 0 | 0 | 0 | 119.7 | | |
| 168 | G | 32.4 | Very low | 38.2 | Very low | 72 Ų | 72 | 163 Ų | 163 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -111.6 | 125.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 169 | Y | 38.2 | Very low | 38.5 | Very low | 220 Ų | 220 | 165.3 Ų | 165.3 | 86% | 0.863 | 78% | 0.78 | S | S | * | * | | | trans | -162.6 | 132.6 | 160.4 | -91.1 | -76.3 | 0 | 0 | 0 | 102.9 | | |
| 170 | D | 40.9 | Very low | 38.6 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | | -152.9 | 167 | 67.5 | 41.4 | 16.4 | 0 | 0 | 0 | 114.2 | | |
| 171 | K | 34 | Very low | 39 | Very low | 196 Ų | 196 | 166.8 Ų | 166.8 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -145.2 | 79.4 | -176.2 | -173.7 | -164.9 | 171.5 | -176.9 | 0 | 111.6 | | |
| 172 | Y | 46.2 | Very low | 39.2 | Very low | 233 Ų | 233 | 162.4 Ų | 162.4 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | | | trans | -140.6 | 150.1 | 165.9 | -63.6 | -85.5 | 0 | 0 | 0 | 107.3 | | |
| 173 | G | 36.3 | Very low | 39 | Very low | 60 Ų | 60 | 159.7 Ų | 159.7 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | | | cis | 138 | 129.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 174 | Y | 39.5 | Very low | 39.4 | Very low | 220 Ų | 220 | 164 Ų | 164 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | | | trans | 71.9 | 130 | -160.2 | -66.3 | -92.4 | 0 | 0 | 0 | 114 | | |
| 175 | E | 40.2 | Very low | 39.4 | Very low | 154 Ų | 154 | 161.3 Ų | 161.3 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | cis | 95 | 87.4 | 22.7 | -167 | -165.9 | -116.5 | 0 | 0 | 115 | | |
| 176 | K | 37.4 | Very low | 39.9 | Very low | 199 Ų | 199 | 163.3 Ų | 163.3 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | | -168.7 | 155.6 | 119 | -106.8 | 171.8 | -177.2 | 175.9 | 0 | 111.5 | | |
| 177 | G | 37.8 | Very low | 39.9 | Very low | 58 Ų | 58 | 158.6 Ų | 158.6 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | | | trans | -117.6 | -149.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 178 | Y | 40.2 | Very low | 39.8 | Very low | 220 Ų | 220 | 160.2 Ų | 160.2 | 86% | 0.863 | 80% | 0.798 | S | S | * | * | | | trans | 74.2 | 145.7 | -166.7 | -51.9 | -78.5 | 0 | 0 | 0 | 112.1 | | |
| 179 | D | 42.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 165.3 Ų | 165.3 | 60% | 0.604 | 80% | 0.802 | S | S | * | * | | | cis | -130 | 160.7 | 21.6 | -104.5 | -56.3 | 0 | 0 | 0 | 117 | Y181 | D179-Y181 HydrophobicContact CB-CD2 3.87Å; D179-Y181 HydrophobicContact CB-CE2 3.99Å; D179-Y181 WeakPolarHBondContact OD2-CE2 3.5Å |
| 180 | K | 39.1 | Very low | 40.3 | Very low | 202 Ų | 202 | 162.3 Ų | 162.3 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | -140.6 | 82.6 | 162.1 | -176.4 | -171.4 | 174.2 | -177.9 | 0 | 108.3 | G182 | K180-G182 PolarHBondContact O-N 3.46Š|
| 181 | Y | 44 | Very low | 40.3 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.4 | -176.7 | -92.4 | -80.7 | 0 | 0 | 0 | 112.9 | D179 | D179-Y181 HydrophobicContact CB-CD2 3.87Å; D179-Y181 HydrophobicContact CB-CE2 3.99Å; D179-Y181 WeakPolarHBondContact OD2-CE2 3.5Å |
| 182 | G | 42.2 | Very low | 40.8 | Very low | 65 Ų | 65 | 158.5 Ų | 158.5 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 156.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K180 | K180-G182 PolarHBondContact O-N 3.46Š|
| 183 | S | 37.9 | Very low | 40.5 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.3 | 179.8 | -49 | 0 | 0 | 0 | 0 | 111.9 | | |
| 184 | D | 42.8 | Very low | 40.7 | Very low | 153 Ų | 153 | 160.6 Ų | 160.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -151.4 | 114.8 | 150.3 | -122.6 | -29.8 | 0 | 0 | 0 | 115.1 | | |
| 185 | K | 40.8 | Very low | 41 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | 29.2 | 102.3 | 136.2 | -156 | 176.5 | -174 | 178 | 0 | 120.7 | | |
| 186 | Y | 45.4 | Very low | 40.9 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 91% | 0.91 | 79% | 0.793 | S | S | * | * | | | trans | 57.7 | 105.4 | 149 | -73.6 | -103.5 | 0 | 0 | 0 | 119.4 | | |
| 187 | G | 39.6 | Very low | 41 | Very low | 81 Ų | 81 | 153.2 Ų | 153.2 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -164.2 | 117.1 | 158 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 188 | Y | 38.6 | Very low | 41.1 | Very low | 237 Ų | 237 | 158.4 Ų | 158.4 | 93% | 0.929 | 81% | 0.807 | S | S | * | * | | | trans | -135.8 | 101.1 | -164.7 | -158.9 | -76.8 | 0 | 0 | 0 | 111 | | |
| 189 | E | 41 | Very low | 41.2 | Very low | 179 Ų | 179 | 157.6 Ų | 157.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -156.6 | 155.2 | 154 | -124.7 | -179.9 | 165.4 | 0 | 0 | 115.7 | | |
| 190 | K | 40.3 | Very low | 41.4 | Very low | 157 Ų | 157 | 163.9 Ų | 163.9 | 68% | 0.683 | 83% | 0.825 | S | S | * | * | | | trans | -51.1 | 139.5 | -166 | -68.2 | 155.4 | 172.8 | 166.6 | 0 | 117.2 | Y192 | K190-Y192 HydrophobicContact CD-CE2 4.35Š|
| 191 | G | 40.4 | Very low | 41.6 | Very low | 77 Ų | 77 | 157.4 Ų | 157.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | | | trans | -111 | 145.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 192 | Y | 44.3 | Very low | 41.7 | Very low | 190 Ų | 190 | 156 Ų | 156 | 75% | 0.745 | 82% | 0.821 | S | S | * | * | | | trans | -103.1 | 167.4 | -177.5 | -84.8 | -83.6 | 0 | 0 | 0 | 113.4 | K190 | K190-Y192 HydrophobicContact CD-CE2 4.35Š|
| 193 | D | 39.2 | Very low | 41.8 | Very low | 149 Ų | 149 | 160.4 Ų | 160.4 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -64.1 | 156 | -169.9 | -45.3 | -87.8 | 0 | 0 | 0 | 116 | | |
| 194 | K | 41.5 | Very low | 42.1 | Very low | 187 Ų | 187 | 163.1 Ų | 163.1 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | | | trans | -154.7 | 90.9 | 155.6 | -160.3 | 177.5 | -176.4 | 177.6 | 0 | 114.9 | | |
| 195 | Y | 46.3 | Very low | 42.1 | Very low | 227 Ų | 227 | 159.5 Ų | 159.5 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | 55 | 134.5 | 155.6 | -64 | -113.7 | 0 | 0 | 0 | 118.2 | | |
| 196 | G | 37.9 | Very low | 42.3 | Very low | 69 Ų | 69 | 161.5 Ų | 161.5 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | | | cis | 153.5 | 126.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 197 | S | 38.3 | Very low | 42.1 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -152.2 | 76.7 | -177.3 | -75.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 198 | D | 41 | Very low | 42.2 | Very low | 168 Ų | 168 | 162.9 Ų | 162.9 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | -105.6 | 121.4 | 168.1 | -74 | -53.4 | 0 | 0 | 0 | 110.5 | | |
| 199 | K | 41.7 | Very low | 42.6 | Very low | 202 Ų | 202 | 162.5 Ų | 162.5 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | | | trans | -157.1 | 65 | 164.4 | -145.5 | 173.9 | -174.4 | -180 | 0 | 116.1 | | |
| 200 | Y | 48 | Very low | 42.6 | Very low | 246 Ų | 246 | 157.5 Ų | 157.5 | 97% | 0.965 | 81% | 0.813 | S | S | * | * | | | trans | -134 | 145.6 | 149.2 | -77.4 | -87.6 | 0 | 0 | 0 | 106.7 | | |
| 201 | G | 43.4 | Very low | 42.6 | Very low | 66 Ų | 66 | 155.9 Ų | 155.9 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | | | cis | -156.9 | -174.8 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 202 | D | 45.3 | Very low | 42.7 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | | | trans | -53.1 | 147.9 | -160.3 | -73.7 | -89.5 | 0 | 0 | 0 | 120.1 | | |
| 203 | E | 44.3 | Very low | 42.5 | Very low | 157 Ų | 157 | 160.4 Ų | 160.4 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | | | trans | -80.4 | 117.4 | 170.8 | 170.7 | -157.7 | -112.6 | 0 | 0 | 111.7 | | |
| 204 | K | 45 | Very low | 42.8 | Very low | 181 Ų | 181 | 163.9 Ų | 163.9 | 79% | 0.787 | 83% | 0.834 | S | S | * | * | | | trans | 168.7 | 122.8 | 142.1 | -92.1 | 143.9 | -157.3 | 135.1 | 0 | 112.4 | | |
| 205 | G | 41.7 | Very low | 42.6 | Very low | 76 Ų | 76 | 158.3 Ų | 158.3 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | | | trans | -178 | 94.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 206 | Y | 45.1 | Very low | 42.2 | Very low | 217 Ų | 217 | 158.9 Ų | 158.9 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | -63 | 158 | -168.4 | -71 | -91.5 | 0 | 0 | 0 | 116.7 | | |
| 207 | D | 41.5 | Very low | 42.4 | Very low | 152 Ų | 152 | 163.7 Ų | 163.7 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | | | trans | -43.8 | 142.1 | 174 | -59.5 | -75.8 | 0 | 0 | 0 | 116.5 | | |
| 208 | K | 41.6 | Very low | 42.4 | Very low | 190 Ų | 190 | 166.4 Ų | 166.4 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | | | | -161.5 | 125 | 122.9 | -133 | 166.3 | -178.4 | 173.6 | 0 | 115.2 | | |
| 209 | Y | 47.8 | Very low | 42.5 | Very low | 229 Ų | 229 | 162.1 Ų | 162.1 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | | | trans | 16.8 | 125.2 | 148.7 | -70.2 | -101.3 | 0 | 0 | 0 | 119.8 | | |
| 210 | G | 39.7 | Very low | 42.5 | Very low | 74 Ų | 74 | 162.4 Ų | 162.4 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | | | trans | -150.5 | 12.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 211 | S | 41.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | 67.4 | 124.5 | 170.2 | -54.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 212 | D | 41 | Very low | 41.9 | Very low | 156 Ų | 156 | 163.3 Ų | 163.3 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | -66.8 | 152.1 | 164.7 | -50.4 | -88.9 | 0 | 0 | 0 | 113.2 | | |
| 213 | K | 40.5 | Very low | 41.8 | Very low | 206 Ų | 206 | 164.9 Ų | 164.9 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | trans | -151.4 | 134.1 | 142.3 | -156.8 | 168.8 | -177.7 | 177.3 | 0 | 113.1 | | |
| 214 | Y | 46 | Very low | 41.6 | Very low | 222 Ų | 222 | 161.1 Ų | 161.1 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | | | trans | -67.7 | 130.9 | -179 | -83.6 | -112.6 | 0 | 0 | 0 | 113.7 | | |
| 215 | G | 36.8 | Very low | 41.5 | Very low | 70 Ų | 70 | 158 Ų | 158 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | | | trans | 39.1 | 137.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 216 | Y | 38.5 | Very low | 41.6 | Very low | 239 Ų | 239 | 160.8 Ų | 160.8 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | | -153.6 | 153.6 | 123.1 | -134.3 | -103.2 | 0 | 0 | 0 | 111.2 | | |
| 217 | E | 41.3 | Very low | 41.3 | Very low | 171 Ų | 171 | 160 Ų | 160 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -108.9 | 168.7 | 176.4 | -162.6 | 177.2 | -141.5 | 0 | 0 | 110.2 | | |
| 218 | K | 39.3 | Very low | 41.4 | Very low | 178 Ų | 178 | 162.7 Ų | 162.7 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | | | trans | 71.5 | 104.4 | -174.9 | -69 | -179.9 | 171.2 | 175.6 | 0 | 117.2 | | |
| 219 | G | 41.9 | Very low | 41.3 | Very low | 78 Ų | 78 | 157.7 Ų | 157.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 157.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 220 | Y | 41.6 | Very low | 40.9 | Very low | 208 Ų | 208 | 156 Ų | 156 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 161.8 | -168.5 | -83.1 | -101.8 | 0 | 0 | 0 | 114.8 | | |
| 221 | D | 37.3 | Very low | 40.9 | Very low | 151 Ų | 151 | 161 Ų | 161 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 158.2 | -178.2 | -45.8 | -86.5 | 0 | 0 | 0 | 115.2 | | |
| 222 | K | 41.6 | Very low | 41 | Very low | 180 Ų | 180 | 162.3 Ų | 162.3 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | -158.1 | 124.4 | 153.1 | -116.3 | -175.8 | -179.5 | 178.1 | 0 | 113.6 | | |
| 223 | Y | 43.9 | Very low | 40.9 | Very low | 204 Ų | 204 | 157.8 Ų | 157.8 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | 59.5 | 95.4 | 164 | -65.9 | -78.6 | 0 | 0 | 0 | 119.7 | | |
| 224 | G | 41.1 | Very low | 41.2 | Very low | 78 Ų | 78 | 157.2 Ų | 157.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -115.6 | 135.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 225 | S | 42.6 | Very low | 41.1 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -90.2 | 150.6 | -169.8 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 226 | D | 43.6 | Very low | 41.1 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -65.9 | 154.2 | -175.5 | -46.5 | -96.7 | 0 | 0 | 0 | 115.1 | | |
| 227 | K | 38.7 | Very low | 41.4 | Very low | 200 Ų | 200 | 158.2 Ų | 158.2 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | | -163.8 | 91.4 | 111.3 | -160.5 | 163.7 | -175.2 | 175.1 | 0 | 114.8 | | |
| 228 | Y | 43.8 | Very low | 41.3 | Very low | 209 Ų | 209 | 153 Ų | 153 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | | | trans | 33.4 | 125.1 | 146.6 | -75 | -90 | 0 | 0 | 0 | 122.6 | | |
| 229 | G | 39.4 | Very low | 41.5 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -165.7 | 89.1 | 154 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 230 | Y | 40.1 | Very low | 41.6 | Very low | 195 Ų | 195 | 152 Ų | 152 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -106.2 | 145.4 | -175.8 | -169.2 | -91.5 | 0 | 0 | 0 | 111.8 | K232 | Y230-K232 HydrophobicContact CE1-CB 4.47Å; Y230-K232 HydrophobicContact CE1-CD 4.37Å |
| 231 | E | 39.7 | Very low | 41.7 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -115 | 130.6 | -172.2 | 177.8 | -178.2 | -127.9 | 0 | 0 | 111.3 | | |
| 232 | K | 42.5 | Very low | 42 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | -168 | 140.7 | 158.1 | -121.6 | 169.4 | -174.6 | 169 | 0 | 112.4 | Y230 Y234 | Y230-K232 HydrophobicContact CE1-CB 4.47Å; Y230-K232 HydrophobicContact CE1-CD 4.37Å; K232-Y234 HydrophobicContact CD-CE2 4.4Å; K232-Y234 HydrophobicContact CG-CE2 4.41Å |
| 233 | G | 39.5 | Very low | 41.9 | Very low | 61 Ų | 61 | 148.1 Ų | 148.1 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -142.2 | 165.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 234 | Y | 45 | Very low | 41.8 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | -148.4 | 156.2 | 171 | -82 | -70.7 | 0 | 0 | 0 | 112.2 | K232 | K232-Y234 HydrophobicContact CD-CE2 4.4Å; K232-Y234 HydrophobicContact CG-CE2 4.41Å |
| 235 | D | 44.4 | Very low | 42 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | trans | -38.5 | 152 | -177.4 | -49.9 | -63.9 | 0 | 0 | 0 | 117.5 | | |
| 236 | K | 37.5 | Very low | 42 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | cis | 86.1 | 72.9 | 27.8 | -163.4 | -153.5 | 171.8 | -178.6 | 0 | 116.7 | | |
| 237 | Y | 45.5 | Very low | 42 | Very low | 235 Ų | 235 | 150.2 Ų | 150.2 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | | | trans | -156.1 | 151.2 | 148.3 | -82.1 | -80.3 | 0 | 0 | 0 | 108.3 | | |
| 238 | G | 39.4 | Very low | 42.4 | Very low | 63 Ų | 63 | 151.1 Ų | 151.1 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | | | cis | 151.9 | 100.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 239 | S | 42.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | 66.7 | 163.4 | 172.3 | -48.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 240 | D | 43.6 | Very low | 42.9 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | cis | -158.6 | 158.9 | -6 | -130.9 | 21.9 | 0 | 0 | 0 | 111.5 | | |
| 241 | K | 42.8 | Very low | 43.3 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | trans | 64.2 | 123.7 | 142.5 | -73.4 | 174.9 | 179.9 | 152.2 | 0 | 125.9 | | |
| 242 | Y | 44 | Very low | 43.5 | Very low | 226 Ų | 226 | 143.9 Ų | 143.9 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | | | trans | 60.1 | 148.9 | 134.9 | -69.5 | -72.2 | 0 | 0 | 0 | 123.7 | | |
| 243 | G | 40.3 | Very low | 43.6 | Very low | 73 Ų | 73 | 146 Ų | 146 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | trans | 104.4 | 97.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 244 | D | 40.8 | Very low | 44 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | | | cis | 93 | 143.5 | 33.1 | -148.3 | -3.8 | 0 | 0 | 0 | 114.6 | | |
| 245 | E | 45.7 | Very low | 44.1 | Very low | 135 Ų | 135 | 146 Ų | 146 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | trans | 69.6 | 131.6 | 172.4 | -60.5 | -151.7 | 124.6 | 0 | 0 | 124.6 | | |
| 246 | K | 43.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 149.9 Ų | 149.9 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | | | trans | 64.1 | 125.3 | 143.4 | -64.3 | 158.7 | -170.6 | 155.3 | 0 | 120 | | |
| 247 | V | 43.3 | Very low | 44.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | cis | 83.2 | 113.4 | 37 | 179.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 248 | Y | 46 | Very low | 44.6 | Very low | 219 Ų | 219 | 138.7 Ų | 138.7 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | | | trans | -166.5 | 113 | 143.2 | -98.1 | -76 | 0 | 0 | 0 | 108.1 | | |
| 249 | D | 48.4 | Very low | 45.1 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 60% | 0.599 | 73% | 0.728 | S | S | * | * | | | | 84.6 | 138.2 | 105.4 | -156 | 42.8 | 0 | 0 | 0 | 113 | | |
| 250 | K | 46.3 | Very low | 45.2 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 63% | 0.63 | 72% | 0.716 | S | S | * | * | | | cis | -161.3 | 130.8 | 31.6 | -166.6 | 175.6 | -145.9 | 85.2 | 0 | 115.3 | | |
| 251 | Y | 48 | Very low | 45.4 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | | | trans | 51.1 | 137.3 | 166.7 | -61.1 | -49.3 | 0 | 0 | 0 | 121.7 | Y253 | Y251-Y253 HydrophobicContact CD1-CE2 4.3Š|
| 252 | G | 43.7 | Very low | 45.4 | Very low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | cis | 165.7 | 155.4 | -12 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 253 | Y | 44.4 | Very low | 45.4 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 64 | 145.6 | 162.7 | -55.9 | -79.7 | 0 | 0 | 0 | 118.7 | Y251 | Y251-Y253 HydrophobicContact CD1-CE2 4.3Š|
| 254 | D | 48.8 | Very low | 45.6 | Very low | 119 Ų | 119 | 146 Ų | 146 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | cis | -168.5 | 167.4 | -15.5 | -116.9 | 20 | 0 | 0 | 0 | 107.1 | | |
| 255 | K | 47 | Very low | 45.7 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 60% | 0.596 | 73% | 0.726 | S | S | * | * | | | cis | 174.7 | 163.1 | -20 | 171.2 | -178.6 | 173.7 | -173.1 | 0 | 110.5 | | |
| 256 | Y | 51.3 | Low | 45.6 | Very low | 212 Ų | 212 | 145 Ų | 145 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | | | trans | 70.2 | 139.9 | -178.6 | -60.6 | -72.1 | 0 | 0 | 0 | 116 | | |
| 257 | G | 42.3 | Very low | 45.7 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | cis | -162.3 | 163.5 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 258 | S | 44.7 | Very low | 45.6 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -113.5 | -170.7 | -163.7 | -48.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 259 | D | 49.4 | Very low | 45.5 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | trans | 85.5 | 144.6 | 151.5 | -79.9 | 24.2 | 0 | 0 | 0 | 119.1 | | |
| 260 | K | 45.5 | Very low | 45.1 | Very low | 131 Ų | 131 | 152.7 Ų | 152.7 | 57% | 0.57 | 75% | 0.746 | S | S | * | * | | | cis | -176.7 | 177.3 | -7.4 | 175.1 | 171 | 168.1 | -164.4 | 0 | 111.9 | | |
| 261 | Y | 47.6 | Very low | 44.8 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | 80.4 | 145.4 | 167.7 | -48.5 | -78 | 0 | 0 | 0 | 117.5 | | |
| 262 | G | 41.6 | Very low | 44.1 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | cis | 167 | 113.7 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 263 | Y | 44.7 | Very low | 43.7 | Very low | 206 Ų | 206 | 154.8 Ų | 154.8 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | 49.2 | 126.4 | 146.4 | -101.3 | -115 | 0 | 0 | 0 | 125.4 | | |
| 264 | E | 44.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | 57.9 | 124.1 | 136.8 | -76.4 | -172.8 | 159 | 0 | 0 | 126.8 | | |
| 265 | K | 43.2 | Very low | 42.7 | Very low | 211 Ų | 211 | 155.7 Ų | 155.7 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -176.4 | 145.3 | 131.3 | -102.9 | 174.3 | -178.9 | 175.3 | 0 | 109.4 | | |
| 266 | G | 44 | Very low | 42.3 | Very low | 60 Ų | 60 | 152.6 Ų | 152.6 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | | | cis | 163.7 | 141.1 | -13.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 267 | Y | 44.7 | Very low | 41.8 | Very low | 235 Ų | 235 | 151.7 Ų | 151.7 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | | | trans | 79.1 | 127.9 | 162.8 | -60 | -81 | 0 | 0 | 0 | 122.4 | | |
| 268 | D | 41.4 | Very low | 41.7 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -100.3 | 144 | 155.4 | 149.9 | 46.5 | 0 | 0 | 0 | 109.2 | | |
| 269 | K | 43.4 | Very low | 41.4 | Very low | 183 Ų | 183 | 159.8 Ų | 159.8 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | | | trans | -162.8 | 111.7 | 159.8 | -152.2 | 175.6 | -177.6 | 178.8 | 0 | 115.1 | | |
| 270 | Y | 41.2 | Very low | 41.2 | Very low | 216 Ų | 216 | 163.8 Ų | 163.8 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | | | trans | 34.4 | 134 | 143.6 | -66.4 | -115.4 | 0 | 0 | 0 | 121.2 | | |
| 271 | G | 38.9 | Very low | 40.8 | Very low | 80 Ų | 80 | 160.9 Ų | 160.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | 175.2 | 123.6 | 155 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 272 | Y | 33.6 | Very low | 40.2 | Very low | 237 Ų | 237 | 162 Ų | 162 | 93% | 0.929 | 79% | 0.787 | S | S | * | * | | | trans | -92.4 | 172 | 171.4 | -100.7 | -109.3 | 0 | 0 | 0 | 112 | | |
| 273 | D | 35.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 166.2 Ų | 166.2 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | | | trans | 83.6 | 99.4 | 150.7 | -142.4 | -115.4 | 0 | 0 | 0 | 120.6 | | |
| 274 | K | 33.3 | Very low | 39.6 | Very low | 141 Ų | 141 | 162.8 Ų | 162.8 | 61% | 0.613 | 78% | 0.782 | S | S | * | * | | | | 72.9 | 143.9 | 114.1 | -152.9 | -174.5 | -174.9 | -174.7 | 0 | 122.2 | | |
| 275 | Y | 39.1 | Very low | 39.2 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | 77.6 | 148.9 | 170.1 | -62.7 | -65.7 | 0 | 0 | 0 | 120 | | |
| 276 | G | 39.8 | Very low | 38.7 | Very low | 71 Ų | 71 | 158.5 Ų | 158.5 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | 102.8 | 47.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 277 | Y | 40.2 | Very low | 38.2 | Very low | 193 Ų | 193 | 167.1 Ų | 167.1 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | | 58.8 | 112.9 | 82 | -104 | -89.2 | 0 | 0 | 0 | 117.1 | | |
| 278 | E | 40.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 164.8 Ų | 164.8 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | 58.1 | 125.5 | 152.1 | -73.6 | 171.2 | -165.8 | 0 | 0 | 123.2 | | |
| 279 | K | 38.7 | Very low | 37.5 | Very low | 188 Ų | 188 | 165.8 Ų | 165.8 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | trans | -147.5 | 78 | 143.8 | -165.6 | 170.4 | -178.6 | 176.4 | 0 | 113.4 | | |
| 280 | Y | 45.9 | Very low | 37.2 | Very low | 222 Ų | 222 | 166.4 Ų | 166.4 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | trans | 61.6 | 144.1 | 166 | -55.2 | -83.7 | 0 | 0 | 0 | 118.7 | | |
| 281 | G | 35.7 | Very low | 37 | Very low | 69 Ų | 69 | 159.9 Ų | 159.9 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | -161.2 | 141 | -2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 282 | Y | 34.6 | Very low | 36.9 | Very low | 224 Ų | 224 | 165.6 Ų | 165.6 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -84.8 | 151.6 | 156.6 | -81.4 | -101.6 | 0 | 0 | 0 | 108.8 | | |
| 283 | D | 41.1 | Very low | 37.3 | Very low | 162 Ų | 162 | 162 Ų | 162 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | | -140.6 | 161.7 | 114 | -149.1 | -9.3 | 0 | 0 | 0 | 110.5 | | |
| 284 | K | 33.3 | Very low | 37.3 | Very low | 133 Ų | 133 | 162.1 Ų | 162.1 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | | | trans | -142 | 140.4 | -173.7 | 169.7 | -173.9 | 171.6 | -174.4 | 0 | 107.2 | | |
| 285 | Y | 36.6 | Very low | 37.8 | Very low | 211 Ų | 211 | 165.1 Ų | 165.1 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | trans | 91.7 | 109.2 | -172.4 | -53.3 | -65 | 0 | 0 | 0 | 114.4 | | |
| 286 | G | 32.9 | Very low | 37.7 | Very low | 72 Ų | 72 | 159.1 Ų | 159.1 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | trans | -170.5 | 98.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | E288 | G286-E288 PolarHBondContact O-N 3.45Š|
| 287 | Y | 33.4 | Very low | 37.7 | Very low | 241 Ų | 241 | 166 Ų | 166 | 95% | 0.945 | 79% | 0.786 | S | S | * | * | | | trans | -92.2 | 89.6 | 177.9 | -104.8 | -94.6 | 0 | 0 | 0 | 109.8 | | |
| 288 | E | 36.7 | Very low | 37.7 | Very low | 185 Ų | 185 | 163.8 Ų | 163.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -125.7 | 118 | 172.9 | -60.5 | -173.3 | 147 | 0 | 0 | 107.3 | G286 | G286-E288 PolarHBondContact O-N 3.45Š|
| 289 | K | 33.2 | Very low | 37.4 | Very low | 165 Ų | 165 | 165.1 Ų | 165.1 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | cis | 77.8 | 99.1 | 29.4 | -152.9 | -166.3 | -178.3 | -171.4 | 0 | 113.5 | | |
| 290 | Y | 38.1 | Very low | 37.4 | Very low | 196 Ų | 196 | 167.2 Ų | 167.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | 80.3 | 120.1 | -177.3 | -57.4 | -71.8 | 0 | 0 | 0 | 116 | | |
| 291 | G | 36.6 | Very low | 37 | Very low | 79 Ų | 79 | 160.1 Ų | 160.1 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | -175.8 | 65.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 292 | Y | 36.7 | Very low | 37 | Very low | 201 Ų | 201 | 167.4 Ų | 167.4 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | | | trans | -31 | 136.6 | -173.3 | -75.9 | -100.8 | 0 | 0 | 0 | 117.6 | | |
| 293 | D | 41.7 | Very low | 37.4 | Very low | 162 Ų | 162 | 163.9 Ų | 163.9 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | | -128 | 165.9 | 123.3 | -153.7 | -8.2 | 0 | 0 | 0 | 109.5 | | |
| 294 | K | 36.1 | Very low | 37.1 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 56% | 0.561 | 78% | 0.783 | S | S | * | * | | | trans | -140 | 138.3 | -151 | -166.1 | -171.3 | 179.5 | -162.3 | 0 | 112.2 | | |
| 295 | Y | 43.1 | Very low | 37.4 | Very low | 204 Ų | 204 | 166.5 Ų | 166.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | 75.1 | 122.6 | -178 | -50.7 | -78.8 | 0 | 0 | 0 | 115.3 | | |
| 296 | G | 36.8 | Very low | 37.4 | Very low | 68 Ų | 68 | 159.4 Ų | 159.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 168.5 | 57 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 297 | Y | 41.5 | Very low | 37.8 | Very low | 216 Ų | 216 | 166.9 Ų | 166.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | 66.9 | 128.8 | 162.7 | -73.8 | -88.5 | 0 | 0 | 0 | 122.3 | | |
| 298 | D | 40.1 | Very low | 38.1 | Very low | 145 Ų | 145 | 163.8 Ų | 163.8 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | 45.5 | 108.6 | 147 | -60.4 | -20.5 | 0 | 0 | 0 | 123.1 | | |
| 299 | K | 31.9 | Very low | 37.9 | Very low | 195 Ų | 195 | 164.4 Ų | 164.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -147.3 | 71.8 | 142.1 | -166 | -175.2 | 176 | 176.4 | 0 | 112.7 | | |
| 300 | Y | 39 | Very low | 38.3 | Very low | 232 Ų | 232 | 165.3 Ų | 165.3 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | | | trans | -146.1 | 96.1 | 157.9 | -88.6 | -69.1 | 0 | 0 | 0 | 111 | | |
| 301 | G | 38.4 | Very low | 38.1 | Very low | 74 Ų | 74 | 159.5 Ų | 159.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -149.5 | 122.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 302 | Y | 36.1 | Very low | 38.2 | Very low | 222 Ų | 222 | 164.9 Ų | 164.9 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | | | trans | -84.1 | 131.8 | 178.9 | -85.2 | -112.7 | 0 | 0 | 0 | 110.2 | | |
| 303 | D | 43 | Very low | 38.5 | Very low | 149 Ų | 149 | 163.3 Ų | 163.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -127.2 | 143.3 | 148.1 | -164 | -22.9 | 0 | 0 | 0 | 107.7 | | |
| 304 | K | 35 | Very low | 38.4 | Very low | 149 Ų | 149 | 165 Ų | 165 | 65% | 0.648 | 79% | 0.787 | S | S | * | * | | | trans | -153.1 | 115.6 | -176.4 | -170.7 | -164.6 | -179.3 | -166.9 | 0 | 108.8 | | |
| 305 | Y | 39.4 | Very low | 38.7 | Very low | 201 Ų | 201 | 169.9 Ų | 169.9 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | 80.6 | 101.6 | -177 | -51.4 | -69.9 | 0 | 0 | 0 | 115.9 | | |
| 306 | G | 36.8 | Very low | 38.5 | Very low | 63 Ų | 63 | 163.4 Ų | 163.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | -149.7 | 100.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 307 | Y | 40.3 | Very low | 38.6 | Very low | 228 Ų | 228 | 168.3 Ų | 168.3 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | 61.5 | 97.5 | 161 | -62 | -79.4 | 0 | 0 | 0 | 119.9 | | |
| 308 | E | 38.9 | Very low | 38.7 | Very low | 176 Ų | 176 | 166.4 Ų | 166.4 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | | | trans | -77.7 | 141.9 | 152.6 | -64.7 | 179.9 | 104 | 0 | 0 | 111.6 | | |
| 309 | K | 33.5 | Very low | 38.7 | Very low | 199 Ų | 199 | 168.1 Ų | 168.1 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | 42.9 | 85.1 | 134.5 | -165.6 | -175.5 | -179.5 | -178.9 | 0 | 118 | | |
| 310 | Y | 42 | Very low | 39.3 | Very low | 184 Ų | 184 | 169.8 Ų | 169.8 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | -115.2 | 110.4 | 151.7 | -88.7 | -84.1 | 0 | 0 | 0 | 110.9 | Y312 | Y310-Y312 HydrophobicContact CD1-CD2 4.1Å; Y310-Y312 AromaticContact CD1-CE2 3.36Å; Y310-Y312 HydrophobicContact CD1-CE2 3.36Å; Y310-Y312 AromaticContact CD1-CZ 3.92Å; Y310-Y312 HydrophobicContact CE1-CE2 4.07Å; Y310-Y312 HydrophobicContact CG-CE2 4.03Å |
| 311 | G | 33.3 | Very low | 39.3 | Very low | 73 Ų | 73 | 162.5 Ų | 162.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | -93 | 129.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 312 | Y | 39.1 | Very low | 39.4 | Very low | 193 Ų | 193 | 169.8 Ų | 169.8 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | | | trans | -121.8 | 97.7 | 175.3 | -91.7 | -75.2 | 0 | 0 | 0 | 109.7 | Y310 | Y310-Y312 HydrophobicContact CD1-CD2 4.1Å; Y310-Y312 AromaticContact CD1-CE2 3.36Å; Y310-Y312 HydrophobicContact CD1-CE2 3.36Å; Y310-Y312 AromaticContact CD1-CZ 3.92Å; Y310-Y312 HydrophobicContact CE1-CE2 4.07Å; Y310-Y312 HydrophobicContact CG-CE2 4.03Å |
| 313 | D | 42.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 166.6 Ų | 166.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -68.3 | 135.3 | 168.9 | -74.1 | -44.4 | 0 | 0 | 0 | 110.3 | Y315 | D313-Y315 PolarHBondContact O-N 3.15Š|
| 314 | K | 40.4 | Very low | 39.5 | Very low | 198 Ų | 198 | 169 Ų | 169 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -91.4 | 99.1 | -168.1 | -175.4 | -177.6 | 176.3 | -176.6 | 0 | 111.6 | | |
| 315 | Y | 40.6 | Very low | 40 | Very low | 231 Ų | 231 | 173.5 Ų | 173.5 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | | | trans | 30.2 | 99.3 | 153.6 | -71.4 | -87.4 | 0 | 0 | 0 | 117.4 | D313 | D313-Y315 PolarHBondContact O-N 3.15Š|
| 316 | G | 40.2 | Very low | 40 | Very low | 69 Ų | 69 | 167.6 Ų | 167.6 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | | | trans | -160.7 | 94.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 317 | N | 38.2 | Very low | 40.4 | Very low | 170 Ų | 170 | 172.3 Ų | 172.3 | 91% | 0.909 | 84% | 0.839 | S | S | * | * | | | trans | -172 | 123 | 149.6 | -106.6 | -64 | 0 | 0 | 0 | 109.8 | | |
| 318 | E | 44.6 | Very low | 40.7 | Very low | 177 Ų | 177 | 168.2 Ų | 168.2 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | | | trans | -106.7 | 163.1 | 169 | -61.1 | -174.2 | 120.4 | 0 | 0 | 110 | | |
| 319 | K | 40.1 | Very low | 41.1 | Very low | 180 Ų | 180 | 168.2 Ų | 168.2 | 78% | 0.783 | 83% | 0.83 | S | S | * | * | | | trans | 80.4 | 96.7 | 142.2 | -148 | 171 | -168.9 | 169.3 | 0 | 119.6 | | |
| 320 | Y | 44 | Very low | 41.6 | Very low | 230 Ų | 230 | 168 Ų | 168 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | | | trans | 45 | 123.9 | 136.1 | -71.3 | -90.2 | 0 | 0 | 0 | 121 | | |
| 321 | G | 39.6 | Very low | 41.6 | Very low | 79 Ų | 79 | 162.7 Ų | 162.7 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | | | trans | -170.4 | 50.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 322 | Y | 39 | Very low | 42.2 | Very low | 228 Ų | 228 | 168.9 Ų | 168.9 | 89% | 0.894 | 84% | 0.842 | S | S | * | * | | | trans | -90.8 | 116 | 168 | -90.6 | -88.3 | 0 | 0 | 0 | 110 | | |
| 323 | D | 43 | Very low | 42.4 | Very low | 154 Ų | 154 | 162.7 Ų | 162.7 | 82% | 0.824 | 84% | 0.837 | S | S | * | * | | | trans | 174.2 | 102.4 | 137.4 | 51.8 | -4.2 | 0 | 0 | 0 | 115.1 | | |
| 324 | K | 38 | Very low | 42.5 | Very low | 201 Ų | 201 | 162 Ų | 162 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -160.4 | 77.1 | 143 | -143.9 | 169.5 | -172.3 | 173.7 | 0 | 115.4 | | |
| 325 | Y | 45.5 | Very low | 42.8 | Very low | 242 Ų | 242 | 160 Ų | 160 | 95% | 0.949 | 83% | 0.825 | S | S | * | * | | | trans | -125.8 | 118.2 | 144 | -92.2 | -82.9 | 0 | 0 | 0 | 107.6 | | |
| 326 | G | 39.2 | Very low | 42.9 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -97.6 | 120.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 327 | D | 46.3 | Very low | 43 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | -142.6 | 151.2 | 156.2 | -149.2 | -26.5 | 0 | 0 | 0 | 107.9 | | |
| 328 | D | 46.1 | Very low | 43.3 | Very low | 142 Ų | 142 | 164.1 Ų | 164.1 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | | | trans | -92.6 | 154.9 | -158.2 | -92 | -48.3 | 0 | 0 | 0 | 114.7 | | |
| 329 | K | 47.9 | Very low | 43.1 | Very low | 176 Ų | 176 | 165.5 Ų | 165.5 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | | | trans | 96.9 | 133 | 160.8 | -53.7 | 147.3 | -171.1 | 161.3 | 0 | 118.5 | | |
| 330 | H | 44.2 | Very low | 43.1 | Very low | 194 Ų | 194 | 160.4 Ų | 160.4 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | | | trans | 77.7 | 144 | 167.9 | -47.1 | 106.7 | 0 | 0 | 0 | 116.8 | | |
| 331 | G | 41.6 | Very low | 42.9 | Very low | 72 Ų | 72 | 159.2 Ų | 159.2 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -167 | -153.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 332 | H | 45.5 | Very low | 42.9 | Very low | 203 Ų | 203 | 161.8 Ų | 161.8 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | | | trans | 80.2 | 91.4 | -174.5 | -79.9 | -74.9 | 0 | 0 | 0 | 118.5 | | |
| 333 | G | 44.1 | Very low | 43.3 | Very low | 63 Ų | 63 | 159.8 Ų | 159.8 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | -147.3 | 114.5 | 138.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 334 | K | 45.3 | Very low | 43.4 | Very low | 154 Ų | 154 | 160.5 Ų | 160.5 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | | 55.3 | 120.2 | 87.2 | -62.3 | -176.3 | -179.3 | 179.8 | 0 | 110.4 | Y336 | K334-Y336 HydrophobicContact CG-CE1 3.94Š|
| 335 | D | 46 | Very low | 43.5 | Very low | 156 Ų | 156 | 160.8 Ų | 160.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | cis | -127.6 | 176.5 | 38.6 | -62 | -49.7 | 0 | 0 | 0 | 116.2 | | |
| 336 | Y | 42.3 | Very low | 43.3 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 66% | 0.659 | 80% | 0.799 | S | S | * | * | | | trans | -152.5 | 138.8 | -175.8 | 29.8 | -104 | 0 | 0 | 0 | 110.8 | K334 | K334-Y336 HydrophobicContact CG-CE1 3.94Š|
| 337 | E | 42.5 | Very low | 43.7 | Very low | 176 Ų | 176 | 159.4 Ų | 159.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | 168.4 | 101.6 | 137.6 | -97.6 | -176 | -167.6 | 0 | 0 | 112.4 | | |
| 338 | K | 44.5 | Very low | 43.4 | Very low | 211 Ų | 211 | 159.1 Ų | 159.1 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | | | trans | -155.6 | 135.6 | 143.8 | -147.8 | 162.3 | -174.3 | 171.6 | 0 | 110.7 | | |
| 339 | Y | 41.5 | Very low | 43 | Very low | 206 Ų | 206 | 161.5 Ų | 161.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | trans | -67.1 | 136.2 | -163.5 | -80.3 | -108 | 0 | 0 | 0 | 114.8 | Y341 | Y339-Y341 HydrophobicContact CD1-CE2 4.43Š|
| 340 | G | 40 | Very low | 43 | Very low | 74 Ų | 74 | 162.4 Ų | 162.4 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | -166.2 | 107.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 341 | Y | 39.8 | Very low | 43.2 | Very low | 205 Ų | 205 | 160.9 Ų | 160.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 138.1 | -175.2 | -91.9 | -111.2 | 0 | 0 | 0 | 112.8 | Y339 | Y339-Y341 HydrophobicContact CD1-CE2 4.43Š|
| 342 | T | 39.1 | Very low | 43.2 | Very low | 133 Ų | 133 | 166.7 Ų | 166.7 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | | 171 | 163 | 123.2 | 32.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 343 | K | 46.3 | Very low | 43 | Very low | 186 Ų | 186 | 166.5 Ų | 166.5 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | 65.5 | 91.3 | -177.6 | -60.5 | -176.7 | 178.6 | -179.7 | 0 | 114.2 | | |
| 344 | E | 45 | Very low | 43 | Very low | 169 Ų | 169 | 172.8 Ų | 172.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | | 75.8 | 120 | 70.2 | -69 | -169.5 | 107 | 0 | 0 | 115.6 | | |
| 345 | Y | 40 | Very low | 43 | Very low | 206 Ų | 206 | 172.7 Ų | 172.7 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | 43.2 | 90.3 | 152.9 | -70 | -82.2 | 0 | 0 | 0 | 119.7 | | |
| 346 | S | 41.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 173.4 Ų | 173.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | | -148.1 | 137.7 | 119.4 | -160.5 | 0 | 0 | 0 | 0 | 114.2 | N348 | S346-N348 PolarHBondContact O-N 3.4Š|
| 347 | K | 48 | Very low | 42.8 | Very low | 167 Ų | 167 | 172.7 Ų | 172.7 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | | | trans | -69.9 | 118.4 | -167.9 | -70.3 | 155.3 | 173.7 | 172.9 | 0 | 113.2 | Y349 | K347-Y349 PolarHBondContact O-N 3.49Š|
| 348 | N | 41.4 | Very low | 43.1 | Very low | 157 Ų | 157 | 171.4 Ų | 171.4 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -9.8 | 106.8 | 132 | -176.8 | 11 | 0 | 0 | 0 | 114.8 | S346 | S346-N348 PolarHBondContact O-N 3.4Š|
| 349 | Y | 36.8 | Very low | 43.1 | Very low | 191 Ų | 191 | 170.2 Ų | 170.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -161 | 108.7 | 166.1 | -111.3 | -79.8 | 0 | 0 | 0 | 109.4 | K347 | K347-Y349 PolarHBondContact O-N 3.49Š|
| 350 | K | 48.5 | Very low | 43.3 | Very low | 195 Ų | 195 | 168.6 Ų | 168.6 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -158.1 | -25 | 164.6 | -123.7 | 170.7 | -175.5 | 178.1 | 0 | 116.7 | | |
| 351 | D | 48.5 | Very low | 43.5 | Very low | 163 Ų | 163 | 174.5 Ų | 174.5 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -105.5 | 34.8 | -175.7 | -62.7 | -57.4 | 0 | 0 | 0 | 114.8 | | |
| 352 | Y | 41.4 | Very low | 43.7 | Very low | 194 Ų | 194 | 168.4 Ų | 168.4 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -142.2 | 145.2 | 170.8 | -129.6 | -102.3 | 0 | 0 | 0 | 111.2 | | |
| 353 | Y | 41.4 | Very low | 43.8 | Very low | 199 Ų | 199 | 167.8 Ų | 167.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | 65.9 | 83.5 | -170.8 | -74 | -87.2 | 0 | 0 | 0 | 117.1 | | |
| 354 | K | 43.3 | Very low | 43.7 | Very low | 195 Ų | 195 | 169.9 Ų | 169.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -144.2 | 65.2 | 131.5 | -121.7 | 177.6 | -175.7 | -175.5 | 0 | 112.1 | | |
| 355 | K | 44.8 | Very low | 43.5 | Very low | 152 Ų | 152 | 172.1 Ų | 172.1 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -136.3 | 128 | 172.4 | -168.5 | 176.4 | -177.2 | 174.8 | 0 | 107.2 | | |
| 356 | Y | 41.8 | Very low | 43.6 | Very low | 171 Ų | 171 | 171.1 Ų | 171.1 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | trans | 69.7 | 61.1 | -171.3 | -47.9 | -70.6 | 0 | 0 | 0 | 116.5 | K358 | Y356-K358 HydrophobicContact CD1-CG 4.43Å; Y356-K358 PolarHBondContact O-N 3.34Å |
| 357 | D | 42 | Very low | 43.7 | Very low | 152 Ų | 152 | 172.6 Ų | 172.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -71 | 113.4 | 135 | -77.6 | -52 | 0 | 0 | 0 | 106.3 | | |
| 358 | K | 50.7 | Low | 43.4 | Very low | 149 Ų | 149 | 173.8 Ų | 173.8 | 65% | 0.648 | 79% | 0.788 | S | S | * | * | | | trans | -113.1 | 126.7 | -167.4 | -114 | -171.4 | 178.6 | -175.7 | 0 | 109.8 | Y356 | Y356-K358 HydrophobicContact CD1-CG 4.43Å; Y356-K358 PolarHBondContact O-N 3.34Å |
| 359 | Y | 44.5 | Very low | 43.6 | Very low | 187 Ų | 187 | 171.4 Ų | 171.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | 42.3 | 96.8 | 159.3 | -53.7 | -73 | 0 | 0 | 0 | 117.2 | | |
| 360 | D | 43.9 | Very low | 43.7 | Very low | 171 Ų | 171 | 172.3 Ų | 172.3 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | | | trans | -80.4 | 151.2 | 140.8 | -164.9 | 7 | 0 | 0 | 0 | 109.2 | | |
| 361 | Y | 44.6 | Very low | 43.4 | Very low | 199 Ų | 199 | 173.6 Ų | 173.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | -134.3 | 92.6 | -155.2 | -139.8 | -82 | 0 | 0 | 0 | 113 | | |
| 362 | G | 43.5 | Very low | 43.1 | Very low | 76 Ų | 76 | 175.1 Ų | 175.1 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 106.6 | 106.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 363 | S | 42.4 | Very low | 43.2 | Very low | 120 Ų | 120 | 172 Ų | 172 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -137.5 | 135.2 | 131.5 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 364 | R | 43.4 | Very low | 43.3 | Very low | 230 Ų | 230 | 171.5 Ų | 171.5 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -122.4 | 168.6 | 169 | -59.9 | -178.4 | -168.8 | 164.4 | 4.8 | 106.7 | | |
| 365 | Y | 41.6 | Very low | 43.6 | Very low | 216 Ų | 216 | 167.6 Ų | 167.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | 70.1 | 137.9 | -164.6 | -58.7 | -103.7 | 0 | 0 | 0 | 110.7 | | |
| 366 | E | 41.4 | Very low | 43.6 | Very low | 185 Ų | 185 | 166.9 Ų | 166.9 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | cis | -127.7 | 152.1 | 4 | -58.1 | 166.1 | 130.4 | 0 | 0 | 107.7 | | |
| 367 | K | 44.6 | Very low | 43.6 | Very low | 155 Ų | 155 | 166.9 Ų | 166.9 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | | | cis | 89.8 | 80.7 | 18.9 | -131.8 | -162.4 | -173.3 | -162.6 | 0 | 117.8 | | |
| 368 | Y | 40.9 | Very low | 43.7 | Very low | 192 Ų | 192 | 165.9 Ų | 165.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | 90.4 | 155.6 | 157.4 | -59.9 | -55.6 | 0 | 0 | 0 | 120.3 | | |
| 369 | S | 44.9 | Very low | 43.5 | Very low | 107 Ų | 107 | 165.9 Ų | 165.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 69.9 | 136.7 | 179.4 | 83.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 370 | Y | 38.8 | Very low | 43.7 | Very low | 211 Ų | 211 | 163.6 Ų | 163.6 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | -126.8 | 141 | -11.4 | -104.2 | -88.9 | 0 | 0 | 0 | 108.9 | | |
| 371 | R | 44 | Very low | 43.6 | Very low | 221 Ų | 221 | 164.6 Ų | 164.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -94.3 | 137.6 | 152.4 | -80.7 | -172.6 | -178.8 | 174.2 | -1.4 | 108 | D373 | R371-D373 WeakPolarHBondContact CD-OD2 3.38Š|
| 372 | K | 41.2 | Very low | 43.7 | Very low | 195 Ų | 195 | 161.5 Ų | 161.5 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | trans | -115.4 | 48.9 | 175.3 | -111.7 | -165.3 | 177.2 | -168.8 | 0 | 110.6 | H374 | K372-H374 PolarHBondContact O-N 3.29Š|
| 373 | D | 42.9 | Very low | 43.6 | Very low | 130 Ų | 130 | 164 Ų | 164 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -94.6 | 77.1 | 171.7 | -52.9 | -59.3 | 0 | 0 | 0 | 107.8 | R371 D375 | R371-D373 WeakPolarHBondContact CD-OD2 3.38Å; D373-D375 PolarHBondContact O-N 2.92Å |
| 374 | H | 45 | Very low | 43.9 | Very low | 188 Ų | 188 | 166.9 Ų | 166.9 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | -89.4 | 100.8 | 176 | -109.4 | -78.6 | 0 | 0 | 0 | 110.3 | K372 | K372-H374 PolarHBondContact O-N 3.29Š|
| 375 | D | 48.6 | Very low | 43.9 | Very low | 112 Ų | 112 | 163.1 Ų | 163.1 | 60% | 0.599 | 75% | 0.754 | S | S | * | * | | | trans | -60.4 | 145.7 | 170.9 | -148.6 | -5.6 | 0 | 0 | 0 | 111.3 | D373 | D373-D375 PolarHBondContact O-N 2.92Š|
| 376 | K | 44.3 | Very low | 44.3 | Very low | 138 Ų | 138 | 160.5 Ų | 160.5 | 60% | 0.6 | 75% | 0.754 | S | S | * | * | | | trans | 53 | 115.1 | 164.9 | -64.5 | 131.6 | -171 | 159.3 | 0 | 119.6 | | |
| 377 | H | 42.7 | Very low | 44.7 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.787 | 74% | 0.741 | S | S | * | * | | | | -140.2 | 107 | 129.8 | -111 | -85.4 | 0 | 0 | 0 | 108.1 | H379 | H377-H379 AromaticContact ND1-NE2 3.83Š|
| 378 | D | 44.9 | Very low | 44.8 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | -74.9 | 129.1 | 174.6 | -51.1 | -66.8 | 0 | 0 | 0 | 108.9 | | |
| 379 | H | 46 | Very low | 45.2 | Very low | 149 Ų | 149 | 154.5 Ų | 154.5 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | | | trans | -139.4 | 67.2 | 174.2 | -85.9 | -75.5 | 0 | 0 | 0 | 109.4 | H377 E381 | H377-H379 AromaticContact ND1-NE2 3.83Å; H379-E381 PolarHBondContact O-N 3.43Å |
| 380 | D | 47.8 | Very low | 45.3 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | | | trans | -71 | 99.3 | 161.9 | -73.2 | -43.8 | 0 | 0 | 0 | 108.6 | H382 | D380-H382 PolarHBondContact O-N 3.1Š|
| 381 | E | 42.1 | Very low | 45.7 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | | | trans | -75.7 | 69.3 | 168.1 | -69.9 | -170.4 | 161.5 | 0 | 0 | 109.9 | H379 | H379-E381 PolarHBondContact O-N 3.43Š|
| 382 | H | 46.6 | Very low | 45.9 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | | | trans | -97.6 | 126.4 | 179 | -108 | -74.4 | 0 | 0 | 0 | 112.3 | D380 | D380-H382 PolarHBondContact O-N 3.1Š|
| 383 | D | 41.4 | Very low | 46.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | | | trans | 40.2 | 93.8 | 149.4 | -55.4 | -44.8 | 0 | 0 | 0 | 119 | | |
| 384 | H | 49 | Very low | 46.7 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | | | trans | -115.5 | 97.2 | 148.4 | -87.4 | -78.5 | 0 | 0 | 0 | 110.7 | | |
| 385 | H | 43.3 | Very low | 47 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | | | trans | -57.8 | 141.2 | 147.1 | -87.6 | -110.7 | 0 | 0 | 0 | 108.6 | D387 | H385-D387 IonicContact CE1-OD2 2.96Å; H385-D387 IonicContact CG-OD2 3.84Å; H385-D387 IonicContact ND1-OD2 2.69Å; H385-D387 PolarHBondContact ND1-OD2 3.47Å |
| 386 | D | 50.1 | Low | 47.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | | | trans | -141.4 | 107.2 | 146.5 | -101.3 | -43.7 | 0 | 0 | 0 | 109.1 | | |
| 387 | D | 49.5 | Very low | 47.5 | Very low | 110 Ų | 110 | 144 Ų | 144 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | | | trans | -97.1 | 141.2 | -177.7 | -89 | -72.3 | 0 | 0 | 0 | 110.4 | H385 | H385-D387 IonicContact CE1-OD2 2.96Å; H385-D387 IonicContact CG-OD2 3.84Å; H385-D387 IonicContact ND1-OD2 2.69Å; H385-D387 PolarHBondContact ND1-OD2 3.47Å |
| 388 | H | 46.2 | Very low | 48.1 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | | | trans | 74.5 | 146.8 | 149.8 | -86.7 | -116.1 | 0 | 0 | 0 | 122.7 | | |
| 389 | H | 49.1 | Very low | 48.6 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | | | trans | 76 | 95 | 151.8 | -68.1 | -53.2 | 0 | 0 | 0 | 124.4 | | |
| 390 | D | 47.3 | Very low | 49.1 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 54% | 0.535 | 67% | 0.671 | S | S | . | * | | | | 81.5 | 153.3 | 108.3 | -97.8 | -56.5 | 0 | 0 | 0 | 126.3 | K98 | K98-D390 VanDerWaalsContact CE-O 3.27Å; K98-D390 WeakPolarHBondContact CE-O 3.36Å; K98-D390 PolarHBondContact NZ-O 3.16Å |
| 391 | H | 48.2 | Very low | 49.4 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | | | trans | 71 | 103.3 | 147.9 | -77.4 | 28 | 0 | 0 | 0 | 124.5 | | |
| 392 | R | 46.8 | Very low | 50.1 | Low | 169 Ų | 169 | 139.7 Ų | 139.7 | 64% | 0.638 | 66% | 0.661 | S | S | * | * | | | | 79.8 | 124.4 | 113.7 | -75.1 | 177.7 | -175.2 | -107.9 | 8.4 | 125.9 | | |
| 393 | H | 49.2 | Very low | 50.5 | Low | 120 Ų | 120 | 141.1 Ų | 141.1 | 56% | 0.556 | 67% | 0.667 | S | S | * | * | | | trans | 96.9 | 118.5 | 130.1 | -71.2 | -49.8 | 0 | 0 | 0 | 124.3 | | |
| 394 | H | 51.9 | Low | 50.8 | Low | 142 Ų | 142 | 143.4 Ų | 143.4 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | | | trans | 46.2 | 136.8 | 139 | -55.7 | -57 | 0 | 0 | 0 | 122.2 | | |
| 395 | H | 51.4 | Low | 50.8 | Low | 153 Ų | 153 | 143.2 Ų | 143.2 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | | | | -164.9 | 139.8 | 77.6 | -103.1 | -84.8 | 0 | 0 | 0 | 111.6 | | |
| 396 | H | 53.5 | Low | 51.2 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.625 | 67% | 0.673 | S | S | * | * | | | | 68.8 | 143.7 | 107.1 | -74 | -138.4 | 0 | 0 | 0 | 115.6 | | |
| 397 | E | 51 | Low | 51.3 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | | | cis | -162.8 | 163.4 | 12.4 | -119.3 | 160.9 | -161 | 0 | 0 | 113.2 | | |
| 398 | H | 54.3 | Low | 51.7 | Low | 143 Ų | 143 | 142.7 Ų | 142.7 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | | | trans | 70.3 | 151.1 | 149.1 | -74.7 | -148.7 | 0 | 0 | 0 | 121 | | |
| 399 | D | 55.5 | Low | 52.2 | Low | 107 Ų | 107 | 143.5 Ų | 143.5 | 57% | 0.572 | 67% | 0.667 | S | S | * | * | | | cis | -150.3 | 173.9 | 1.1 | -125 | -24 | 0 | 0 | 0 | 116.2 | | |
| 400 | H | 57 | Low | 52.5 | Low | 135 Ų | 135 | 144.1 Ų | 144.1 | 63% | 0.625 | 68% | 0.675 | S | S | * | * | | | trans | -31.9 | 176.1 | -179.5 | -44.1 | -48.4 | 0 | 0 | 0 | 121 | | |
| 401 | H | 54.8 | Low | 52.7 | Low | 164 Ų | 164 | 142.5 Ų | 142.5 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | | | cis | -159.7 | 173.2 | 21.6 | -93.7 | -56.8 | 0 | 0 | 0 | 108.9 | | |
| 402 | H | 56.2 | Low | 53 | Low | 142 Ų | 142 | 147.2 Ų | 147.2 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | | | cis | -170.8 | 179 | -36.5 | -146 | -124.8 | 0 | 0 | 0 | 110.1 | | |
| 403 | H | 54.6 | Low | 53.5 | Low | 164 Ų | 164 | 142 Ų | 142 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | | | trans | 60.3 | 112 | 165.5 | -74.4 | -68.2 | 0 | 0 | 0 | 122.8 | | |
| 404 | H | 48.2 | Very low | 53.7 | Low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | | | trans | -76.7 | 164 | 142.2 | -101.2 | -105.5 | 0 | 0 | 0 | 110.9 | | |
| 405 | E | 49 | Very low | 53.8 | Low | 177 Ų | 177 | 151.9 Ų | 151.9 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | | | | -173.9 | 142 | 110.8 | -98.3 | -170.1 | 170.2 | 0 | 0 | 115.9 | | |
| 406 | H | 51.3 | Low | 53.9 | Low | 152 Ų | 152 | 151.8 Ų | 151.8 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | trans | 31.1 | 109.6 | 148.6 | -79.7 | -73.3 | 0 | 0 | 0 | 124.9 | | |
| 407 | D | 53.4 | Low | 53.9 | Low | 119 Ų | 119 | 152.8 Ų | 152.8 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | | 94.2 | 155.3 | 112.1 | -109.4 | -53.1 | 0 | 0 | 0 | 125.4 | | |
| 408 | H | 56.2 | Low | 54.1 | Low | 140 Ų | 140 | 153.4 Ų | 153.4 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | | | trans | 67.1 | 90.9 | 149.2 | -77 | 12.4 | 0 | 0 | 0 | 121.2 | | |
| 409 | K | 57.7 | Low | 54.1 | Low | 171 Ų | 171 | 154.1 Ų | 154.1 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | | 155.3 | 151.4 | 96.8 | -86.6 | 149.4 | -174.4 | 164.4 | 0 | 115.2 | | |
| 410 | N | 55.1 | Low | 54 | Low | 155 Ų | 155 | 157.2 Ų | 157.2 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | trans | 29.2 | 126.7 | 146 | -49.8 | -15.6 | 0 | 0 | 0 | 119.4 | | |
| 411 | G | 51.8 | Low | 53.8 | Low | 66 Ų | 66 | 158.8 Ų | 158.8 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | cis | 122.5 | 155.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 412 | K | 54.4 | Low | 53.7 | Low | 220 Ų | 220 | 158.4 Ų | 158.4 | 96% | 0.957 | 78% | 0.778 | S | S | * | * | | | trans | 71.6 | 143.3 | -170.6 | -48.4 | 174.1 | -176.9 | 178.7 | 0 | 113.5 | | |
| 413 | G | 57 | Low | 53.5 | Low | 59 Ų | 59 | 159.8 Ų | 159.8 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | | | cis | 166.2 | 174.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 414 | Y | 53.4 | Low | 53.4 | Low | 318 Ų | 318 | 159.4 Ų | 159.4 | 100% | 1.247 | 79% | 0.79 | S | S | * | * | | | trans | 75.6 | 0 | -172.5 | -53.4 | -75.2 | 0 | 0 | 0 | 114.9 | | |