| 1 | M | 32.6 | Very low | 39.2 | Very low | 230 Ų | 230 | 151.6 Ų | 151.6 | 100% | 1.133 | 85% | 0.853 | S | S | * | * | | | | 0 | 143.4 | 0 | -161.3 | 157 | -85.2 | 0 | 0 | 107.1 | | |
| 2 | E | 39.7 | Very low | 38.9 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 85% | 0.848 | S | S | * | * | | | trans | -71.8 | 173.5 | -161.4 | -60.1 | 90.5 | 107.7 | 0 | 0 | 112.5 | | |
| 3 | A | 39.2 | Very low | 38.8 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | | | cis | -140.9 | 158.2 | 18.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 4 | D | 43.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 85% | 0.85 | 85% | 0.852 | S | S | * | * | | | | 69.3 | 143.3 | 55.6 | -141.5 | -60.2 | 0 | 0 | 0 | 114.1 | | |
| 5 | G | 37.9 | Very low | 38.6 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | | | trans | 145.7 | 68.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 6 | E | 48.8 | Very low | 38.3 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | -76.2 | 148 | 171.4 | 60.3 | 176.5 | 84.2 | 0 | 0 | 113.9 | | |
| 7 | Q | 39.4 | Very low | 38.3 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 90% | 0.902 | 85% | 0.846 | S | S | * | * | | | trans | -163.4 | 145.6 | 148.2 | -122.3 | 161.5 | 78.4 | 0 | 0 | 114 | | |
| 8 | S | 39.6 | Very low | 38.4 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 84% | 0.843 | S | S | * | * | | | trans | -118.4 | 149.3 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 9 | Q | 35.7 | Very low | 38.5 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | | | | -175.9 | 171.7 | 128.5 | -101.8 | 153.5 | 109.6 | 0 | 0 | 113.9 | | |
| 10 | Q | 42.3 | Very low | 38.4 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | | | trans | -104.4 | 151.7 | -169.2 | -64.2 | 152.4 | -2.6 | 0 | 0 | 111.5 | | |
| 11 | G | 31.8 | Very low | 38.3 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | | | trans | -148.8 | 142.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 12 | A | 35.6 | Very low | 38.8 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | | | trans | -125.7 | 155.4 | -158.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 13 | S | 38.5 | Very low | 38.7 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | 66.8 | 111.8 | 153.2 | -58.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 14 | T | 37.3 | Very low | 38.9 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | | | | -130.9 | 165 | 124.7 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | N | 36.3 | Very low | 39 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -104.2 | 144.4 | -162.5 | -166.1 | 11.3 | 0 | 0 | 0 | 112.4 | | |
| 16 | G | 34.6 | Very low | 39.4 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | trans | -170.9 | 97 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A18 | G16-A18 PolarHBondContact O-N 3.32Š|
| 17 | S | 38.2 | Very low | 39.6 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -78 | 115.3 | -174.8 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 18 | A | 39.4 | Very low | 40.5 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -108.8 | 139.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G16 | G16-A18 PolarHBondContact O-N 3.32Š|
| 19 | A | 40 | Very low | 41.2 | Very low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | -70.9 | 146.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G21 | A19-G21 PolarHBondContact O-N 3.33Š|
| 20 | S | 37.3 | Very low | 42.4 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | | | trans | -35.4 | 112.8 | -174.9 | -54 | 0 | 0 | 0 | 0 | 115.6 | A22 | S20-A22 PolarHBondContact O-N 3.42Š|
| 21 | G | 35.9 | Very low | 43.3 | Very low | 72 Ų | 72 | 112.4 Ų | 112.4 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | -65 | 129.1 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | A19 S23 | A19-G21 PolarHBondContact O-N 3.33Å; G21-S23 PolarHBondContact O-N 3.06Å |
| 22 | A | 44.4 | Very low | 44.8 | Very low | 95 Ų | 95 | 111 Ų | 111 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -71.5 | 78.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S20 S24 | S20-A22 PolarHBondContact O-N 3.42Å; A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.48Å |
| 23 | S | 36.8 | Very low | 46.9 | Very low | 112 Ų | 112 | 109.8 Ų | 109.8 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | | | trans | -69.8 | 88.5 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | G21 R25 | G21-S23 PolarHBondContact O-N 3.06Å; S23-R25 PolarHBondContact O-N 3.06Å |
| 24 | S | 42.7 | Very low | 48.8 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | | | trans | -69.3 | 63.8 | 174.1 | -62 | 0 | 0 | 0 | 0 | 111.2 | A22 P26 | A22-S24 VanDerWaalsContact C-N 3.3Å; A22-S24 PolarHBondContact O-N 3.48Å; S24-P26 WeakPolarHBondContact O-CD 3.46Å; S24-P26 VanDerWaalsContact O-N 3.16Å |
| 25 | R | 46.8 | Very low | 51 | Low | 220 Ų | 220 | 108.9 Ų | 108.9 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117.3 | 171.3 | -165.2 | -179.7 | -166.1 | -169.3 | 4.8 | 107.7 | S23 S27 | S23-R25 PolarHBondContact O-N 3.06Å; R25-S27 PolarHBondContact O-N 3.4Å; R25-S27 VanDerWaalsContact O-N 3.11Å |
| 26 | P | 45.3 | Very low | 53.3 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121 | -172.5 | 23 | -33 | 0 | 0 | 0 | 109.4 | S24 | S24-P26 WeakPolarHBondContact O-CD 3.46Å; S24-P26 VanDerWaalsContact O-N 3.16Å |
| 27 | S | 52.7 | Low | 55.7 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 133.7 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | R25 M29 N30 | R25-S27 PolarHBondContact O-N 3.4Å; R25-S27 VanDerWaalsContact O-N 3.11Å; S27-M29 PolarHBondContact O-N 2.99Å; S27-N30 PolarHBondContact O-N 3.38Å |
| 28 | P | 59.6 | Low | 57.9 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -9.5 | -173.1 | 24.4 | -34.4 | 0 | 0 | 0 | 114.4 | N30 S31 | P28-N30 PolarHBondContact O-N 3.07Å; P28-S31 PolarHBondContact O-OG 3.48Å |
| 29 | M | 54.8 | Low | 60 | Low | 106 Ų | 106 | 104.8 Ų | 104.8 | 52% | 0.522 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -29.5 | 166.7 | -67.6 | -177.8 | -72.5 | 0 | 0 | 113.2 | S27 S31 M32 R37 | S27-M29 PolarHBondContact O-N 2.99Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.28Å; M29-M32 WeakPolarHBondContact O-CB 3.48Å; M29-M32 PolarHBondContact O-N 3.34Å; M29-R37 HydrophobicContact CB-CG 4.5Å; M29-R37 VanDerWaalsContact O-CD 3.23Å; M29-R37 WeakPolarHBondContact O-CD 3.27Å; M29-R37 VanDerWaalsContact O-CG 3.29Å; M29-R37 WeakPolarHBondContact O-CG 3.21Å; M29-R37 PolarHBondContact O-NH1 2.85Å |
| 30 | N | 59.3 | Low | 62.1 | Low | 130 Ų | 130 | 102.3 Ų | 102.3 | 70% | 0.695 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -26.6 | -173.3 | -144 | 11.6 | 0 | 0 | 0 | 112.6 | S27 P28 R37 | S27-N30 PolarHBondContact O-N 3.38Å; P28-N30 PolarHBondContact O-N 3.07Å; N30-R37 PolarHBondContact O-NH1 3.13Å |
| 31 | S | 61.9 | Low | 64.3 | Low | 109 Ų | 109 | 103.4 Ų | 103.4 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -10.6 | 172.2 | 40.7 | 0 | 0 | 0 | 0 | 114.8 | P28 M29 | P28-S31 PolarHBondContact O-OG 3.48Å; M29-S31 VanDerWaalsContact C-N 3.32Å; M29-S31 PolarHBondContact O-N 3.28Å |
| 32 | M | 62.9 | Low | 66.2 | Low | 51 Ų | 51 | 102.3 Ų | 102.3 | 25% | 0.251 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -75 | 154.5 | 175.3 | -70 | 173.6 | -173.6 | 0 | 0 | 111.7 | M29 E36 R37 V40 | M29-M32 WeakPolarHBondContact O-CB 3.48Å; M29-M32 PolarHBondContact O-N 3.34Å; M32-E36 VanDerWaalsContact CA-OE2 3.26Å; M32-E36 WeakPolarHBondContact CA-OE2 3.41Å; M32-E36 HydrophobicContact CB-CB 4.11Å; M32-E36 HydrophobicContact CB-CG 3.92Å; M32-E36 VanDerWaalsContact CB-OE2 3.32Å; M32-E36 WeakPolarHBondContact CB-OE2 3.48Å; M32-E36 HydrophobicContact CG-CG 3.96Å; M32-E36 HydrophobicContact SD-CG 4.17Å; M32-R37 HydrophobicContact CB-CG 3.94Å; M32-R37 PolarHBondContact O-NH1 3.22Å; M32-V40 HydrophobicContact SD-CG2 4.09Å |
| 33 | S | 79.2 | Confident | 68 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 49% | 0.49 | 57% | 0.573 | S | S | . | * | | | trans | -58.9 | 154.7 | 168.1 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | Y35 E36 R37 | S33-Y35 VanDerWaalsContact C-N 3.26Å; S33-Y35 PolarHBondContact O-N 2.92Å; S33-Y35 PolarHBondContact OG-N 3.11Å; S33-E36 PolarHBondContact N-OE2 2.91Å; S33-E36 WeakPolarHBondContact O-CB 3.42Å; S33-E36 PolarHBondContact O-N 2.86Å; S33-E36 VanDerWaalsContact O-N 3.08Å; S33-R37 PolarHBondContact O-N 2.83Å |
| 34 | A | 79.8 | Confident | 70 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.2 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E36 Q38 | A34-E36 VanDerWaalsContact C-N 3.34Å; A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 PolarHBondContact O-N 3.02Å |
| 35 | Y | 82.3 | Confident | 71.2 | Confident | 182 Ų | 182 | 100.7 Ų | 100.7 | 71% | 0.714 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 173.8 | 177.7 | -96.2 | 0 | 0 | 0 | 112.3 | S33 Q38 A39 | S33-Y35 VanDerWaalsContact C-N 3.26Å; S33-Y35 PolarHBondContact O-N 2.92Å; S33-Y35 PolarHBondContact OG-N 3.11Å; Y35-Q38 PolarHBondContact O-N 3.06Å; Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.05Å |
| 36 | E | 84.4 | Confident | 71.8 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.6 | -39.9 | -178.6 | -176.4 | -179.7 | -153.9 | 0 | 0 | 111.5 | M32 S33 A34 Q38 A39 V40 | M32-E36 VanDerWaalsContact CA-OE2 3.26Å; M32-E36 WeakPolarHBondContact CA-OE2 3.41Å; M32-E36 HydrophobicContact CB-CB 4.11Å; M32-E36 HydrophobicContact CB-CG 3.92Å; M32-E36 VanDerWaalsContact CB-OE2 3.32Å; M32-E36 WeakPolarHBondContact CB-OE2 3.48Å; M32-E36 HydrophobicContact CG-CG 3.96Å; M32-E36 HydrophobicContact SD-CG 4.17Å; S33-E36 PolarHBondContact N-OE2 2.91Å; S33-E36 WeakPolarHBondContact O-CB 3.42Å; S33-E36 PolarHBondContact O-N 2.86Å; S33-E36 VanDerWaalsContact O-N 3.08Å; A34-E36 VanDerWaalsContact C-N 3.34Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.09Å; E36-A39 PolarHBondContact O-N 2.9Å; E36-V40 WeakPolarHBondContact O-CB 3.42Å; E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 3.19Å |
| 37 | R | 85.1 | Confident | 72.8 | Confident | 90 Ų | 90 | 96 Ų | 96 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 166.3 | -77.9 | -164.7 | -81.1 | -92.9 | 6.2 | 111.6 | M29 N30 M32 S33 V40 Q41 | M29-R37 HydrophobicContact CB-CG 4.5Å; M29-R37 VanDerWaalsContact O-CD 3.23Å; M29-R37 WeakPolarHBondContact O-CD 3.27Å; M29-R37 VanDerWaalsContact O-CG 3.29Å; M29-R37 WeakPolarHBondContact O-CG 3.21Å; M29-R37 PolarHBondContact O-NH1 2.85Å; N30-R37 PolarHBondContact O-NH1 3.13Å; M32-R37 HydrophobicContact CB-CG 3.94Å; M32-R37 PolarHBondContact O-NH1 3.22Å; S33-R37 PolarHBondContact O-N 2.83Å; R37-V40 PolarHBondContact O-N 3Å; R37-Q41 VanDerWaalsContact O-CB 3.28Å; R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.43Å |
| 38 | Q | 85 | Confident | 73.3 | Confident | 142 Ų | 142 | 102.4 Ų | 102.4 | 66% | 0.664 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 178.3 | -174.2 | 175.1 | -3.7 | 0 | 0 | 111.8 | A34 Y35 E36 Q41 A42 | A34-Q38 WeakPolarHBondContact O-CB 3.45Å; A34-Q38 PolarHBondContact O-N 3.02Å; Y35-Q38 PolarHBondContact O-N 3.06Å; E36-Q38 VanDerWaalsContact C-N 3.34Å; E36-Q38 PolarHBondContact O-N 3.09Å; Q38-Q41 PolarHBondContact O-N 2.9Å; Q38-A42 WeakPolarHBondContact O-CB 3.27Å; Q38-A42 PolarHBondContact O-N 2.87Å |
| 39 | A | 82.9 | Confident | 73 | Confident | 39 Ų | 39 | 103.5 Ų | 103.5 | 32% | 0.322 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y35 E36 A42 L43 | Y35-A39 WeakPolarHBondContact O-CB 3.24Å; Y35-A39 PolarHBondContact O-N 3.05Å; E36-A39 PolarHBondContact O-N 2.9Å; A39-A42 PolarHBondContact O-N 3.09Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 VanDerWaalsContact O-CG 3.3Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.19Å |
| 40 | V | 85.1 | Confident | 73.2 | Confident | 53 Ų | 53 | 104.6 Ų | 104.6 | 32% | 0.321 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -41.8 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | M32 E36 R37 L43 Q44 | M32-V40 HydrophobicContact SD-CG2 4.09Å; E36-V40 WeakPolarHBondContact O-CB 3.42Å; E36-V40 WeakPolarHBondContact O-CG2 3.38Å; E36-V40 PolarHBondContact O-N 3.19Å; R37-V40 PolarHBondContact O-N 3Å; V40-L43 PolarHBondContact O-N 3.25Å; V40-Q44 VanDerWaalsContact O-CB 3.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.46Å; V40-Q44 PolarHBondContact O-N 3.14Å |
| 41 | Q | 83.7 | Confident | 73.4 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 177.5 | -168.3 | 169.5 | 13.2 | 0 | 0 | 112.1 | R37 Q38 Q44 A45 | R37-Q41 VanDerWaalsContact O-CB 3.28Å; R37-Q41 WeakPolarHBondContact O-CB 3.31Å; R37-Q41 PolarHBondContact O-N 3.43Å; Q38-Q41 PolarHBondContact O-N 2.9Å; Q41-Q44 PolarHBondContact O-N 2.84Å; Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.99Å |
| 42 | A | 75.6 | Confident | 73.5 | Confident | 49 Ų | 49 | 98.9 Ų | 98.9 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q38 A39 Q44 A45 L46 | Q38-A42 WeakPolarHBondContact O-CB 3.27Å; Q38-A42 PolarHBondContact O-N 2.87Å; A39-A42 PolarHBondContact O-N 3.09Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.79Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.17Å; A42-L46 WeakPolarHBondContact O-CD1 3.43Å; A42-L46 PolarHBondContact O-N 3.45Å |
| 43 | L | 81.1 | Confident | 73.9 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 60% | 0.602 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 175.7 | -75.2 | 163.4 | 0 | 0 | 0 | 111.9 | A39 V40 L46 Q47 | A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 VanDerWaalsContact O-CG 3.3Å; A39-L43 WeakPolarHBondContact O-CG 3.4Å; A39-L43 PolarHBondContact O-N 3.19Å; V40-L43 PolarHBondContact O-N 3.25Å; L43-L46 PolarHBondContact O-N 2.88Å; L43-Q47 WeakPolarHBondContact O-CG 3.37Å; L43-Q47 PolarHBondContact O-N 3.27Å |
| 44 | Q | 79.9 | Confident | 73.7 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 176 | -165.8 | 78.8 | 94.7 | 0 | 0 | 111.9 | V40 Q41 A42 R48 | V40-Q44 VanDerWaalsContact O-CB 3.3Å; V40-Q44 WeakPolarHBondContact O-CB 3.46Å; V40-Q44 PolarHBondContact O-N 3.14Å; Q41-Q44 PolarHBondContact O-N 2.84Å; A42-Q44 VanDerWaalsContact C-N 3.32Å; A42-Q44 PolarHBondContact O-N 2.79Å; Q44-R48 PolarHBondContact O-N 3.29Å |
| 45 | A | 66.6 | Low | 73.5 | Confident | 56 Ų | 56 | 105.5 Ų | 105.5 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q41 A42 Q47 R48 | Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.99Å; A42-A45 PolarHBondContact O-N 2.9Å; A42-A45 VanDerWaalsContact O-N 3.17Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-Q47 PolarHBondContact O-N 2.9Å; A45-R48 PolarHBondContact O-N 2.94Å |
| 46 | L | 60.5 | Low | 73.4 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.4 | -90.6 | 79.9 | 0 | 0 | 0 | 111.6 | A42 L43 R48 Q49 A52 | A42-L46 WeakPolarHBondContact O-CD1 3.43Å; A42-L46 PolarHBondContact O-N 3.45Å; L43-L46 PolarHBondContact O-N 2.88Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.89Å; L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-Q49 VanDerWaalsContact O-N 3.15Å; L46-Q49 VanDerWaalsContact O-O 3.05Å; L46-A52 HydrophobicContact CG-CB 4.44Å |
| 47 | Q | 65.7 | Low | 73.3 | Confident | 157 Ų | 157 | 102.8 Ų | 102.8 | 73% | 0.734 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.9 | -27.2 | 176.6 | -78.6 | -171.4 | -4.1 | 0 | 0 | 114 | L43 A45 Q49 | L43-Q47 WeakPolarHBondContact O-CG 3.37Å; L43-Q47 PolarHBondContact O-N 3.27Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-Q47 PolarHBondContact O-N 2.9Å; Q47-Q49 VanDerWaalsContact C-N 3.25Å; Q47-Q49 PolarHBondContact O-N 3.12Å |
| 48 | R | 63.9 | Low | 73.4 | Confident | 204 Ų | 204 | 103.8 Ų | 103.8 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | 175.4 | -74 | -164.3 | 69.9 | 90.6 | 1 | 114.1 | Q44 A45 L46 | Q44-R48 PolarHBondContact O-N 3.29Å; A45-R48 PolarHBondContact O-N 2.94Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.89Å |
| 49 | Q | 53.6 | Low | 73.7 | Confident | 119 Ų | 119 | 102.3 Ų | 102.3 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | | | trans | -138.6 | 95.7 | -176.5 | -72.6 | -63.3 | -14.7 | 0 | 0 | 110.7 | L46 Q47 N51 A52 | L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-Q49 VanDerWaalsContact O-N 3.15Å; L46-Q49 VanDerWaalsContact O-O 3.05Å; Q47-Q49 VanDerWaalsContact C-N 3.25Å; Q47-Q49 PolarHBondContact O-N 3.12Å; Q49-N51 PolarHBondContact O-N 2.95Å; Q49-A52 HydrophobicContact CB-CB 3.64Å; Q49-A52 WeakPolarHBondContact O-CB 3.31Å; Q49-A52 PolarHBondContact O-N 3.34Å |
| 50 | P | 59.5 | Low | 73.8 | Confident | 130 Ų | 130 | 105.5 Ų | 105.5 | 84% | 0.844 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.9 | -175.4 | 25.8 | -35 | 0 | 0 | 0 | 114.2 | | |
| 51 | N | 62.8 | Low | 74 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -6.7 | 176 | -146.4 | 8.9 | 0 | 0 | 0 | 113.8 | Q49 A53 Q54 Y55 | Q49-N51 PolarHBondContact O-N 2.95Å; N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 3.48Å; N51-Q54 WeakPolarHBondContact O-CB 3.45Å; N51-Q54 PolarHBondContact O-N 2.87Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q54 VanDerWaalsContact OD1-CG 3.3Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.35Å; N51-Y55 PolarHBondContact O-N 3.5Å |
| 52 | A | 63.9 | Low | 74.1 | Confident | 29 Ų | 29 | 104.8 Ų | 104.8 | 24% | 0.24 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -64.2 | -33.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L46 Q49 Q54 Y55 F56 | L46-A52 HydrophobicContact CG-CB 4.44Å; Q49-A52 HydrophobicContact CB-CB 3.64Å; Q49-A52 WeakPolarHBondContact O-CB 3.31Å; Q49-A52 PolarHBondContact O-N 3.34Å; A52-Q54 PolarHBondContact O-N 2.85Å; A52-Y55 PolarHBondContact O-N 3.12Å; A52-F56 PolarHBondContact O-N 2.83Å |
| 53 | A | 70.4 | Confident | 74.7 | Confident | 46 Ų | 46 | 108.6 Ų | 108.6 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -24.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N51 Q57 | N51-A53 VanDerWaalsContact C-N 3.29Å; N51-A53 PolarHBondContact O-N 3.48Å; A53-Q57 WeakPolarHBondContact O-CG 3.45Å; A53-Q57 PolarHBondContact O-N 3.22Å; A53-Q57 PolarHBondContact O-NE2 2.79Å |
| 54 | Q | 76 | Confident | 74.7 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.5 | -45 | 172.2 | -62.8 | -66.1 | -16.4 | 0 | 0 | 110.7 | N51 A52 F56 Q57 Q58 | N51-Q54 WeakPolarHBondContact O-CB 3.45Å; N51-Q54 PolarHBondContact O-N 2.87Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.42Å; N51-Q54 VanDerWaalsContact OD1-CG 3.3Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.35Å; A52-Q54 PolarHBondContact O-N 2.85Å; Q54-F56 VanDerWaalsContact C-N 3.32Å; Q54-F56 PolarHBondContact O-N 3.46Å; Q54-Q57 PolarHBondContact O-N 3.03Å; Q54-Q58 WeakPolarHBondContact O-CB 3.37Å; Q54-Q58 PolarHBondContact O-N 3.49Å |
| 55 | Y | 75.8 | Confident | 74.8 | Confident | 169 Ų | 169 | 107.3 Ų | 107.3 | 66% | 0.663 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -38.9 | 174.2 | -80.8 | -80.2 | 0 | 0 | 0 | 112.7 | N51 A52 Q58 L59 | N51-Y55 PolarHBondContact O-N 3.5Å; A52-Y55 PolarHBondContact O-N 3.12Å; Y55-Q58 PolarHBondContact O-N 2.75Å; Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 2.89Å |
| 56 | F | 79.6 | Confident | 75.6 | Confident | 113 Ų | 113 | 108.6 Ų | 108.6 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.3 | -173.6 | -99.5 | 0 | 0 | 0 | 112.5 | A52 Q54 L59 M60 | A52-F56 PolarHBondContact O-N 2.83Å; Q54-F56 VanDerWaalsContact C-N 3.32Å; Q54-F56 PolarHBondContact O-N 3.46Å; F56-L59 PolarHBondContact O-N 3.26Å; F56-M60 HydrophobicContact CD1-CG 4.2Å; F56-M60 HydrophobicContact CE1-CE 3.94Å; F56-M60 HydrophobicContact CE1-CG 3.71Å; F56-M60 HydrophobicContact CE1-SD 3.64Å; F56-M60 HydrophobicContact CE2-CG 4.44Å; F56-M60 HydrophobicContact CZ-CG 3.85Å; F56-M60 HydrophobicContact CZ-SD 3.85Å; F56-M60 WeakPolarHBondContact O-CG 3.29Å; F56-M60 PolarHBondContact O-N 3.4Å |
| 57 | Q | 83.4 | Confident | 76.3 | Confident | 106 Ų | 106 | 108 Ų | 108 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.4 | -78.9 | 172.3 | 97.3 | 0 | 0 | 111.9 | A53 Q54 L59 M60 L61 | A53-Q57 WeakPolarHBondContact O-CG 3.45Å; A53-Q57 PolarHBondContact O-N 3.22Å; A53-Q57 PolarHBondContact O-NE2 2.79Å; Q54-Q57 PolarHBondContact O-N 3.03Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; Q57-M60 PolarHBondContact O-N 2.9Å; Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 2.92Å |
| 58 | Q | 85.5 | Confident | 76.8 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 177.5 | -175.6 | 57.9 | 86.6 | 0 | 0 | 112 | Q54 Y55 Q62 | Q54-Q58 WeakPolarHBondContact O-CB 3.37Å; Q54-Q58 PolarHBondContact O-N 3.49Å; Y55-Q58 PolarHBondContact O-N 2.75Å; Q58-Q62 VanDerWaalsContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 PolarHBondContact O-N 3.32Å |
| 59 | L | 91.4 | Very high | 77.5 | Confident | 110 Ų | 110 | 99.1 Ų | 99.1 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.1 | -47.8 | 174.3 | -178.3 | 63.4 | 0 | 0 | 0 | 111.6 | Y55 F56 Q57 L61 Q62 Q63 | Y55-L59 WeakPolarHBondContact O-CB 3.37Å; Y55-L59 PolarHBondContact O-N 2.89Å; F56-L59 PolarHBondContact O-N 3.26Å; Q57-L59 VanDerWaalsContact C-N 3.33Å; Q57-L59 PolarHBondContact O-N 2.86Å; L59-L61 PolarHBondContact O-N 2.92Å; L59-Q62 PolarHBondContact O-N 3.44Å; L59-Q63 WeakPolarHBondContact O-CB 3.49Å; L59-Q63 PolarHBondContact O-N 3.46Å |
| 60 | M | 85.6 | Confident | 78.7 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.4 | -73.2 | -139.6 | -55.9 | 0 | 0 | 112.1 | F56 Q57 Q62 Q63 Q64 | F56-M60 HydrophobicContact CD1-CG 4.2Å; F56-M60 HydrophobicContact CE1-CE 3.94Å; F56-M60 HydrophobicContact CE1-CG 3.71Å; F56-M60 HydrophobicContact CE1-SD 3.64Å; F56-M60 HydrophobicContact CE2-CG 4.44Å; F56-M60 HydrophobicContact CZ-CG 3.85Å; F56-M60 HydrophobicContact CZ-SD 3.85Å; F56-M60 WeakPolarHBondContact O-CG 3.29Å; F56-M60 PolarHBondContact O-N 3.4Å; Q57-M60 PolarHBondContact O-N 2.9Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; M60-Q63 WeakPolarHBondContact O-CB 3.26Å; M60-Q63 PolarHBondContact O-N 3.41Å; M60-Q64 VanDerWaalsContact O-CB 3.31Å; M60-Q64 WeakPolarHBondContact O-CB 3.31Å; M60-Q64 PolarHBondContact O-N 3.41Å |
| 61 | L | 88.9 | Confident | 79.8 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 43% | 0.429 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 176.6 | -178.2 | 61.3 | 0 | 0 | 0 | 111.2 | Q57 L59 Q64 I65 | Q57-L61 VanDerWaalsContact O-CB 3.23Å; Q57-L61 WeakPolarHBondContact O-CB 3.3Å; Q57-L61 PolarHBondContact O-N 2.92Å; L59-L61 PolarHBondContact O-N 2.92Å; L61-Q64 PolarHBondContact O-N 3.4Å; L61-I65 HydrophobicContact CD1-CD1 4.04Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CB 3.48Å; L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.19Å; L61-I65 PolarHBondContact O-N 2.95Å |
| 62 | Q | 86.2 | Confident | 80.6 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.8 | -175.3 | 58.8 | 87.4 | 0 | 0 | 112 | Q58 L59 M60 N66 | Q58-Q62 VanDerWaalsContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 PolarHBondContact O-N 3.32Å; L59-Q62 PolarHBondContact O-N 3.44Å; M60-Q62 VanDerWaalsContact C-N 3.35Å; Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.18Å |
| 63 | Q | 87.5 | Confident | 81.5 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 60% | 0.598 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 174.3 | -169.3 | 76.1 | 86.2 | 0 | 0 | 111.5 | L59 M60 N66 S67 | L59-Q63 WeakPolarHBondContact O-CB 3.49Å; L59-Q63 PolarHBondContact O-N 3.46Å; M60-Q63 WeakPolarHBondContact O-CB 3.26Å; M60-Q63 PolarHBondContact O-N 3.41Å; Q63-N66 PolarHBondContact O-N 2.89Å; Q63-S67 PolarHBondContact O-N 3.3Å; Q63-S67 PolarHBondContact O-OG 2.85Å |
| 64 | Q | 82.9 | Confident | 81.8 | Confident | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 178.6 | -173.3 | -178.4 | 8.2 | 0 | 0 | 112.3 | M60 L61 N66 S67 A68 | M60-Q64 VanDerWaalsContact O-CB 3.31Å; M60-Q64 WeakPolarHBondContact O-CB 3.31Å; M60-Q64 PolarHBondContact O-N 3.41Å; L61-Q64 PolarHBondContact O-N 3.4Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; Q64-S67 PolarHBondContact O-OG 2.83Å; Q64-S67 VanDerWaalsContact O-OG 3.12Å; Q64-A68 WeakPolarHBondContact O-CB 3.48Å; Q64-A68 PolarHBondContact O-N 2.96Å |
| 65 | I | 80.6 | Confident | 81.8 | Confident | 72 Ų | 72 | 101.5 Ų | 101.5 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 174.6 | -70.6 | 165.7 | 0 | 0 | 0 | 110.1 | L61 A68 Q69 | L61-I65 HydrophobicContact CD1-CD1 4.04Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CB 3.48Å; L61-I65 VanDerWaalsContact O-CG1 3.26Å; L61-I65 WeakPolarHBondContact O-CG1 3.19Å; L61-I65 PolarHBondContact O-N 2.95Å; I65-A68 PolarHBondContact O-N 3.26Å; I65-Q69 HydrophobicContact CG2-CG 4.48Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.44Å; I65-Q69 PolarHBondContact O-N 3.35Å |
| 66 | N | 83.2 | Confident | 82.1 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 177.4 | -173.2 | -79.6 | 0 | 0 | 0 | 111.9 | Q62 Q63 Q64 Q69 L70 | Q62-N66 WeakPolarHBondContact O-CB 3.23Å; Q62-N66 PolarHBondContact O-N 3.18Å; Q63-N66 PolarHBondContact O-N 2.89Å; Q64-N66 VanDerWaalsContact C-N 3.33Å; N66-Q69 PolarHBondContact O-N 3.41Å; N66-L70 PolarHBondContact O-N 3.44Å |
| 67 | S | 76.9 | Confident | 82.2 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -36.9 | 177.4 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | Q63 Q64 L70 Q71 | Q63-S67 PolarHBondContact O-N 3.3Å; Q63-S67 PolarHBondContact O-OG 2.85Å; Q64-S67 PolarHBondContact O-OG 2.83Å; Q64-S67 VanDerWaalsContact O-OG 3.12Å; S67-L70 PolarHBondContact O-N 3.2Å; S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.41Å; S67-Q71 PolarHBondContact O-N 3.18Å |
| 68 | A | 75.6 | Confident | 81.8 | Confident | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q64 I65 Q71 N72 | Q64-A68 WeakPolarHBondContact O-CB 3.48Å; Q64-A68 PolarHBondContact O-N 2.96Å; I65-A68 PolarHBondContact O-N 3.26Å; A68-Q71 PolarHBondContact O-N 3.35Å; A68-N72 VanDerWaalsContact O-CB 3.3Å; A68-N72 WeakPolarHBondContact O-CB 3.37Å; A68-N72 PolarHBondContact O-N 3.22Å |
| 69 | Q | 79.1 | Confident | 81.5 | Confident | 125 Ų | 125 | 98.4 Ų | 98.4 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 173.3 | -77.8 | 176.1 | -13.2 | 0 | 0 | 111.7 | I65 N66 N72 L73 | I65-Q69 HydrophobicContact CG2-CG 4.48Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.44Å; I65-Q69 PolarHBondContact O-N 3.35Å; N66-Q69 PolarHBondContact O-N 3.41Å; Q69-N72 PolarHBondContact O-N 3Å; Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.04Å |
| 70 | L | 78.1 | Confident | 80.8 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 176.3 | -174.6 | 62.1 | 0 | 0 | 0 | 111.8 | N66 S67 L73 A74 | N66-L70 PolarHBondContact O-N 3.44Å; S67-L70 PolarHBondContact O-N 3.2Å; L70-L73 PolarHBondContact O-N 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 2.88Å |
| 71 | Q | 82.1 | Confident | 79.9 | Confident | 151 Ų | 151 | 97.4 Ų | 97.4 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -36.1 | 175 | -171.1 | 175.1 | 63.9 | 0 | 0 | 112 | S67 A68 A74 A75 | S67-Q71 VanDerWaalsContact O-CB 3.31Å; S67-Q71 WeakPolarHBondContact O-CB 3.41Å; S67-Q71 PolarHBondContact O-N 3.18Å; A68-Q71 PolarHBondContact O-N 3.35Å; Q71-A74 PolarHBondContact O-N 3.06Å; Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.89Å |
| 72 | N | 79.4 | Confident | 79.1 | Confident | 106 Ų | 106 | 98 Ų | 98 | 57% | 0.567 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.3 | -42.2 | 174.4 | -158.4 | -78.4 | 0 | 0 | 0 | 111.4 | A68 Q69 A74 A75 V76 | A68-N72 VanDerWaalsContact O-CB 3.3Å; A68-N72 WeakPolarHBondContact O-CB 3.37Å; A68-N72 PolarHBondContact O-N 3.22Å; Q69-N72 PolarHBondContact O-N 3Å; N72-A74 VanDerWaalsContact C-N 3.33Å; N72-A74 PolarHBondContact O-N 3.32Å; N72-A75 PolarHBondContact O-N 3.46Å; N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.9Å |
| 73 | L | 83.5 | Confident | 78.3 | Confident | 111 Ų | 111 | 98.2 Ų | 98.2 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 173.4 | -177.5 | 60.7 | 0 | 0 | 0 | 111.8 | Q69 L70 V76 Q77 | Q69-L73 WeakPolarHBondContact O-CB 3.3Å; Q69-L73 PolarHBondContact O-N 3.04Å; L70-L73 PolarHBondContact O-N 3.28Å; L73-V76 PolarHBondContact O-N 3.46Å; L73-Q77 WeakPolarHBondContact O-CB 3.48Å; L73-Q77 PolarHBondContact O-N 2.95Å |
| 74 | A | 76.7 | Confident | 76.9 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L70 Q71 N72 Q77 Q78 | L70-A74 WeakPolarHBondContact O-CB 3.39Å; L70-A74 PolarHBondContact O-N 2.88Å; Q71-A74 PolarHBondContact O-N 3.06Å; N72-A74 VanDerWaalsContact C-N 3.33Å; N72-A74 PolarHBondContact O-N 3.32Å; A74-Q77 PolarHBondContact O-N 3.43Å; A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.45Å |
| 75 | A | 76.3 | Confident | 75.6 | Confident | 43 Ų | 43 | 91.3 Ų | 91.3 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q71 N72 Q77 Q78 V79 | Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 2.89Å; N72-A75 PolarHBondContact O-N 3.46Å; A75-Q77 VanDerWaalsContact C-N 3.33Å; A75-Q77 PolarHBondContact O-N 2.86Å; A75-Q78 PolarHBondContact O-N 2.93Å; A75-V79 WeakPolarHBondContact O-CG2 3.23Å; A75-V79 PolarHBondContact O-N 3.15Å |
| 76 | V | 82.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 172.9 | 169.6 | 0 | 0 | 0 | 0 | 111 | N72 L73 V79 K80 | N72-V76 WeakPolarHBondContact O-CG2 3.44Å; N72-V76 PolarHBondContact O-N 2.9Å; L73-V76 PolarHBondContact O-N 3.46Å; V76-V79 PolarHBondContact O-N 3.47Å; V76-K80 VanDerWaalsContact O-CB 3.27Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 PolarHBondContact O-N 2.83Å |
| 77 | Q | 80.4 | Confident | 72.9 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -38.2 | 175.2 | -171.1 | 63.8 | 20.5 | 0 | 0 | 111.9 | L73 A74 A75 K80 A81 | L73-Q77 WeakPolarHBondContact O-CB 3.48Å; L73-Q77 PolarHBondContact O-N 2.95Å; A74-Q77 PolarHBondContact O-N 3.43Å; A75-Q77 VanDerWaalsContact C-N 3.33Å; A75-Q77 PolarHBondContact O-N 2.86Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q77-A81 WeakPolarHBondContact O-CB 3.33Å; Q77-A81 PolarHBondContact O-N 3.12Å |
| 78 | Q | 76.8 | Confident | 71.6 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 65% | 0.645 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -48.7 | 171.4 | -75.3 | 179.8 | -5.1 | 0 | 0 | 111.8 | A74 A75 K80 A81 T82 | A74-Q78 WeakPolarHBondContact O-CG 3.43Å; A74-Q78 PolarHBondContact O-N 3.45Å; A75-Q78 PolarHBondContact O-N 2.93Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 3.32Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; Q78-T82 PolarHBondContact O-N 3.23Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; Q78-T82 VanDerWaalsContact O-OG1 3.12Å |
| 79 | V | 78.8 | Confident | 69.9 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 61% | 0.606 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.2 | -39.8 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | A75 V76 T82 L83 | A75-V79 WeakPolarHBondContact O-CG2 3.23Å; A75-V79 PolarHBondContact O-N 3.15Å; V76-V79 PolarHBondContact O-N 3.47Å; V79-T82 PolarHBondContact O-N 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 2.87Å |
| 80 | K | 75.8 | Confident | 67.9 | Low | 139 Ų | 139 | 102 Ų | 102 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 175.3 | -171.9 | 175.3 | -179.8 | 179.8 | 0 | 112.6 | V76 Q77 Q78 A84 | V76-K80 VanDerWaalsContact O-CB 3.27Å; V76-K80 WeakPolarHBondContact O-CB 3.29Å; V76-K80 PolarHBondContact O-N 2.83Å; Q77-K80 PolarHBondContact O-N 3.35Å; Q78-K80 VanDerWaalsContact C-N 3.27Å; Q78-K80 PolarHBondContact O-N 3.32Å; K80-A84 WeakPolarHBondContact O-CB 3.28Å; K80-A84 PolarHBondContact O-N 3.31Å |
| 81 | A | 66.4 | Low | 66.1 | Low | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.2 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q77 Q78 L83 A84 A85 | Q77-A81 WeakPolarHBondContact O-CB 3.33Å; Q77-A81 PolarHBondContact O-N 3.12Å; Q78-A81 PolarHBondContact O-N 2.87Å; Q78-A81 VanDerWaalsContact O-N 3.12Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.19Å; A81-A84 WeakPolarHBondContact O-CB 3.3Å; A81-A84 PolarHBondContact O-N 2.88Å; A81-A85 PolarHBondContact O-N 3.1Å |
| 82 | T | 72.6 | Confident | 63.8 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 59% | 0.589 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.5 | -39.9 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | Q78 V79 A85 S86 | Q78-T82 PolarHBondContact O-N 3.23Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; Q78-T82 VanDerWaalsContact O-OG1 3.12Å; V79-T82 PolarHBondContact O-N 3.27Å; T82-A85 PolarHBondContact O-N 3.17Å; T82-S86 VanDerWaalsContact O-CB 3.27Å; T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 2.9Å |
| 83 | L | 70 | Confident | 61.6 | Low | 108 Ų | 108 | 100.7 Ų | 100.7 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.5 | -36.1 | 174.6 | -176.6 | 60.7 | 0 | 0 | 0 | 112.1 | V79 A81 R87 | V79-L83 WeakPolarHBondContact O-CB 3.42Å; V79-L83 PolarHBondContact O-N 2.87Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-L83 PolarHBondContact O-N 3.19Å; L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.47Å |
| 84 | A | 57.1 | Low | 59.1 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | K80 A81 S86 R87 | K80-A84 WeakPolarHBondContact O-CB 3.28Å; K80-A84 PolarHBondContact O-N 3.31Å; A81-A84 WeakPolarHBondContact O-CB 3.3Å; A81-A84 PolarHBondContact O-N 2.88Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; A84-R87 PolarHBondContact O-N 3.38Å; A84-R87 VanDerWaalsContact O-N 3.09Å |
| 85 | A | 55.7 | Low | 57 | Low | 56 Ų | 56 | 103.5 Ų | 103.5 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.3 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A81 T82 R87 Q88 S89 | A81-A85 PolarHBondContact O-N 3.1Å; T82-A85 PolarHBondContact O-N 3.17Å; A85-R87 PolarHBondContact O-N 3.33Å; A85-Q88 WeakPolarHBondContact O-CA 3.14Å; A85-Q88 PolarHBondContact O-N 3.16Å; A85-S89 PolarHBondContact O-N 3.35Å; A85-S89 VanDerWaalsContact O-N 3.09Å |
| 86 | S | 54.4 | Low | 54.9 | Low | 71 Ų | 71 | 107.3 Ų | 107.3 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.5 | -15.8 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 113.8 | T82 A84 S89 | T82-S86 VanDerWaalsContact O-CB 3.27Å; T82-S86 WeakPolarHBondContact O-CB 3.35Å; T82-S86 PolarHBondContact O-N 2.9Å; A84-S86 VanDerWaalsContact C-N 3.34Å; A84-S86 PolarHBondContact O-N 2.92Å; S86-S89 WeakPolarHBondContact CA-OG 3.3Å; S86-S89 PolarHBondContact O-OG 3.13Å |
| 87 | R | 52.7 | Low | 52.6 | Low | 211 Ų | 211 | 112.7 Ų | 112.7 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -1.3 | 170 | -64.8 | -174.3 | 88.5 | -132.1 | 3.4 | 113.5 | L83 A84 A85 | L83-R87 WeakPolarHBondContact O-CG 3.49Å; L83-R87 PolarHBondContact O-N 3.47Å; A84-R87 PolarHBondContact O-N 3.38Å; A84-R87 VanDerWaalsContact O-N 3.09Å; A85-R87 PolarHBondContact O-N 3.33Å |
| 88 | Q | 50.5 | Low | 50.1 | Low | 169 Ų | 169 | 113.4 Ų | 113.4 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -16.5 | 168.3 | -62.3 | -170.4 | -77.6 | 0 | 0 | 112.8 | A85 S90 | A85-Q88 WeakPolarHBondContact O-CA 3.14Å; A85-Q88 PolarHBondContact O-N 3.16Å; Q88-S90 PolarHBondContact O-N 3.4Å |
| 89 | S | 40.2 | Very low | 47.9 | Very low | 80 Ų | 80 | 112.5 Ų | 112.5 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | | | trans | -76.3 | 61.7 | 175.6 | 64 | 0 | 0 | 0 | 0 | 113 | A85 S86 | A85-S89 PolarHBondContact O-N 3.35Å; A85-S89 VanDerWaalsContact O-N 3.09Å; S86-S89 WeakPolarHBondContact CA-OG 3.3Å; S86-S89 PolarHBondContact O-OG 3.13Å |
| 90 | S | 36.6 | Very low | 45.7 | Very low | 89 Ų | 89 | 114.4 Ų | 114.4 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | | | trans | -126.9 | 93.5 | 167.8 | -71.4 | 0 | 0 | 0 | 0 | 108.4 | Q88 S92 | Q88-S90 PolarHBondContact O-N 3.4Å; S90-S92 PolarHBondContact O-N 3.26Å |
| 91 | P | 39.8 | Very low | 43.5 | Very low | 122 Ų | 122 | 113.7 Ų | 113.7 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | | | trans | -72.7 | 91 | 179.2 | 29.4 | -33.5 | 0 | 0 | 0 | 110.2 | S93 | P91-S93 PolarHBondContact O-N 2.97Š|
| 92 | S | 34.3 | Very low | 41.8 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -70.8 | 75.8 | 172.1 | -62.5 | 0 | 0 | 0 | 0 | 111 | S90 S94 | S90-S92 PolarHBondContact O-N 3.26Å; S92-S94 PolarHBondContact O-N 2.91Å |
| 93 | S | 32 | Very low | 39.6 | Very low | 109 Ų | 109 | 117.6 Ų | 117.6 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | -75.1 | 71.1 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | P91 S95 | P91-S93 PolarHBondContact O-N 2.97Å; S93-S95 PolarHBondContact O-N 3.4Å |
| 94 | S | 32 | Very low | 37.7 | Very low | 114 Ų | 114 | 118 Ų | 118 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | -78.8 | 80.7 | 174.3 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | S92 | S92-S94 PolarHBondContact O-N 2.91Š|
| 95 | S | 33.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -91.3 | 107.5 | 166.7 | 56.3 | 0 | 0 | 0 | 0 | 110 | S93 Q97 | S93-S95 PolarHBondContact O-N 3.4Å; S95-Q97 PolarHBondContact O-N 3.28Å |
| 96 | S | 31.2 | Very low | 35.4 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -62.3 | 125.4 | -179 | -50.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 97 | Q | 33.6 | Very low | 34.2 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -130.1 | 131.4 | 156.6 | -87.3 | -171.5 | -12.1 | 0 | 0 | 112.1 | S95 | S95-Q97 PolarHBondContact O-N 3.28Š|
| 98 | T | 28.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -35.1 | 142.1 | 177.3 | 39 | 0 | 0 | 0 | 0 | 117.8 | | |
| 99 | S | 29.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -65.1 | 135.9 | 165.2 | -43.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 100 | T | 32.8 | Very low | 32.2 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -136.7 | 156.7 | 155.2 | 45.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 101 | T | 30.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | | | trans | -108.8 | 145.4 | -159.3 | -50.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 102 | V | 30.7 | Very low | 32 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | | | trans | 37.1 | 128.3 | 164.5 | -61.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 103 | A | 26.3 | Very low | 32.2 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -157.2 | 115.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 104 | S | 29.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -92.1 | 122.3 | 165.2 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 105 | V | 30.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -128.2 | 115.4 | 170.2 | -74.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 106 | T | 33.4 | Very low | 32.4 | Very low | 142 Ų | 142 | 126 Ų | 126 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | | | trans | -112.3 | 103 | -178.9 | 17.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 107 | S | 30.3 | Very low | 32.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -178.1 | 143.6 | 157.6 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 108 | G | 32.3 | Very low | 33 | Very low | 72 Ų | 72 | 123.5 Ų | 123.5 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | cis | -177.5 | 159.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 109 | A | 32.6 | Very low | 33.3 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | | | trans | 55.4 | 116.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 110 | G | 35.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 120.3 Ų | 120.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 172.7 | 73.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 111 | S | 34.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -70.8 | 152.1 | 173 | -146.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 112 | T | 37.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | | | cis | -154.4 | 174.7 | 41.8 | 56 | 0 | 0 | 0 | 0 | 114.7 | | |
| 113 | T | 39.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | trans | 78.6 | 118.4 | 161.8 | 60.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 114 | S | 29 | Very low | 33.9 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | | | trans | -50.1 | 155.3 | 161.2 | -171 | 0 | 0 | 0 | 0 | 112.6 | | |
| 115 | S | 34.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | cis | -163.6 | 159.2 | 47.6 | -51.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 116 | R | 38.2 | Very low | 34.4 | Very low | 211 Ų | 211 | 119 Ų | 119 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | | | trans | -76.8 | 156.4 | 159.3 | -79.7 | -175 | 168.8 | -160.5 | -2 | 111.1 | | |
| 117 | P | 41.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 117 Ų | 117 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | | -117.6 | 146.4 | 93.2 | -3.1 | 23.4 | 0 | 0 | 0 | 111.4 | | |
| 118 | L | 36.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | | 68 | 70 | 54.5 | -62.4 | -178.5 | 0 | 0 | 0 | 114.8 | | |
| 119 | G | 33.2 | Very low | 35.3 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | 38.2 | 131.5 | 133.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 120 | A | 31.9 | Very low | 35.8 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -143.6 | 155.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 121 | S | 33.3 | Very low | 36 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -73.3 | 138.9 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 112 | | |
| 122 | A | 34.1 | Very low | 36.6 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -106.1 | 79.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S124 | A122-S124 PolarHBondContact O-N 3.25Š|
| 123 | T | 33.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -67.6 | 111.2 | 165.3 | 47 | 0 | 0 | 0 | 0 | 109.4 | T125 | T123-T125 PolarHBondContact O-N 3.36Š|
| 124 | S | 30.6 | Very low | 36.9 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -71.9 | 113.6 | -176.1 | -173 | 0 | 0 | 0 | 0 | 112.3 | A122 | A122-S124 PolarHBondContact O-N 3.25Š|
| 125 | T | 37 | Very low | 37.6 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | trans | -113.2 | 114.4 | 161.8 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | T123 S127 | T123-T125 PolarHBondContact O-N 3.36Å; T125-S127 PolarHBondContact O-N 2.85Å |
| 126 | L | 33.7 | Very low | 38 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -72.9 | 89.4 | -173.9 | -179.4 | 63.9 | 0 | 0 | 0 | 111.7 | Q128 | L126-Q128 PolarHBondContact O-N 2.84Š|
| 127 | S | 33.8 | Very low | 38.7 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -72.1 | 118.5 | 164.7 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | T125 S129 | T125-S127 PolarHBondContact O-N 2.85Å; S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.24Å |
| 128 | Q | 39.4 | Very low | 38.8 | Very low | 186 Ų | 186 | 117 Ų | 117 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | trans | -75.3 | 78.3 | 171 | -71.3 | -158.6 | 96.5 | 0 | 0 | 111.1 | L126 V130 | L126-Q128 PolarHBondContact O-N 2.84Å; Q128-V130 PolarHBondContact O-N 3.25Å |
| 129 | S | 40.5 | Very low | 39.5 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | | | trans | -79.1 | 105.2 | 169.6 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | S127 L131 | S127-S129 VanDerWaalsContact C-N 3.27Å; S127-S129 PolarHBondContact O-N 3.24Å; S129-L131 PolarHBondContact O-N 2.76Å |
| 130 | V | 45 | Very low | 40.2 | Very low | 125 Ų | 125 | 119 Ų | 119 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | | | trans | -68.6 | 111 | 170.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | Q128 L132 | Q128-V130 PolarHBondContact O-N 3.25Å; V130-L132 HydrophobicContact CG1-CD1 3.81Å; V130-L132 PolarHBondContact O-N 2.96Å; V130-L132 VanDerWaalsContact O-N 3.13Å |
| 131 | L | 39.2 | Very low | 40.9 | Very low | 149 Ų | 149 | 121 Ų | 121 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 95.5 | 176.8 | -73.8 | 168.3 | 0 | 0 | 0 | 110.8 | S129 S133 | S129-L131 PolarHBondContact O-N 2.76Å; L131-S133 PolarHBondContact O-N 2.96Å |
| 132 | L | 47.1 | Very low | 41.5 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | -79.6 | 93.4 | 159.9 | -95.7 | 69.4 | 0 | 0 | 0 | 109 | V130 G134 | V130-L132 HydrophobicContact CG1-CD1 3.81Å; V130-L132 PolarHBondContact O-N 2.96Å; V130-L132 VanDerWaalsContact O-N 3.13Å; L132-G134 PolarHBondContact O-N 3.04Å |
| 133 | S | 38.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -69.2 | 89.6 | 173.3 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | L131 | L131-S133 PolarHBondContact O-N 2.96Š|
| 134 | G | 44.3 | Very low | 43.1 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -94.4 | 92.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L132 | L132-G134 PolarHBondContact O-N 3.04Š|
| 135 | A | 44.2 | Very low | 44.5 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | trans | -100.7 | 92.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 136 | T | 42.3 | Very low | 44.9 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -168.4 | 148.3 | 149.4 | 12.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 137 | G | 51.6 | Low | 45.3 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | | | trans | -79 | 135.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 138 | G | 43.8 | Very low | 45.9 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | -178.1 | 128.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G140 | G138-G140 PolarHBondContact O-N 3.41Š|
| 139 | Q | 51.6 | Low | 46 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 121.2 | 176.7 | -69.8 | -75.4 | 10 | 0 | 0 | 109.9 | | |
| 140 | G | 47.2 | Very low | 46.3 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -173.9 | 49.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G138 M142 | G138-G140 PolarHBondContact O-N 3.41Å; G140-M142 VanDerWaalsContact C-N 3.33Å; G140-M142 PolarHBondContact O-N 3.22Å |
| 141 | Q | 47.3 | Very low | 46.4 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -71.2 | 79.6 | 178.5 | -71.6 | -75.8 | 40.8 | 0 | 0 | 112.9 | Y143 | Q141-Y143 HydrophobicContact CB-CD2 4.19Å; Q141-Y143 HydrophobicContact CB-CE2 3.8Å; Q141-Y143 HydrophobicContact CG-CE2 4.49Å; Q141-Y143 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y143 PolarHBondContact O-N 2.9Å |
| 142 | M | 46.4 | Very low | 46.7 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | | | trans | -78 | 85.1 | 171.4 | -165.2 | -167 | -58.7 | 0 | 0 | 110.7 | G140 L144 | G140-M142 VanDerWaalsContact C-N 3.33Å; G140-M142 PolarHBondContact O-N 3.22Å; M142-L144 HydrophobicContact CG-CD1 4.17Å; M142-L144 PolarHBondContact O-N 3.47Å; M142-L144 HydrophobicContact SD-CD1 3.87Å |
| 143 | Y | 49.9 | Very low | 46.5 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -65.2 | 93.9 | 174.2 | -71.2 | -82.1 | 0 | 0 | 0 | 111.8 | Q141 R145 | Q141-Y143 HydrophobicContact CB-CD2 4.19Å; Q141-Y143 HydrophobicContact CB-CE2 3.8Å; Q141-Y143 HydrophobicContact CG-CE2 4.49Å; Q141-Y143 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y143 PolarHBondContact O-N 2.9Å; Y143-R145 VanDerWaalsContact C-N 3.31Å; Y143-R145 PolarHBondContact O-N 2.9Å |
| 144 | L | 52.4 | Low | 46.5 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | | | trans | -63.4 | 94.4 | 161.5 | -98.5 | 69.2 | 0 | 0 | 0 | 108.8 | M142 V146 | M142-L144 HydrophobicContact CG-CD1 4.17Å; M142-L144 PolarHBondContact O-N 3.47Å; M142-L144 HydrophobicContact SD-CD1 3.87Å; L144-V146 HydrophobicContact CB-CG2 4.33Å; L144-V146 PolarHBondContact O-N 3.35Å |
| 145 | R | 58.8 | Low | 46.2 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | trans | -72.6 | 69.1 | 173.8 | -167.6 | -171.9 | -65.6 | -167.9 | 0.2 | 110 | Y143 N147 | Y143-R145 VanDerWaalsContact C-N 3.31Å; Y143-R145 PolarHBondContact O-N 2.9Å; R145-N147 PolarHBondContact O-N 3.02Å |
| 146 | V | 45 | Very low | 45.8 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | | | trans | -64 | 99.5 | 171.6 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | L144 R148 | L144-V146 HydrophobicContact CB-CG2 4.33Å; L144-V146 PolarHBondContact O-N 3.35Å; V146-R148 HydrophobicContact CG1-CB 4.31Å; V146-R148 PolarHBondContact O-N 3.33Å |
| 147 | N | 42.9 | Very low | 45.7 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -77.9 | 59.6 | -174.6 | -159.9 | -3.1 | 0 | 0 | 0 | 111.2 | R145 S149 | R145-N147 PolarHBondContact O-N 3.02Å; N147-S149 PolarHBondContact O-N 3.3Å |
| 148 | R | 46.9 | Very low | 45.1 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | | | trans | -81.9 | 101.4 | 178.1 | -152.2 | 173.4 | -163.3 | 133.4 | 2.7 | 107.2 | V146 L150 | V146-R148 HydrophobicContact CG1-CB 4.31Å; V146-R148 PolarHBondContact O-N 3.33Å; R148-L150 PolarHBondContact O-N 2.93Å |
| 149 | S | 40.8 | Very low | 44.7 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -59.4 | 100.2 | -179.6 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | N147 R151 | N147-S149 PolarHBondContact O-N 3.3Å; S149-R151 PolarHBondContact O-N 2.87Å |
| 150 | L | 45.9 | Very low | 44 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -78.1 | 76.5 | 176.5 | -70 | 177.7 | 0 | 0 | 0 | 109.4 | R148 | R148-L150 PolarHBondContact O-N 2.93Š|
| 151 | R | 47.3 | Very low | 43.7 | Very low | 224 Ų | 224 | 153.3 Ų | 153.3 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 123.9 | 155.7 | -170.8 | -179.3 | -167.2 | 173.9 | 5 | 106.6 | S149 | S149-R151 PolarHBondContact O-N 2.87Š|
| 152 | P | 46.5 | Very low | 43.4 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.7 | -175.6 | 23 | -33.2 | 0 | 0 | 0 | 109.8 | M154 | P152-M154 PolarHBondContact O-N 2.78Š|
| 153 | P | 42.7 | Very low | 42.8 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 125.5 | 169 | 27 | -32.3 | 0 | 0 | 0 | 107.7 | S155 | P153-S155 PolarHBondContact O-N 3.37Š|
| 154 | M | 38.8 | Very low | 42.3 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 135.7 | 171.6 | 52.4 | -173.5 | 61.6 | 0 | 0 | 109.5 | P152 | P152-M154 PolarHBondContact O-N 2.78Š|
| 155 | S | 37.3 | Very low | 41.4 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.4 | 176.1 | 42.1 | 0 | 0 | 0 | 0 | 109.4 | P153 Q157 | P153-S155 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact O-N 2.91Å |
| 156 | P | 37.2 | Very low | 40.2 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -68.9 | 87.7 | 168.6 | 29.3 | -32.7 | 0 | 0 | 0 | 107.6 | L158 | P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 2.95Å |
| 157 | Q | 38.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -60.8 | 103.4 | 164.5 | -76.6 | -170.9 | -12.7 | 0 | 0 | 106.8 | S155 I159 | S155-Q157 PolarHBondContact O-N 2.91Å; Q157-I159 PolarHBondContact O-N 2.82Å |
| 158 | L | 39.2 | Very low | 38.9 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -54.8 | 112.7 | 164.2 | -65.8 | 169.9 | 0 | 0 | 0 | 106.4 | P156 F160 | P156-L158 VanDerWaalsContact C-N 3.33Å; P156-L158 PolarHBondContact O-N 2.95Å; L158-F160 HydrophobicContact CB-CD2 4.26Å; L158-F160 HydrophobicContact CD1-CD2 4.42Å; L158-F160 PolarHBondContact O-N 3.45Å |
| 159 | I | 35.1 | Very low | 38.1 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | -73.7 | 70.9 | 163.2 | -56.7 | -179.3 | 0 | 0 | 0 | 106.3 | Q157 M161 | Q157-I159 PolarHBondContact O-N 2.82Å; I159-M161 PolarHBondContact O-N 2.83Å; I159-M161 VanDerWaalsContact O-N 3.11Å |
| 160 | F | 37.2 | Very low | 37.5 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | | | trans | -66 | 102.6 | 159.5 | -120.1 | -83.8 | 0 | 0 | 0 | 105.4 | L158 | L158-F160 HydrophobicContact CB-CD2 4.26Å; L158-F160 HydrophobicContact CD1-CD2 4.42Å; L158-F160 PolarHBondContact O-N 3.45Å |
| 161 | M | 42.3 | Very low | 36.8 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 125.9 | 161.7 | -65.5 | -178.8 | 68.9 | 0 | 0 | 106.6 | I159 G163 | I159-M161 PolarHBondContact O-N 2.83Å; I159-M161 VanDerWaalsContact O-N 3.11Å; M161-G163 PolarHBondContact O-N 3.01Å; M161-G163 VanDerWaalsContact O-N 3.07Å |
| 162 | P | 41.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 117 | -177.2 | 24.4 | -32.8 | 0 | 0 | 0 | 109 | | |
| 163 | G | 33.3 | Very low | 35 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M161 | M161-G163 PolarHBondContact O-N 3.01Å; M161-G163 VanDerWaalsContact O-N 3.07Å |
| 164 | S | 38.6 | Very low | 34.3 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.3 | 162.4 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 165 | T | 34.6 | Very low | 33.7 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | | | trans | -158.5 | 144.5 | 156.6 | -68.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 166 | A | 32.3 | Very low | 33.2 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -104.9 | 157.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 167 | T | 29.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | | | trans | -132.4 | 146.6 | 152.5 | -58.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 168 | A | 30.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | -119 | 156.5 | -153.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 169 | A | 30.6 | Very low | 32.3 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | 67.5 | 156.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 170 | V | 29.3 | Very low | 32 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | cis | -131 | 168.8 | 11.1 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 171 | A | 29.4 | Very low | 31.5 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | | | trans | -26.7 | 157.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 172 | T | 28.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | cis | -148.8 | 159.2 | 43.1 | 48.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 173 | V | 28.5 | Very low | 30.5 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -110.2 | 130.9 | 151.1 | 158.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 174 | A | 27.8 | Very low | 30.1 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -154.4 | 120.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 175 | Q | 25.9 | Very low | 29.7 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | 63.4 | 133.9 | 159.3 | -61.5 | 158.1 | 2.7 | 0 | 0 | 116.2 | | |
| 176 | Q | 26.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | | 60.1 | 145.4 | 57.8 | -90.2 | -166.5 | -28.1 | 0 | 0 | 115 | | |
| 177 | P | 41.3 | Very low | 30 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | | | cis | -136.8 | 176.3 | -9 | 39.5 | -21.1 | 0 | 0 | 0 | 116.4 | | |
| 178 | Q | 27.1 | Very low | 29.8 | Very low | 176 Ų | 176 | 131.7 Ų | 131.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | 30.8 | 132.4 | 147.1 | -65.3 | 165.5 | -91.3 | 0 | 0 | 122.9 | | |
| 179 | S | 28.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | -174.4 | 122.8 | 118.2 | 32.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 180 | Q | 28.2 | Very low | 29.5 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 48.7 | 118.2 | 136.1 | -56.2 | -159.8 | 38.2 | 0 | 0 | 125.5 | | |
| 181 | Q | 27.1 | Very low | 29.3 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | | 81.1 | 141.5 | 124.5 | -69.2 | -164.1 | 59.2 | 0 | 0 | 124.9 | | |
| 182 | Q | 29.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | 65.5 | 113.2 | 159.5 | -66.8 | 165.7 | 50.2 | 0 | 0 | 117.3 | | |
| 183 | Q | 32.8 | Very low | 29.1 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | | 86.1 | 109.8 | 65.9 | -173.1 | 165.9 | -3.2 | 0 | 0 | 111.4 | | |
| 184 | E | 26.3 | Very low | 29.1 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | | -168.2 | 128.4 | 91.7 | 179.3 | 163.5 | 102.6 | 0 | 0 | 115.3 | | |
| 185 | V | 30.1 | Very low | 29 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | 44.8 | 91.7 | 141.1 | -173.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 186 | T | 26.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | | 54.1 | 164.8 | 128.9 | 64.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 187 | P | 45.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | | | cis | -137.9 | -169 | -31.8 | 35.7 | -15.8 | 0 | 0 | 0 | 115 | | |
| 188 | A | 24.8 | Very low | 29.2 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | 79.4 | 133.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 189 | S | 27.6 | Very low | 29.6 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -156.5 | 158.9 | -1.4 | -97.5 | 0 | 0 | 0 | 0 | 113 | | |
| 190 | S | 27 | Very low | 30 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 45.5 | 105 | 157.2 | 57.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 191 | S | 25.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | | 89.8 | 108.5 | 53.6 | 72.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 192 | S | 27.4 | Very low | 30.8 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | 174.7 | 139.2 | 136.8 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 193 | G | 26.2 | Very low | 30.9 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | 143.6 | 132.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 194 | G | 28.1 | Very low | 31.4 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 88.6 | 131.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 195 | Q | 27 | Very low | 31.8 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | cis | 62.8 | 133.6 | 45.2 | -62.6 | -166.9 | -107.6 | 0 | 0 | 113.5 | | |
| 196 | S | 34.3 | Very low | 32.2 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | cis | -165.8 | 172 | -6.1 | -104 | 0 | 0 | 0 | 0 | 109 | | |
| 197 | D | 31.6 | Very low | 32.7 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 58.1 | 132.4 | 160.9 | -72.8 | -134.3 | 0 | 0 | 0 | 120.5 | | |
| 198 | N | 31.2 | Very low | 32 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | 172.9 | 175.8 | 95.5 | -153.5 | -9.9 | 0 | 0 | 0 | 111 | | |
| 199 | D | 36 | Very low | 32.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | | | trans | -82.1 | 158.4 | -163.8 | -93.3 | -69.3 | 0 | 0 | 0 | 118.7 | | |
| 200 | Q | 37.8 | Very low | 32.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | 26.8 | 118.7 | 142.1 | -52 | -80.6 | -9.9 | 0 | 0 | 120 | | |
| 201 | A | 33 | Very low | 33 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | | 174.3 | 148.6 | 121 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 202 | Q | 37.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 58.6 | 139.8 | 146.4 | -113.4 | 63.4 | -3.7 | 0 | 0 | 125.7 | | |
| 203 | N | 32.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 63.7 | 117.6 | 161.8 | -68.7 | -59.4 | 0 | 0 | 0 | 118.6 | | |
| 204 | L | 43.6 | Very low | 35.2 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | cis | 91.5 | 97.4 | 37.9 | -174 | 74.2 | 0 | 0 | 0 | 114.1 | | |
| 205 | A | 34.8 | Very low | 35.4 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | -158.4 | 74.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 206 | I | 38 | Very low | 35.5 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 28.9 | 141.4 | 147 | -25.2 | -177.4 | 0 | 0 | 0 | 121.8 | | |
| 207 | R | 36.3 | Very low | 35.1 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | trans | 86.8 | 112.6 | 162.6 | -49.1 | -177.7 | -172.6 | -150 | -0.3 | 115.8 | | |
| 208 | G | 31.1 | Very low | 35.2 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | cis | 106 | 112.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 209 | V | 32.9 | Very low | 35.1 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -157.3 | 124.5 | 150.8 | -97.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 210 | T | 33.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 36 | 145.2 | 145.3 | 61.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 211 | S | 34.8 | Very low | 34.3 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | -175.4 | 137.9 | -21.9 | -99.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 212 | P | 53.3 | Low | 35 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -104.5 | 175 | 177.1 | 39.8 | -35.1 | 0 | 0 | 0 | 114.1 | | |
| 213 | K | 35.1 | Very low | 34.8 | Very low | 209 Ų | 209 | 132.8 Ų | 132.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | | | trans | -145.3 | 134.2 | 153.3 | -100.5 | 174.5 | 175.1 | 175.6 | 0 | 106.9 | | |
| 214 | G | 37.5 | Very low | 34.8 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | cis | 96.2 | 137.4 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 215 | V | 31 | Very low | 34.4 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | cis | -147.4 | 143.2 | 13.6 | 170.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 216 | G | 30.2 | Very low | 34.2 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | | 64.8 | 116.8 | 90.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 217 | V | 26.6 | Very low | 33.9 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | cis | 123 | 105.9 | 46.9 | 148.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 218 | K | 31.9 | Very low | 33.6 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 55.4 | 127 | 135.4 | -160.7 | -162.3 | -178.5 | -171.2 | 0 | 120.4 | | |
| 219 | T | 29.8 | Very low | 33.6 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | | | | 161.5 | 159.1 | 116.1 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 220 | E | 24 | Very low | 33.4 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | 89.1 | 142.3 | 155.3 | -136.5 | 159.9 | 114.6 | 0 | 0 | 122.3 | | |
| 221 | A | 32.2 | Very low | 33.1 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -150.7 | 150.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | | |
| 222 | P | 48 | Very low | 32.8 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | | -149.8 | -173.2 | 51.7 | 41.6 | -19.9 | 0 | 0 | 0 | 117.4 | | |
| 223 | D | 32.8 | Very low | 31.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | 14.9 | 131.7 | 157.2 | -70.6 | -102.4 | 0 | 0 | 0 | 124.3 | | |
| 224 | R | 33.6 | Very low | 31.5 | Very low | 232 Ų | 232 | 133 Ų | 133 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | | -154.1 | 130.7 | 120.3 | -78 | -144.1 | 170.6 | 96.8 | 3.2 | 110.1 | | |
| 225 | T | 34.9 | Very low | 31.9 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | | 68 | 124.7 | 81.4 | -36.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 226 | D | 31.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | cis | -158.1 | 173.5 | 23.3 | -155.1 | -104.9 | 0 | 0 | 0 | 115.5 | | |
| 227 | S | 30.3 | Very low | 32 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | 92.6 | 132.2 | 142.5 | -95.7 | 0 | 0 | 0 | 0 | 125.9 | | |
| 228 | A | 31.6 | Very low | 32.9 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | 70.6 | 144.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 229 | S | 31 | Very low | 32.7 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | -172.3 | 145.5 | -32.1 | -107.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 230 | Y | 28.4 | Very low | 32.7 | Very low | 209 Ų | 209 | 133.4 Ų | 133.4 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | | | trans | 18.8 | 116 | 158.5 | -71.4 | -91.9 | 0 | 0 | 0 | 120.4 | | |
| 231 | S | 27 | Very low | 33.3 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | | 89 | 122.1 | 72.4 | -67.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 232 | L | 29.1 | Very low | 33.2 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | | | trans | -144.3 | 157.4 | 149.9 | -173.4 | 58 | 0 | 0 | 0 | 108.7 | | |
| 233 | V | 30.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | | | trans | -135 | 143 | -158.1 | 170.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 234 | Q | 30.5 | Very low | 32.8 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | 70.4 | 160.4 | 163.4 | -86 | 176.8 | -23.9 | 0 | 0 | 119.6 | | |
| 235 | P | 44.2 | Very low | 32.6 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | cis | -125.4 | 130.8 | -1.1 | 30.3 | -10.6 | 0 | 0 | 0 | 117.3 | | |
| 236 | S | 29.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 131 Ų | 131 | 50% | 0.503 | 76% | 0.764 | S | S | . | * | | | | 40.3 | 115.8 | 123.2 | -47.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 237 | H | 34.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 56.5 | 160.2 | 132 | 63.8 | -152.9 | 0 | 0 | 0 | 122.9 | | |
| 238 | P | 45.9 | Very low | 32.6 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | cis | -109 | -147.2 | -6.4 | 21.7 | 3.7 | 0 | 0 | 0 | 110.4 | | |
| 239 | S | 28.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -157.2 | 163 | 10.3 | -54.8 | 0 | 0 | 0 | 0 | 112 | | |
| 240 | T | 29.2 | Very low | 33.3 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | -137.4 | 162.5 | 152 | 55.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 241 | P | 37.4 | Very low | 33.9 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | | -155.7 | 163.2 | 101.9 | 39.7 | -21 | 0 | 0 | 0 | 118.3 | | |
| 242 | Q | 28.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 63.6 | 102.9 | 142.7 | -73.7 | 172.7 | -25 | 0 | 0 | 123.7 | | |
| 243 | S | 29.3 | Very low | 35.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | | 72.1 | 178.7 | 119.2 | -48 | 0 | 0 | 0 | 0 | 118.8 | | |
| 244 | P | 43.2 | Very low | 35.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | -136.3 | -164 | -87.3 | 43.2 | -25.5 | 0 | 0 | 0 | 114.8 | | |
| 245 | S | 30.2 | Very low | 35.7 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | 107.4 | 165.7 | 157.7 | 83.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 246 | K | 31 | Very low | 35.4 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -124.8 | 142.2 | -155 | -176.1 | 179.7 | 179.5 | 179.2 | 0 | 109 | | |
| 247 | P | 36.3 | Very low | 35.8 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -64.7 | 145.3 | -167.3 | 23.7 | -35 | 0 | 0 | 0 | 114.3 | | |
| 248 | S | 29.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -114.3 | 129.5 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 249 | P | 42.8 | Very low | 34.9 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 137 | 170.5 | -11.9 | 28.8 | 0 | 0 | 0 | 112 | | |
| 250 | Q | 34.4 | Very low | 35.8 | Very low | 182 Ų | 182 | 142.8 Ų | 142.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145.7 | 173.6 | -65 | 176 | -63.4 | 0 | 0 | 112.1 | | |
| 251 | P | 40.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 147.2 | 164.7 | 33.3 | -33.3 | 0 | 0 | 0 | 111.4 | | |
| 252 | P | 43.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 146.2 | 179.9 | 31 | -34.9 | 0 | 0 | 0 | 113.2 | | |
| 253 | H | 36.5 | Very low | 36.5 | Very low | 184 Ų | 184 | 143.4 Ų | 143.4 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 127.8 | 179.8 | -64.4 | -101.4 | 0 | 0 | 0 | 112.6 | | |
| 254 | I | 41.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 127.8 | 167.4 | -62.8 | 177.4 | 0 | 0 | 0 | 109.1 | | |
| 255 | K | 33.6 | Very low | 36.2 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83 | 128.3 | 175.6 | -63.5 | 177.5 | -179 | 177.9 | 0 | 109.7 | P257 | K255-P257 WeakPolarHBondContact O-CD 3.49Š|
| 256 | I | 37.6 | Very low | 36.2 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89 | 121.8 | 175.3 | -58.7 | 170.4 | 0 | 0 | 0 | 108.8 | | |
| 257 | P | 37.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 125.4 | 170.7 | -15.2 | 31.4 | 0 | 0 | 0 | 111.3 | K255 | K255-P257 WeakPolarHBondContact O-CD 3.49Š|
| 258 | T | 34.6 | Very low | 35.9 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 135.4 | 170.2 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 259 | Y | 27.9 | Very low | 36.4 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -111.5 | 133.3 | 171.7 | -148.8 | -87.3 | 0 | 0 | 0 | 110.1 | | |
| 260 | P | 46.7 | Very low | 35.9 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 143.5 | -175.8 | 30.1 | -34.9 | 0 | 0 | 0 | 112.9 | | |
| 261 | Q | 31.5 | Very low | 35.9 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 129.5 | 176.5 | -177.9 | -171.4 | 37.9 | 0 | 0 | 110.8 | | |
| 262 | P | 40.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 143.6 | 166.4 | 32.4 | -32.3 | 0 | 0 | 0 | 111.3 | | |
| 263 | T | 38.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 161.9 | -173.2 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 264 | N | 29.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 126.6 | -169.4 | -165.5 | -54.8 | 0 | 0 | 0 | 112 | | |
| 265 | L | 36.3 | Very low | 34.4 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | -141.8 | 116.9 | 173.9 | -77.6 | 179.3 | 0 | 0 | 0 | 113.8 | | |
| 266 | K | 30.2 | Very low | 34.3 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | | | trans | 48.8 | 118.3 | 145.1 | -158.9 | 69.8 | 61.3 | 174.7 | 0 | 119.5 | | |
| 267 | A | 29.7 | Very low | 34.1 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | trans | -91.5 | 147.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 268 | H | 30.3 | Very low | 33.9 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -145 | 134.8 | 160 | -79.3 | -85.8 | 0 | 0 | 0 | 109.3 | | |
| 269 | P | 41.4 | Very low | 33.8 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | trans | -92.9 | 135.3 | 174.6 | 34.5 | -30.8 | 0 | 0 | 0 | 111.7 | | |
| 270 | V | 32.7 | Very low | 34.1 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -137.9 | 135.3 | 165.3 | -73.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 271 | S | 32.9 | Very low | 33.4 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -93.2 | 138 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 272 | S | 32.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -143.5 | 115.1 | 166.6 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 273 | S | 34.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | | | trans | -74.8 | 133.1 | 170.6 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 274 | G | 31.3 | Very low | 33.1 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | | | trans | -151.8 | 137.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 275 | A | 32.5 | Very low | 33.7 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -115.1 | 157.7 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 276 | S | 31.6 | Very low | 34.7 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | 64.6 | 105.4 | 153 | -57.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 277 | S | 33.6 | Very low | 35.7 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | | -156.8 | 140.7 | 121.6 | -0.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 278 | S | 32.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 140.1 | -174.3 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 279 | S | 33.1 | Very low | 37.2 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -153.8 | 94.5 | 163.1 | -79.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 280 | S | 33 | Very low | 37.6 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -82.9 | 126.5 | -180 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 281 | S | 33.7 | Very low | 38.3 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -149.8 | 78.7 | 171.8 | -76 | 0 | 0 | 0 | 0 | 110.5 | T283 | S281-T283 PolarHBondContact O-N 3.08Š|
| 282 | S | 31 | Very low | 39.1 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -85.6 | 94.9 | -173.3 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | S284 | S282-S284 PolarHBondContact O-N 3.34Å; S282-S284 VanDerWaalsContact O-N 3.09Å |
| 283 | T | 34.1 | Very low | 40.1 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -81.1 | 75.3 | 171.2 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | S281 S285 | S281-T283 PolarHBondContact O-N 3.08Å; T283-S285 PolarHBondContact O-N 3.34Å; T283-S285 VanDerWaalsContact O-N 3.15Å |
| 284 | S | 38.4 | Very low | 40.3 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -70.4 | 106.6 | 178.9 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | S282 I286 | S282-S284 PolarHBondContact O-N 3.34Å; S282-S284 VanDerWaalsContact O-N 3.09Å; S284-I286 PolarHBondContact O-N 2.85Å |
| 285 | S | 40.9 | Very low | 40.9 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -79 | 95.6 | 174.6 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | T283 | T283-S285 PolarHBondContact O-N 3.34Å; T283-S285 VanDerWaalsContact O-N 3.15Å |
| 286 | I | 57.3 | Low | 41.3 | Very low | 125 Ų | 125 | 121 Ų | 121 | 64% | 0.641 | 76% | 0.755 | S | S | * | * | | | trans | -76.6 | 127.3 | 177.8 | -59.1 | 173 | 0 | 0 | 0 | 110.1 | S284 L288 | S284-I286 PolarHBondContact O-N 2.85Å; I286-L288 PolarHBondContact O-N 3.45Å |
| 287 | P | 51.3 | Low | 41.8 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 49% | 0.487 | 76% | 0.757 | S | S | . | * | | | trans | -68.4 | 128.8 | 172.5 | 27.9 | -33.3 | 0 | 0 | 0 | 110.7 | S289 Q290 | P287-S289 PolarHBondContact O-N 2.85Å; P287-Q290 PolarHBondContact O-N 3.41Å; P287-Q290 VanDerWaalsContact O-N 3.14Å |
| 288 | L | 48.8 | Very low | 41.7 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -54.5 | -24.3 | -170.5 | -129.5 | 157 | 0 | 0 | 0 | 114 | I286 Q290 L291 | I286-L288 PolarHBondContact O-N 3.45Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.88Å; L288-L291 PolarHBondContact O-N 2.9Å |
| 289 | S | 44.2 | Very low | 41.7 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -58.2 | -26.3 | 177.3 | -39.4 | 0 | 0 | 0 | 0 | 115.3 | P287 | P287-S289 PolarHBondContact O-N 2.85Š|
| 290 | Q | 48.1 | Very low | 41.8 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -94.8 | -13.1 | -174.5 | -64.7 | -162.5 | 29.9 | 0 | 0 | 114.8 | P287 L288 H294 | P287-Q290 PolarHBondContact O-N 3.41Å; P287-Q290 VanDerWaalsContact O-N 3.14Å; L288-Q290 VanDerWaalsContact C-N 3.26Å; L288-Q290 PolarHBondContact O-N 2.88Å; Q290-H294 PolarHBondContact O-ND1 3.31Å |
| 291 | L | 48.8 | Very low | 41.7 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -77.8 | -23.2 | -175.7 | -171 | 59.3 | 0 | 0 | 0 | 113.1 | L288 L293 | L288-L291 PolarHBondContact O-N 2.9Å; L291-L293 VanDerWaalsContact C-N 3.28Å; L291-L293 PolarHBondContact O-N 3.48Å |
| 292 | L | 49.6 | Very low | 41.6 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -76.2 | -5.9 | -179.4 | -81 | 117 | 0 | 0 | 0 | 115.1 | | |
| 293 | L | 53.4 | Low | 41.7 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -116 | -3.4 | -170.1 | -123.8 | 70.5 | 0 | 0 | 0 | 115.9 | L291 | L291-L293 VanDerWaalsContact C-N 3.28Å; L291-L293 PolarHBondContact O-N 3.48Å |
| 294 | H | 39.2 | Very low | 41.7 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | | | trans | -127.3 | 93.5 | -173 | -63.5 | 110.5 | 0 | 0 | 0 | 112.4 | Q290 | Q290-H294 PolarHBondContact O-ND1 3.31Š|
| 295 | G | 43.1 | Very low | 41.2 | Very low | 67 Ų | 67 | 129 Ų | 129 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | -71.9 | 135.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 296 | T | 41.4 | Very low | 41.5 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | | | trans | 28.5 | 91 | 153.8 | 55.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 297 | R | 41.7 | Very low | 40.1 | Very low | 227 Ų | 227 | 129.7 Ų | 129.7 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -115.2 | 99 | 161 | -151.2 | 178.6 | -154.5 | -84.6 | 2.6 | 109.7 | | |
| 298 | T | 33 | Very low | 39.1 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 140.2 | 170.4 | 31.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 299 | L | 31.5 | Very low | 38.2 | Very low | 168 Ų | 168 | 129 Ų | 129 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | | | trans | -94.7 | 113.7 | 175.2 | -71.6 | 167.6 | 0 | 0 | 0 | 109.3 | | |
| 300 | T | 34.5 | Very low | 37.8 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | | | trans | -121.9 | 144.8 | 163.4 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 301 | T | 32.7 | Very low | 37 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -94.6 | 109.1 | -165.4 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 302 | G | 31.2 | Very low | 36.2 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 54.6 | 120.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 303 | T | 32 | Very low | 35.4 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | | | | -166.9 | 146.8 | 117.6 | 30.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 304 | T | 34.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | 20.3 | 136.7 | 159.1 | 48.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 305 | A | 28.6 | Very low | 34 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -85.2 | -173.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 306 | P | 46.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | | | cis | -138.3 | -164.6 | 2.2 | 43.4 | -24.4 | 0 | 0 | 0 | 115.8 | | |
| 307 | T | 28.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | 105.1 | 148.3 | 163.5 | -41 | 0 | 0 | 0 | 0 | 115.9 | | |
| 308 | A | 30.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -107.5 | 153.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 309 | A | 30.2 | Very low | 32 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -154.5 | 156.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 310 | H | 34.3 | Very low | 32.1 | Very low | 185 Ų | 185 | 126.3 Ų | 126.3 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -82.9 | 131.3 | 179.9 | -65.8 | -109.3 | 0 | 0 | 0 | 111.4 | L312 | H310-L312 PolarHBondContact O-N 3.17Š|
| 311 | A | 32.4 | Very low | 31.8 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | -84.1 | 100.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 312 | L | 32.2 | Very low | 31.7 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | trans | -77.7 | 138.4 | 170.2 | -72.6 | 170.2 | 0 | 0 | 0 | 110.8 | H310 L314 | H310-L312 PolarHBondContact O-N 3.17Å; L312-L314 PolarHBondContact O-N 2.97Å |
| 313 | V | 31.7 | Very low | 31.6 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | -76.2 | 112.3 | 171.7 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 314 | L | 30.8 | Very low | 31.4 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -102.3 | 105.6 | 175.7 | -94.8 | 161.9 | 0 | 0 | 0 | 110.9 | L312 | L312-L314 PolarHBondContact O-N 2.97Š|
| 315 | T | 33 | Very low | 31.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | -91.9 | 121.6 | 164.6 | 54.1 | 0 | 0 | 0 | 0 | 109 | | |
| 316 | S | 29.3 | Very low | 32.4 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -130.3 | 115 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 112 | | |
| 317 | N | 29.4 | Very low | 31.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | -77.2 | 149.9 | 163.9 | -62.6 | 3.9 | 0 | 0 | 0 | 108.9 | | |
| 318 | A | 31 | Very low | 32.1 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -146.1 | 135.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 319 | T | 28.7 | Very low | 32.3 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -141.6 | 119.1 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 320 | S | 31.8 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -173.2 | 154.1 | 155.2 | -89.1 | 0 | 0 | 0 | 0 | 115 | | |
| 321 | Q | 28.6 | Very low | 32.5 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -76.9 | 172.1 | 167.4 | -63.4 | -80.4 | 15.7 | 0 | 0 | 110.1 | | |
| 322 | A | 30.1 | Very low | 32.7 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 57% | 0.57 | 80% | 0.804 | S | S | * | * | | | cis | -170.2 | 170.3 | -21.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 323 | H | 28.9 | Very low | 32.6 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | 57.9 | 120.3 | 158 | -87.4 | -77 | 0 | 0 | 0 | 121.8 | | |
| 324 | G | 29.3 | Very low | 32.7 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 179.5 | 119.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 325 | Y | 30.6 | Very low | 32.7 | Very low | 212 Ų | 212 | 130.9 Ų | 130.9 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -110.4 | 170.9 | 176 | -76.3 | -82.2 | 0 | 0 | 0 | 109.7 | | |
| 326 | P | 52.4 | Low | 33 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | | -135.9 | 172.3 | -52.6 | 39.2 | -24.1 | 0 | 0 | 0 | 112.5 | | |
| 327 | V | 34.2 | Very low | 33.2 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | | | trans | -173 | 144.8 | 137.8 | 137.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 328 | G | 33.7 | Very low | 33.5 | Very low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 80% | 0.799 | S | S | * | * | | | trans | -120 | 154.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 329 | T | 35.5 | Very low | 33.8 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | | | trans | -159.1 | 161.5 | 148.3 | 3.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 330 | A | 34.4 | Very low | 34.6 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -78.8 | 145.6 | -159.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 331 | T | 34.3 | Very low | 34.9 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | | | trans | -133.6 | 134.3 | 162.8 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 332 | I | 36.1 | Very low | 35.6 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | -90.5 | 128.5 | -179.8 | -62 | 172.1 | 0 | 0 | 0 | 108.8 | | |
| 333 | K | 30.5 | Very low | 36 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | | | trans | -104.1 | 121 | 176.1 | -76.2 | -177 | 176 | 177.5 | 0 | 111.6 | A335 | K333-A335 PolarHBondContact O-N 3.41Š|
| 334 | P | 34.9 | Very low | 36.3 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -70.1 | 117.6 | 157.9 | -12.6 | 28.6 | 0 | 0 | 0 | 109.2 | | |
| 335 | A | 30.5 | Very low | 36.9 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | | | trans | -92.7 | 98.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | K333 N337 | K333-A335 PolarHBondContact O-N 3.41Å; A335-N337 PolarHBondContact O-N 3.5Å |
| 336 | V | 38.8 | Very low | 37 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -92.7 | 96.7 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 337 | N | 32.7 | Very low | 36.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -86 | 111.4 | 178.8 | -174 | -82.8 | 0 | 0 | 0 | 110.7 | A335 Q339 | A335-N337 PolarHBondContact O-N 3.5Å; N337-Q339 WeakPolarHBondContact OD1-CG 3.48Å; N337-Q339 PolarHBondContact OD1-NE2 2.84Å |
| 338 | A | 35.7 | Very low | 36.4 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | -94.1 | 95.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 339 | Q | 38.8 | Very low | 36.3 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -89.4 | 106.9 | 170.9 | -91.7 | 166.2 | 77.5 | 0 | 0 | 111 | N337 L341 | N337-Q339 WeakPolarHBondContact OD1-CG 3.48Å; N337-Q339 PolarHBondContact OD1-NE2 2.84Å; Q339-L341 PolarHBondContact O-N 2.9Å |
| 340 | T | 44.6 | Very low | 36.5 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -67 | 111.5 | 170.6 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | V342 | T340-V342 HydrophobicContact CG2-CG2 4.2Å; T340-V342 PolarHBondContact O-N 3.34Å |
| 341 | L | 38.4 | Very low | 36.5 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -72 | 87.8 | 173.3 | -73.5 | 171.9 | 0 | 0 | 0 | 111 | Q339 V343 | Q339-L341 PolarHBondContact O-N 2.9Å; L341-V343 PolarHBondContact O-N 2.88Å |
| 342 | V | 43.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | | | trans | -73.6 | 107.5 | 165.3 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | T340 Q344 | T340-V342 HydrophobicContact CG2-CG2 4.2Å; T340-V342 PolarHBondContact O-N 3.34Å; V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3.38Å |
| 343 | V | 36.8 | Very low | 36.4 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -74.2 | 85 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | L341 | L341-V343 PolarHBondContact O-N 2.88Š|
| 344 | Q | 37.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | -70.2 | 124.5 | 172.9 | -164.3 | 70.7 | 35.5 | 0 | 0 | 109.5 | V342 L346 | V342-Q344 VanDerWaalsContact C-N 3.3Å; V342-Q344 PolarHBondContact O-N 3.38Å; Q344-L346 PolarHBondContact O-N 3.34Å |
| 345 | P | 41.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -69 | 105 | 174.7 | 27 | -32.9 | 0 | 0 | 0 | 109.8 | Q347 | P345-Q347 PolarHBondContact O-N 3.28Š|
| 346 | L | 33.1 | Very low | 36.6 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -69.7 | 97.6 | -173.4 | -174.5 | 69 | 0 | 0 | 0 | 111.7 | Q344 K348 | Q344-L346 PolarHBondContact O-N 3.34Å; L346-K348 PolarHBondContact O-N 2.96Å |
| 347 | Q | 38.6 | Very low | 36.4 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -71.7 | 120.6 | 167.3 | -61.8 | -173.9 | 25 | 0 | 0 | 109 | P345 T349 | P345-Q347 PolarHBondContact O-N 3.28Å; Q347-T349 PolarHBondContact O-N 3.41Å |
| 348 | K | 34 | Very low | 36.8 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -81.9 | 74.7 | -170.6 | -166.9 | -170.9 | 69.1 | 174.8 | 0 | 112.5 | L346 | L346-K348 PolarHBondContact O-N 2.96Š|
| 349 | T | 32.8 | Very low | 37 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | -81.6 | 123.2 | 165.6 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | Q347 | Q347-T349 PolarHBondContact O-N 3.41Š|
| 350 | A | 38.2 | Very low | 37.3 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -96 | 118 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 351 | L | 35.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -136.1 | 136.2 | 163.2 | -78.3 | 169.4 | 0 | 0 | 0 | 107 | | |
| 352 | G | 34.6 | Very low | 37.8 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -132.6 | 152 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 353 | T | 33.1 | Very low | 38 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -165.5 | 166.5 | 152.6 | -26.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 354 | E | 31 | Very low | 38.3 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | trans | 63.3 | 84.1 | 160.2 | -53.7 | -51.7 | 74.4 | 0 | 0 | 121.7 | | |
| 355 | K | 36.1 | Very low | 38.7 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | | 42.4 | 112.3 | 106.1 | -174.2 | -170.9 | -179.9 | -175 | 0 | 119.2 | | |
| 356 | S | 33.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | | 154.9 | 155.8 | 124.3 | -168.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 357 | G | 33.1 | Very low | 38.9 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 101.2 | 117.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 358 | H | 42.6 | Very low | 38.8 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | -86.3 | 133.2 | 173.2 | -58.5 | -88.1 | 0 | 0 | 0 | 112.1 | | |
| 359 | S | 39.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -156.7 | 152.3 | 148.5 | 56.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 360 | N | 45.4 | Very low | 39.8 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 95% | 0.952 | 80% | 0.804 | S | S | * | * | | | trans | -81.5 | 125.8 | -176.3 | -70.4 | -69 | 0 | 0 | 0 | 111 | | |
| 361 | G | 46.9 | Very low | 40 | Very low | 62 Ų | 62 | 143.9 Ų | 143.9 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | | | trans | -126 | 153.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 362 | P | 46.2 | Very low | 40.3 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 142.6 | -172 | 28 | -35.1 | 0 | 0 | 0 | 113 | P364 | P362-P364 WeakPolarHBondContact O-CD 3.47Š|
| 363 | I | 47.3 | Very low | 41.1 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 118.7 | -176.7 | -59.9 | 164.6 | 0 | 0 | 0 | 110.4 | I365 | I363-I365 PolarHBondContact O-N 3.43Š|
| 364 | P | 44.2 | Very low | 41.9 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 118.5 | 166.3 | 30.5 | -31.7 | 0 | 0 | 0 | 109.5 | P362 Q366 | P362-P364 WeakPolarHBondContact O-CD 3.47Å; P364-Q366 PolarHBondContact O-N 3.15Å |
| 365 | I | 45.2 | Very low | 42.6 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | | | trans | -70.3 | 101.1 | 179.7 | -59.6 | 174.3 | 0 | 0 | 0 | 109.4 | I363 | I363-I365 PolarHBondContact O-N 3.43Š|
| 366 | Q | 38.7 | Very low | 42.7 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | trans | -74.3 | 132.2 | 170.3 | -69.4 | -173.6 | -6.1 | 0 | 0 | 110.8 | P364 K368 | P364-Q366 PolarHBondContact O-N 3.15Å; Q366-K368 PolarHBondContact O-N 3.41Å |
| 367 | P | 39.2 | Very low | 43.3 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -68.5 | 127.3 | 165.7 | 29.1 | -32.5 | 0 | 0 | 0 | 109.6 | T369 | P367-T369 PolarHBondContact O-N 2.91Š|
| 368 | K | 37.2 | Very low | 43.8 | Very low | 204 Ų | 204 | 151 Ų | 151 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | | | trans | -69.4 | 97.9 | 179.4 | -71.2 | 178.2 | 178 | 175.1 | 0 | 111.4 | Q366 | Q366-K368 PolarHBondContact O-N 3.41Š|
| 369 | T | 42.8 | Very low | 44 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -93.6 | 115.6 | 157.4 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | P367 Q371 | P367-T369 PolarHBondContact O-N 2.91Å; T369-Q371 PolarHBondContact O-N 2.87Å |
| 370 | F | 44.5 | Very low | 44.2 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -63.3 | 134.7 | 173.6 | -101.7 | -101.3 | 0 | 0 | 0 | 109.9 | G372 | F370-G372 PolarHBondContact O-N 2.8Å; F370-G372 VanDerWaalsContact O-N 3.11Å |
| 371 | Q | 43 | Very low | 44.4 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -70.6 | 106.3 | 170 | -71.8 | -149.6 | 62.9 | 0 | 0 | 110 | T369 | T369-Q371 PolarHBondContact O-N 2.87Š|
| 372 | G | 41.3 | Very low | 44.3 | Very low | 62 Ų | 62 | 154.3 Ų | 154.3 | 64% | 0.639 | 81% | 0.812 | S | S | * | * | | | trans | -107.8 | 110 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | F370 R374 | F370-G372 PolarHBondContact O-N 2.8Å; F370-G372 VanDerWaalsContact O-N 3.11Å; G372-R374 PolarHBondContact O-N 2.88Å |
| 373 | L | 51 | Low | 44.8 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -58.5 | 106 | -177.7 | -73.9 | 164 | 0 | 0 | 0 | 111.8 | | |
| 374 | R | 50.6 | Low | 45.2 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -135.9 | 107.2 | 167.8 | -59.6 | -65.7 | -85.8 | -166.6 | -6.8 | 108.5 | G372 | G372-R374 PolarHBondContact O-N 2.88Š|
| 375 | V | 45.6 | Very low | 45.8 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | | | trans | -55.6 | 135.1 | 170.2 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | L377 | V375-L377 VanDerWaalsContact C-N 3.35Å; V375-L377 PolarHBondContact O-N 3.05Å |
| 376 | P | 39 | Very low | 46.2 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -66.5 | 97.2 | 170.3 | 28 | -33.1 | 0 | 0 | 0 | 108.4 | Q378 | P376-Q378 PolarHBondContact O-N 2.91Š|
| 377 | L | 44.8 | Very low | 47 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -66.2 | 108.5 | 179 | -161.4 | 75.4 | 0 | 0 | 0 | 108.1 | V375 L379 | V375-L377 VanDerWaalsContact C-N 3.35Å; V375-L377 PolarHBondContact O-N 3.05Å; L377-L379 PolarHBondContact O-N 2.92Å |
| 378 | Q | 45.3 | Very low | 47.9 | Very low | 187 Ų | 187 | 152.2 Ų | 152.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -64.7 | 98.9 | -172 | -177.9 | 173 | -26.4 | 0 | 0 | 110.3 | P376 P380 | P376-Q378 PolarHBondContact O-N 2.91Å; Q378-P380 WeakPolarHBondContact O-CD 3.32Å |
| 379 | L | 46.9 | Very low | 48.9 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -59.8 | 125.1 | 175.7 | -66.8 | 174.7 | 0 | 0 | 0 | 109.3 | L377 S381 | L377-L379 PolarHBondContact O-N 2.92Å; L379-S381 PolarHBondContact O-N 3.02Å |
| 380 | P | 42.9 | Very low | 49.2 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | | | trans | -57.4 | 133.6 | 171.7 | -24.5 | 34.8 | 0 | 0 | 0 | 110.2 | Q378 R382 | Q378-P380 WeakPolarHBondContact O-CD 3.32Å; P380-R382 PolarHBondContact O-N 3.44Å |
| 381 | S | 48.9 | Very low | 49.7 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -62.4 | 105.8 | 174.2 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | L379 N383 | L379-S381 PolarHBondContact O-N 3.02Å; S381-N383 PolarHBondContact O-N 3.25Å |
| 382 | R | 46.1 | Very low | 50.3 | Low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -73.7 | 71.6 | -178.3 | -168 | 176.5 | -176.3 | 166.8 | 1.3 | 110.6 | P380 | P380-R382 PolarHBondContact O-N 3.44Š|
| 383 | N | 56.8 | Low | 50.7 | Low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126 | 173.4 | -148.3 | 10.7 | 0 | 0 | 0 | 108.1 | S381 | S381-N383 PolarHBondContact O-N 3.25Š|
| 384 | P | 56.1 | Low | 50.1 | Low | 102 Ų | 102 | 138.1 Ų | 138.1 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64 | 142 | 175.4 | 27.1 | -33.7 | 0 | 0 | 0 | 109.5 | | |
| 385 | P | 56.7 | Low | 49.4 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 148.5 | 174.9 | 28.5 | -34.5 | 0 | 0 | 0 | 110.2 | I387 | P385-I387 PolarHBondContact O-N 2.92Š|
| 386 | P | 53.4 | Low | 49 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131 | 174.1 | 26.9 | -33.9 | 0 | 0 | 0 | 109.9 | L388 | P386-L388 PolarHBondContact O-N 2.92Š|
| 387 | I | 55 | Low | 49 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 117 | 177.7 | -59.8 | 173.5 | 0 | 0 | 0 | 108 | P385 | P385-I387 PolarHBondContact O-N 2.92Š|
| 388 | L | 58.1 | Low | 48.4 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 143.1 | 173.7 | -68.1 | 173.2 | 0 | 0 | 0 | 110.3 | P386 | P386-L388 PolarHBondContact O-N 2.92Š|
| 389 | P | 58.4 | Low | 47.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 142.4 | 169.7 | -23.1 | 34 | 0 | 0 | 0 | 111.5 | | |
| 390 | A | 49.5 | Very low | 47.2 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 143 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 391 | P | 53.5 | Low | 46.7 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 148.2 | 176.7 | 29.1 | -35 | 0 | 0 | 0 | 111.2 | | |
| 392 | P | 57 | Low | 46.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66 | 149.7 | 173.1 | 29.3 | -34.8 | 0 | 0 | 0 | 111 | | |
| 393 | P | 50 | Low | 46.1 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.4 | 174.9 | 27.6 | -34.4 | 0 | 0 | 0 | 110.7 | S395 | P393-S395 PolarHBondContact O-N 3.4Š|
| 394 | A | 37.3 | Very low | 45.5 | Very low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S396 | A394-S396 PolarHBondContact O-N 2.92Š|
| 395 | S | 37.1 | Very low | 44.9 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -72.2 | 87.1 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | P393 S397 | P393-S395 PolarHBondContact O-N 3.4Å; S395-S397 PolarHBondContact O-N 3.14Å |
| 396 | S | 37.2 | Very low | 44.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -76.4 | 89.6 | 168.5 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | A394 N398 | A394-S396 PolarHBondContact O-N 2.92Å; S396-N398 PolarHBondContact O-N 2.93Å |
| 397 | S | 38.4 | Very low | 43.8 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -69.7 | 122.1 | 172.1 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | S395 | S395-S397 PolarHBondContact O-N 3.14Š|
| 398 | N | 31 | Very low | 43.5 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -166.3 | 140.9 | 135.4 | -96.2 | -22.8 | 0 | 0 | 0 | 110.9 | S396 | S396-N398 PolarHBondContact O-N 2.93Š|
| 399 | H | 34.8 | Very low | 42.9 | Very low | 186 Ų | 186 | 128 Ų | 128 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -87.8 | 146 | -177.4 | -77.9 | -118.7 | 0 | 0 | 0 | 112.5 | | |
| 400 | S | 32.9 | Very low | 42.4 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -173.2 | 155.8 | 130.2 | 25.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 401 | S | 33.6 | Very low | 42.1 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 55.5 | 87.1 | 167.8 | 53.6 | 0 | 0 | 0 | 0 | 120 | | |
| 402 | Q | 38.4 | Very low | 41.3 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | | -89.7 | 167.5 | 128.3 | -82.1 | -98.7 | -18.9 | 0 | 0 | 107.5 | | |
| 403 | P | 42.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | cis | -133 | -162 | 23.7 | 45.6 | -27 | 0 | 0 | 0 | 112.2 | | |
| 404 | P | 43.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | cis | -126.3 | 159.7 | -3.5 | 40.7 | -25.3 | 0 | 0 | 0 | 116.7 | | |
| 405 | H | 43.6 | Very low | 40.4 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -98.2 | 131.3 | 171.3 | -168.4 | -61.9 | 0 | 0 | 0 | 110 | P407 | H405-P407 WeakPolarHBondContact O-CD 3.26Š|
| 406 | I | 41.7 | Very low | 40.3 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | | | trans | -82.2 | 124.8 | 174 | -63 | 173.9 | 0 | 0 | 0 | 109.1 | | |
| 407 | P | 45 | Very low | 40.8 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | trans | -88.2 | 114.1 | 173 | 32.4 | -30 | 0 | 0 | 0 | 110.6 | H405 Q409 | H405-P407 WeakPolarHBondContact O-CD 3.26Å; P407-Q409 PolarHBondContact O-N 3.43Å |
| 408 | V | 49.9 | Very low | 40.9 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -78.8 | 111.6 | 169.2 | -177 | 0 | 0 | 0 | 0 | 108.8 | I410 | V408-I410 PolarHBondContact O-N 3.47Š|
| 409 | Q | 45.7 | Very low | 41.1 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -87.7 | 103.1 | -167.4 | -164.9 | -173.4 | -0 | 0 | 0 | 111.5 | P407 V411 | P407-Q409 PolarHBondContact O-N 3.43Å; Q409-V411 HydrophobicContact CG-CG2 3.67Å; Q409-V411 PolarHBondContact O-N 3.23Å |
| 410 | I | 46.7 | Very low | 41.2 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -84.7 | 99.5 | 167.3 | -59.4 | -178.2 | 0 | 0 | 0 | 108.5 | V408 | V408-I410 PolarHBondContact O-N 3.47Š|
| 411 | V | 43.4 | Very low | 41.3 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | | | trans | -87.2 | 127.5 | 178 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | Q409 | Q409-V411 HydrophobicContact CG-CG2 3.67Å; Q409-V411 PolarHBondContact O-N 3.23Å |
| 412 | G | 38.1 | Very low | 41.3 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | trans | 115.8 | 122.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 413 | A | 42.7 | Very low | 41.2 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | cis | -153.3 | 142.1 | -10.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 414 | R | 42.1 | Very low | 40.9 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | 49.6 | 88.1 | 158 | -62 | 177.2 | 179.7 | -88 | -1.1 | 117.2 | | |
| 415 | Q | 39.5 | Very low | 40.3 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -65.9 | 150.2 | 131 | -68.1 | -171.8 | 19.2 | 0 | 0 | 108.8 | | |
| 416 | S | 35.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -148 | 94.1 | 171.9 | -174 | 0 | 0 | 0 | 0 | 110.2 | | |
| 417 | T | 47.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -116.9 | 104.4 | 175.3 | -65.8 | 0 | 0 | 0 | 0 | 109 | | |
| 418 | L | 41 | Very low | 38.8 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -168.2 | 150.3 | 154.2 | -137.6 | 73.3 | 0 | 0 | 0 | 112 | | |
| 419 | G | 36 | Very low | 38 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 73.6 | 92.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 420 | G | 35.3 | Very low | 37.3 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | | 58.2 | 112.2 | 111 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 421 | T | 35.8 | Very low | 36.8 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | 73 | 159.3 | 140.6 | 73.8 | 0 | 0 | 0 | 0 | 122 | | |
| 422 | Q | 33.8 | Very low | 36.4 | Very low | 195 Ų | 195 | 131 Ų | 131 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | | | trans | 78.5 | 151.8 | 173 | -53.2 | -145.7 | 62.4 | 0 | 0 | 117.6 | | |
| 423 | A | 36.2 | Very low | 36.1 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -123.7 | 149.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 424 | L | 35.8 | Very low | 35.3 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | -148.3 | 156.4 | 151.2 | -148 | 65.8 | 0 | 0 | 0 | 110.1 | | |
| 425 | A | 32.2 | Very low | 34.7 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | | | trans | -91.8 | -159.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 426 | L | 35.8 | Very low | 34.4 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | 82 | 150.3 | 176.7 | -47.5 | 176.2 | 0 | 0 | 0 | 115.7 | | |
| 427 | A | 32.2 | Very low | 34.2 | Very low | 82 Ų | 82 | 126 Ų | 126 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | cis | 179 | 138.5 | -48.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 428 | R | 31.2 | Very low | 33.4 | Very low | 261 Ų | 261 | 126.5 Ų | 126.5 | 99% | 0.985 | 80% | 0.802 | S | S | * | * | | | trans | 58.9 | 138.2 | 167.5 | -72.3 | -178.2 | 167.1 | 163.8 | -3.5 | 117.8 | | |
| 429 | G | 31.4 | Very low | 33.1 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -171.7 | 52.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 430 | S | 32.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -90.4 | 129.5 | 178.7 | -171.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 431 | C | 36.4 | Very low | 32.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -136.6 | 135.4 | 157.2 | 58.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 432 | S | 33.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -109.4 | 161.2 | -174.5 | -60 | 0 | 0 | 0 | 0 | 111.4 | | |
| 433 | Q | 32.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 96 | 141 | 136.8 | -165.8 | 162.3 | -6.9 | 0 | 0 | 120 | | |
| 434 | E | 26.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 81 | 139.1 | 160.1 | -126.7 | 49.7 | -104.5 | 0 | 0 | 121.2 | | |
| 435 | G | 29.4 | Very low | 32.3 | Very low | 64 Ų | 64 | 123.2 Ų | 123.2 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 120.8 | 85.6 | 156 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 436 | A | 31.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 47.8 | 110.3 | 150 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 437 | A | 31.3 | Very low | 32.5 | Very low | 90 Ų | 90 | 125.5 Ų | 125.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -85.1 | 136.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 438 | V | 31.5 | Very low | 32.5 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -131.8 | 95.9 | 160.9 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | S440 | V438-S440 PolarHBondContact O-N 3.36Š|
| 439 | L | 33.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -90.7 | 99.5 | -179.3 | -70.5 | 172.6 | 0 | 0 | 0 | 111.1 | S441 | L439-S441 PolarHBondContact O-N 2.89Š|
| 440 | S | 30.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -79.6 | 69 | 168.7 | -179.8 | 0 | 0 | 0 | 0 | 111 | V438 | V438-S440 PolarHBondContact O-N 3.36Š|
| 441 | S | 30.4 | Very low | 32.5 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | -90 | 113.7 | -179.2 | -161.6 | 0 | 0 | 0 | 0 | 112.5 | L439 S443 | L439-S441 PolarHBondContact O-N 2.89Å; S441-S443 PolarHBondContact OG-OG 2.9Å |
| 442 | S | 36 | Very low | 32.5 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | trans | -106.2 | 68.9 | 167.1 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 443 | S | 35.4 | Very low | 32.4 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 52% | 0.517 | 78% | 0.784 | S | S | . | * | | | trans | -110.2 | 105.1 | -176.4 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | S441 L445 | S441-S443 PolarHBondContact OG-OG 2.9Å; S443-L445 PolarHBondContact O-N 2.88Å |
| 444 | S | 31.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 92% | 0.923 | 78% | 0.776 | S | S | * | * | | | trans | -70.6 | 127.2 | 179 | -164.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 445 | L | 33.8 | Very low | 33 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -109.6 | 118.4 | -173.6 | -71.2 | 173.9 | 0 | 0 | 0 | 111.9 | S443 | S443-L445 PolarHBondContact O-N 2.88Š|
| 446 | L | 35.4 | Very low | 33.3 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -141.6 | 75.1 | 158.3 | -78.9 | -176.9 | 0 | 0 | 0 | 111 | | |
| 447 | T | 36.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -141.9 | 96.5 | 162.3 | -58.6 | 0 | 0 | 0 | 0 | 108.4 | V449 | T447-V449 HydrophobicContact CG2-CG2 4.45Š|
| 448 | M | 31.8 | Very low | 33.5 | Very low | 187 Ų | 187 | 128.2 Ų | 128.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -83.4 | 115.5 | 174.3 | -71.6 | -163.4 | -67.4 | 0 | 0 | 110.6 | | |
| 449 | V | 33.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -126.5 | 102.6 | 161.2 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | T447 | T447-V449 HydrophobicContact CG2-CG2 4.45Š|
| 450 | A | 31.1 | Very low | 33.7 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -105.9 | 86.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I452 | A450-I452 PolarHBondContact O-N 3.15Š|
| 451 | S | 30.1 | Very low | 34 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -86.4 | 99.9 | 170.9 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 452 | I | 37.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -94.8 | 111.7 | 176.9 | 49.3 | 171.9 | 0 | 0 | 0 | 111.8 | A450 | A450-I452 PolarHBondContact O-N 3.15Š|
| 453 | T | 31.2 | Very low | 34.3 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -135.7 | 101.7 | 166.1 | -71.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 454 | S | 31.6 | Very low | 34.2 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | | | trans | -155.6 | 125.6 | 154.9 | -166.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 455 | R | 40.8 | Very low | 34.4 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | trans | -41.5 | 146.9 | 158.7 | 58.8 | -88.1 | 159.1 | -148.2 | -6.6 | 115.2 | | |
| 456 | E | 35.7 | Very low | 34.3 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | | 34.5 | 138.4 | 117.9 | -145.3 | 80.9 | 160.5 | 0 | 0 | 119.6 | | |
| 457 | G | 32.8 | Very low | 34.4 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | | | trans | 154.4 | 16.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 458 | G | 33.7 | Very low | 34.1 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 63.3 | 178 | 150.5 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 459 | V | 33.9 | Very low | 34 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | | | trans | 84.2 | 95.5 | 161.7 | -174.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 460 | V | 35.9 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | 61.2 | 125.3 | 133.3 | -177.6 | 0 | 0 | 0 | 0 | 122 | | |
| 461 | G | 36.2 | Very low | 33.7 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | | | trans | -177.1 | 90.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 462 | R | 39.2 | Very low | 34.5 | Very low | 256 Ų | 256 | 136.3 Ų | 136.3 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | | | trans | -27.3 | 142.1 | 179.1 | -71.4 | 176.5 | 160.3 | -147.1 | -2.6 | 119.1 | | |
| 463 | G | 33.8 | Very low | 34 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | 179.8 | 88.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 464 | V | 34 | Very low | 33.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 95% | 0.945 | 80% | 0.796 | S | S | * | * | | | trans | 9.9 | 128.5 | 161.1 | -72.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 465 | G | 33.9 | Very low | 33.6 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | 175.5 | 89.4 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 466 | L | 33.5 | Very low | 33 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -87.7 | 119.4 | -174.5 | -68 | 165.9 | 0 | 0 | 0 | 114.2 | | |
| 467 | K | 36.1 | Very low | 33.8 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -160 | 91 | 146.6 | -58.4 | -166.9 | -175.1 | -178.7 | 0 | 109.1 | | |
| 468 | T | 30 | Very low | 34.8 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | | 67.3 | 129.9 | 85.4 | 60.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 469 | L | 30.8 | Very low | 34.4 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | 74.7 | 135.8 | 174.3 | -56.3 | 175 | 0 | 0 | 0 | 115.7 | | |
| 470 | Q | 30.4 | Very low | 34.1 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | cis | -155.5 | 153.2 | -11.7 | -172.5 | 164.5 | -23 | 0 | 0 | 110.2 | | |
| 471 | T | 27.4 | Very low | 33.8 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -103.5 | -173.3 | -177.9 | 57 | 0 | 0 | 0 | 0 | 110.7 | | |
| 472 | P | 45.5 | Very low | 34.1 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | cis | -144 | -165 | 4.2 | 42.6 | -21.1 | 0 | 0 | 0 | 116.8 | | |
| 473 | Q | 27.9 | Very low | 33.6 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | | | trans | 67.6 | 156.7 | 151.9 | -109.7 | 103.3 | -8.2 | 0 | 0 | 119.7 | | |
| 474 | E | 26.8 | Very low | 33.4 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | cis | -144 | -151.2 | -17.1 | -153.4 | 150.8 | 65.5 | 0 | 0 | 110.7 | | |
| 475 | A | 27.4 | Very low | 33.2 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -131.6 | 175.6 | -159.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 476 | A | 28.2 | Very low | 34 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 84.1 | 156.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 477 | P | 53.2 | Low | 33.9 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -110.5 | -150.5 | -177 | 47.1 | -35.6 | 0 | 0 | 0 | 110.2 | | |
| 478 | P | 52.9 | Low | 33.5 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | cis | -136.7 | -167.7 | -11.1 | 35.9 | -13.5 | 0 | 0 | 0 | 115.4 | | |
| 479 | A | 25.9 | Very low | 33.5 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 117.7 | 157.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 480 | Q | 28 | Very low | 33.6 | Very low | 195 Ų | 195 | 130.3 Ų | 130.3 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | | | trans | 83.2 | 150 | 163 | -56.4 | -166.4 | 0.1 | 0 | 0 | 120.8 | | |
| 481 | A | 29.4 | Very low | 33.6 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | -119 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 482 | P | 42 | Very low | 33.8 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | | -156 | 165.3 | 72.9 | 41.6 | -20.8 | 0 | 0 | 0 | 118.4 | | |
| 483 | Q | 29.6 | Very low | 33.1 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | | | trans | 41.6 | 135.2 | 132.9 | -159.8 | -173.3 | 2.9 | 0 | 0 | 123 | | |
| 484 | V | 28.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | | | | 165.3 | 151.8 | 123.2 | 157.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 485 | H | 29.1 | Very low | 33.4 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | | | trans | -98.8 | -174.2 | 179.9 | -126.7 | 51.8 | 0 | 0 | 0 | 110.6 | | |
| 486 | P | 51.3 | Low | 33.7 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | cis | -121.3 | 165 | 34.4 | 8.6 | 19.1 | 0 | 0 | 0 | 114 | | |
| 487 | Q | 30.8 | Very low | 33.7 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | cis | 93.7 | 134.3 | 40 | -160.3 | -155 | -67.9 | 0 | 0 | 114.2 | | |
| 488 | T | 28.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | 114.2 | 134.5 | 150.5 | -52.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 489 | N | 29.7 | Very low | 32.2 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | | | cis | -165.8 | 158.9 | -30.3 | -153.6 | 17.1 | 0 | 0 | 0 | 109.8 | | |
| 490 | Q | 33.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | | | trans | 7.3 | 159.1 | 138.3 | -72.6 | -176.3 | 79.9 | 0 | 0 | 121.9 | | |
| 491 | S | 30.2 | Very low | 32.5 | Very low | 82 Ų | 82 | 122 Ų | 122 | 57% | 0.573 | 73% | 0.732 | S | S | * | * | | | cis | -172.4 | 167.1 | 1.8 | -108.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 492 | S | 31.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | 62.5 | 167.2 | 146 | -68.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 493 | A | 29.6 | Very low | 32 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | cis | -169.3 | 172.6 | -37.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 494 | Q | 31.8 | Very low | 32.1 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | trans | 70.6 | 89.1 | 140.3 | -162.4 | 166.4 | -33 | 0 | 0 | 120.4 | | |
| 495 | S | 29.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | | 87.3 | 152.7 | 119.7 | -64.5 | 0 | 0 | 0 | 0 | 124 | | |
| 496 | Q | 33.2 | Very low | 32.5 | Very low | 157 Ų | 157 | 118.8 Ų | 118.8 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | 94.6 | 132.2 | 140.4 | -92.4 | 178 | 59 | 0 | 0 | 121.6 | | |
| 497 | N | 29.5 | Very low | 31.6 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | trans | 67.3 | 117.9 | 145.8 | -54.8 | -18.4 | 0 | 0 | 0 | 120.4 | | |
| 498 | G | 31 | Very low | 31.8 | Very low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -77.8 | 177.8 | 135.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 499 | P | 42.6 | Very low | 31.8 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | | -143.2 | -153.3 | 53.4 | 42.4 | -23.5 | 0 | 0 | 0 | 114.5 | | |
| 500 | A | 29.9 | Very low | 32.6 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | | | trans | -64.1 | -179.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 501 | S | 31.2 | Very low | 32.4 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | cis | -149.8 | 174.6 | 24.7 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 502 | Q | 32.1 | Very low | 32.6 | Very low | 176 Ų | 176 | 120 Ų | 120 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | | -172.6 | 121.5 | 78.9 | -88.1 | 179.5 | 7.8 | 0 | 0 | 109.1 | | |
| 503 | S | 28.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | 59.1 | 132.9 | 105 | 71.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 504 | S | 31.1 | Very low | 32.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -138.2 | -172.6 | 26.5 | -62.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 505 | A | 31.4 | Very low | 33.3 | Very low | 104 Ų | 104 | 119 Ų | 119 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | cis | -146.3 | -127.3 | 12.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 506 | S | 34.8 | Very low | 33.9 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -144 | 144.3 | -167.1 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 507 | S | 33 | Very low | 34.4 | Very low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | | 164.6 | 118.7 | 108.7 | -80.9 | 0 | 0 | 0 | 0 | 116 | | |
| 508 | Q | 33.9 | Very low | 34.6 | Very low | 191 Ų | 191 | 117.2 Ų | 117.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | 60.4 | 165.5 | 141 | -58.5 | -175.5 | -0.5 | 0 | 0 | 120.5 | | |
| 509 | S | 28.6 | Very low | 34.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -147.2 | -164.9 | -158.7 | 65.7 | 0 | 0 | 0 | 0 | 110 | | |
| 510 | P | 47.9 | Very low | 34.1 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | | | cis | -134.9 | -169.3 | -20.9 | 31.4 | -9.5 | 0 | 0 | 0 | 114 | | |
| 511 | T | 28.8 | Very low | 34.3 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | trans | 69.5 | 164.4 | 155.4 | 29.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 512 | V | 34.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -135.2 | 156.7 | 23.2 | -178.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 513 | T | 35.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -75.3 | 149.2 | 178.7 | -44 | 0 | 0 | 0 | 0 | 115.6 | | |
| 514 | A | 30.2 | Very low | 34.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -150.2 | 154 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 515 | P | 40.9 | Very low | 34.6 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -122.1 | -143 | -166.6 | 40.8 | -21 | 0 | 0 | 0 | 114.7 | | |
| 516 | P | 44 | Very low | 34.6 | Very low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | | -93.7 | 168.7 | -125.7 | 41.3 | -29.5 | 0 | 0 | 0 | 116.1 | | |
| 517 | P | 43.3 | Very low | 35 | Very low | 134 Ų | 134 | 135 Ų | 135 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -76.1 | 134.4 | 176 | 31.1 | -35.2 | 0 | 0 | 0 | 113.2 | | |
| 518 | S | 32.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -112.1 | 158.3 | 177 | -80.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 519 | Q | 34.6 | Very low | 34.6 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | | | trans | -86.9 | 152.3 | -174.6 | -55.6 | 167 | 17.3 | 0 | 0 | 111.7 | | |
| 520 | S | 30.2 | Very low | 34.8 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | trans | -115.7 | 132.7 | 169.5 | -66 | 0 | 0 | 0 | 0 | 111.9 | | |
| 521 | R | 32.8 | Very low | 34 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -144.8 | 178.9 | 173.6 | -156.4 | 179.1 | -175.9 | -114.5 | 2.8 | 107.7 | | |
| 522 | S | 28.9 | Very low | 34 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | | | trans | 77.9 | 135.6 | -174.4 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 523 | T | 34.6 | Very low | 34 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | cis | 99.2 | 127.6 | 20.6 | 68.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 524 | H | 34.8 | Very low | 33.8 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -24 | 146.1 | 170.8 | -78.7 | -97 | 0 | 0 | 0 | 119.7 | | |
| 525 | S | 31.3 | Very low | 33.9 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -171 | 122.4 | 130.5 | 53.5 | 0 | 0 | 0 | 0 | 115 | | |
| 526 | L | 30.7 | Very low | 33.4 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | 57.5 | 172.8 | 137.4 | -86.9 | 66.5 | 0 | 0 | 0 | 121.4 | | |
| 527 | P | 43.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | cis | -131.6 | -177 | -19.9 | 29.1 | -6.4 | 0 | 0 | 0 | 116.2 | | |
| 528 | Q | 28.2 | Very low | 32.3 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 148.3 | 174.7 | 163.5 | -165.7 | -1.6 | 0 | 0 | 116.8 | | |
| 529 | V | 30.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | | | trans | -144.9 | 164.1 | 153.4 | -169.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 530 | T | 33.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -103.8 | -179 | -164.6 | -50.5 | 0 | 0 | 0 | 0 | 114 | | |
| 531 | E | 31.5 | Very low | 32.8 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | 97.8 | 151.5 | 164.4 | -58.7 | -166.9 | 130.3 | 0 | 0 | 116.2 | | |
| 532 | E | 29.5 | Very low | 32.8 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | | | cis | -177.7 | 149.4 | -32.6 | -163.9 | -155.2 | 45.1 | 0 | 0 | 104.6 | | |
| 533 | Q | 33.3 | Very low | 33 | Very low | 111 Ų | 111 | 139 Ų | 139 | 52% | 0.519 | 78% | 0.777 | S | S | . | * | | | trans | 117.3 | 131.7 | 130.7 | -151.1 | 50.7 | -81.4 | 0 | 0 | 121 | | |
| 534 | R | 32.2 | Very low | 33.2 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | 51.3 | 123 | 158 | -89.5 | 174 | -172.8 | 81.2 | 9.6 | 122.9 | | |
| 535 | R | 31.9 | Very low | 33.3 | Very low | 231 Ų | 231 | 133.2 Ų | 133.2 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | | 54 | 154.4 | 119.8 | -73.5 | -173.8 | 167.9 | -166.6 | -3.8 | 121.1 | | |
| 536 | A | 31.1 | Very low | 33.3 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | cis | -175.4 | 145.9 | -24.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 537 | G | 31.2 | Very low | 33.3 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | 72 | -176.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 538 | V | 32.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | | | cis | -159.9 | 144.4 | -13.5 | 91.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 539 | T | 33.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | 60.4 | 164.5 | 166.1 | 60.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 540 | T | 38.1 | Very low | 34 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | cis | -152 | 173.3 | -12.5 | 4.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 541 | N | 34.7 | Very low | 33.9 | Very low | 166 Ų | 166 | 132 Ų | 132 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 165.9 | 173.2 | -54 | -52.2 | 0 | 0 | 0 | 113.6 | | |
| 542 | G | 33.8 | Very low | 33.8 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | 102.4 | 159.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 543 | D | 33.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | | | cis | -163.4 | 168.2 | -14.2 | -168.6 | 34.3 | 0 | 0 | 0 | 112.5 | | |
| 544 | S | 38 | Very low | 34.1 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | | | trans | 46.6 | 107.2 | 151.2 | -72.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 545 | S | 36.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | | 32.7 | 141.7 | 123.3 | 66.8 | 0 | 0 | 0 | 0 | 124.2 | | |
| 546 | G | 30.8 | Very low | 34.4 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 166.9 | 81.7 | 147.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 547 | A | 32.6 | Very low | 34.6 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 52.6 | 169.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 548 | Q | 33.8 | Very low | 34.8 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | cis | -136.1 | 178.3 | 6.8 | -68.1 | -174.5 | 22.2 | 0 | 0 | 113.3 | | |
| 549 | T | 35.2 | Very low | 35 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | trans | -59.7 | 168.2 | 172.2 | 31.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 550 | P | 46.3 | Very low | 35.3 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | cis | -150.3 | 159.7 | 41.5 | 41.3 | -19.3 | 0 | 0 | 0 | 122.9 | | |
| 551 | Q | 30.6 | Very low | 35.7 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | | | trans | 48.3 | 132.5 | 148.9 | -65 | -166.8 | 19.2 | 0 | 0 | 123.4 | | |
| 552 | G | 30.1 | Very low | 35.9 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | 164.9 | 73.9 | 159 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 553 | K | 37 | Very low | 36 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | 33.1 | 112.5 | 162.6 | -68.5 | 172.2 | 178.3 | 173.6 | 0 | 119 | | |
| 554 | Q | 33.2 | Very low | 36.1 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | | 57.1 | 131 | 86.1 | -86.7 | -158.4 | -25.9 | 0 | 0 | 115.5 | | |
| 555 | V | 33.3 | Very low | 36.4 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 74% | 0.739 | 83% | 0.827 | S | S | * | * | | | cis | -142.7 | 152.4 | -2.7 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 556 | N | 35.4 | Very low | 36.3 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | | | trans | -143 | 146.3 | 159.4 | -147.3 | -4.4 | 0 | 0 | 0 | 111.2 | | |
| 557 | A | 35.5 | Very low | 36.8 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | | | trans | -97 | 148.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 558 | S | 36.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | | | trans | -155.6 | 123.5 | 167.4 | -173 | 0 | 0 | 0 | 0 | 110.4 | | |
| 559 | L | 36.5 | Very low | 37.4 | Very low | 180 Ų | 180 | 143.1 Ų | 143.1 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | | | trans | -136.7 | 132.7 | 173.9 | -75.5 | 178.1 | 0 | 0 | 0 | 110.3 | | |
| 560 | K | 39.2 | Very low | 37.8 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | | | trans | -121.7 | 112.9 | -171.9 | -179 | 172.4 | 65 | 178.8 | 0 | 110.3 | | |
| 561 | R | 48.1 | Very low | 38.1 | Very low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -117.3 | 114.2 | 164.2 | -57.3 | -166.1 | -65.5 | -159.7 | 3.2 | 106.3 | | |
| 562 | K | 37.8 | Very low | 38.3 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | | 64.5 | 99.6 | 59.6 | -63 | -165.2 | 175.7 | -167.3 | 0 | 111.2 | | |
| 563 | S | 36.8 | Very low | 38.5 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | | | trans | -91.2 | 157.1 | 160.3 | -47.4 | 0 | 0 | 0 | 0 | 109 | | |
| 564 | D | 34.9 | Very low | 38.9 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | -146 | 157.7 | 170.4 | -148.3 | -65.8 | 0 | 0 | 0 | 109.4 | | |
| 565 | S | 44.3 | Very low | 39.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -152 | 127.9 | -171 | -65 | 0 | 0 | 0 | 0 | 111.1 | | |
| 566 | G | 35.1 | Very low | 40.1 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | -146.7 | 157.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 567 | S | 41.1 | Very low | 40.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -157 | 161.1 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 111 | | |
| 568 | A | 38.5 | Very low | 40.4 | Very low | 85 Ų | 85 | 142 Ų | 142 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | | | trans | 65 | 146.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 569 | N | 40.9 | Very low | 40.1 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | | | cis | -134.5 | -169 | -0.8 | -104.7 | -2.7 | 0 | 0 | 0 | 107.9 | | |
| 570 | D | 42.2 | Very low | 40.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | cis | -160 | -169.4 | 32.6 | -141.3 | -76.9 | 0 | 0 | 0 | 112.6 | | |
| 571 | E | 54.3 | Low | 40.1 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -96.3 | 176.9 | -153.3 | -71.9 | -88.7 | 74.5 | 0 | 0 | 118.9 | | |
| 572 | D | 33.5 | Very low | 39.2 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | 96.9 | 150.1 | 154.9 | -146.9 | -133 | 0 | 0 | 0 | 120.8 | | |
| 573 | G | 34.9 | Very low | 38.9 | Very low | 57 Ų | 57 | 136.7 Ų | 136.7 | 59% | 0.588 | 80% | 0.798 | S | S | * | * | | | trans | -108.3 | -146.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 574 | P | 45.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | cis | -131.7 | -168.1 | 1.1 | 43.3 | -26.9 | 0 | 0 | 0 | 114.9 | | |
| 575 | S | 36.6 | Very low | 38.4 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -123.3 | 175.2 | 166.9 | -61.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 576 | P | 54.9 | Low | 37.7 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | cis | -126.2 | -155.3 | -1.9 | 35.2 | -12.2 | 0 | 0 | 0 | 111.7 | | |
| 577 | P | 40.4 | Very low | 37.3 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -144.9 | 170 | 83.3 | 37.4 | -19 | 0 | 0 | 0 | 116.5 | | |
| 578 | R | 36.9 | Very low | 36.9 | Very low | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | | | trans | -102.3 | 135.8 | -177.8 | 162.7 | -167.7 | 177.4 | -108.5 | 4.7 | 111.5 | | |
| 579 | L | 30.7 | Very low | 37.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -141.1 | 131.1 | 162.4 | -72.6 | 178.2 | 0 | 0 | 0 | 113.7 | | |
| 580 | Q | 36.6 | Very low | 37.9 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | -138 | 143 | 152.7 | -81.3 | -171.2 | -18 | 0 | 0 | 106 | | |
| 581 | P | 38.4 | Very low | 37.2 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | | -154.7 | 149.1 | 125.1 | 34.1 | -14.7 | 0 | 0 | 0 | 118.3 | | |
| 582 | V | 29.2 | Very low | 36.2 | Very low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 68.5 | 116.2 | 133.6 | 174.7 | 0 | 0 | 0 | 0 | 122.7 | D584 | V582-D584 WeakPolarHBondContact CG1-OD2 3.47Š|
| 583 | R | 31.6 | Very low | 36.7 | Very low | 216 Ų | 216 | 132.3 Ų | 132.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | | -170.4 | 130.9 | 116.3 | -95.4 | -178 | 174.7 | 120.9 | 0.1 | 107.1 | | |
| 584 | D | 27 | Very low | 36.5 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | | | | 63.1 | 135.4 | 64.8 | -56.8 | -54.8 | 0 | 0 | 0 | 112.9 | V582 | V582-D584 WeakPolarHBondContact CG1-OD2 3.47Š|
| 585 | H | 35 | Very low | 35.8 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | cis | -148.3 | 147.8 | 28.7 | -58.4 | -97.3 | 0 | 0 | 0 | 115.4 | | |
| 586 | T | 28.4 | Very low | 35.3 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | | 35.7 | 123.2 | 129 | -45 | 0 | 0 | 0 | 0 | 123.6 | | |
| 587 | S | 27.8 | Very low | 34.1 | Very low | 124 Ų | 124 | 132 Ų | 132 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | | -165.9 | 168.7 | 121.6 | -157.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 588 | A | 31.8 | Very low | 33.6 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -133.8 | 170 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 589 | P | 57 | Low | 33.5 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -101.2 | 172.4 | -164.9 | 40.2 | -36.8 | 0 | 0 | 0 | 115.6 | | |
| 590 | P | 42.8 | Very low | 33.7 | Very low | 132 Ų | 132 | 124 Ų | 124 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | | -136.4 | 172.1 | 127.3 | 38.3 | -27.2 | 0 | 0 | 0 | 112.3 | | |
| 591 | G | 27.6 | Very low | 34 | Very low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | cis | 169.5 | 155.7 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 592 | N | 34.3 | Very low | 34.3 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -107.7 | 149.7 | -178.6 | -79.7 | -2.8 | 0 | 0 | 0 | 113.5 | | |
| 593 | P | 43.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | trans | -123.9 | 146.1 | 136.8 | 16.7 | 3.8 | 0 | 0 | 0 | 110.2 | | |
| 594 | V | 31 | Very low | 34.8 | Very low | 139 Ų | 139 | 116.1 Ų | 116.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | cis | 67.7 | 132.8 | 43.8 | 108.6 | 0 | 0 | 0 | 0 | 112 | | |
| 595 | S | 30.2 | Very low | 34.9 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | cis | -158.7 | 168.8 | 20.1 | -162 | 0 | 0 | 0 | 0 | 113.5 | | |
| 596 | A | 27.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | 46.4 | 152.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 597 | G | 29.1 | Very low | 34.9 | Very low | 70 Ų | 70 | 112 Ų | 112 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | cis | 165.2 | 162.2 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 598 | S | 30.6 | Very low | 35.2 | Very low | 133 Ų | 133 | 112 Ų | 112 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | 71 | 146.6 | -178.6 | -123.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 599 | A | 34 | Very low | 35.3 | Very low | 93 Ų | 93 | 113.6 Ų | 113.6 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | cis | -148.8 | 168.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 600 | S | 34.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 169.9 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 601 | P | 43.8 | Very low | 33.9 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | cis | -135.6 | -179.5 | 25.2 | 39.3 | -17.9 | 0 | 0 | 0 | 117.1 | | |
| 602 | P | 44.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -98 | 171.9 | -171.9 | 41.5 | -37.3 | 0 | 0 | 0 | 113.8 | | |
| 603 | P | 42.1 | Very low | 34.4 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | | -125.5 | -172.2 | 89.3 | 42.4 | -36.1 | 0 | 0 | 0 | 111.2 | | |
| 604 | A | 29.3 | Very low | 34.1 | Very low | 97 Ų | 97 | 118.4 Ų | 118.4 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | cis | -151 | 173.6 | 10.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 605 | S | 27.7 | Very low | 34.2 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -145.5 | 163.8 | 163.9 | -168.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 606 | S | 29.8 | Very low | 34.7 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | cis | -154.1 | -179.7 | 18.1 | -46.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 607 | S | 33.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -66.6 | 155.1 | 157.3 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 608 | P | 35.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | | -142 | -179.9 | 124.5 | 38 | -24.3 | 0 | 0 | 0 | 115 | | |
| 609 | T | 32.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 125 Ų | 125 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -70 | 157.7 | -174.4 | 46 | 0 | 0 | 0 | 0 | 115.7 | | |
| 610 | P | 37.4 | Very low | 35.5 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | trans | -70.8 | 137.2 | 178.2 | 30.1 | -35.8 | 0 | 0 | 0 | 113 | | |
| 611 | I | 33.6 | Very low | 35.7 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -106.5 | 138.3 | 170 | -65.5 | 177.2 | 0 | 0 | 0 | 108.8 | | |
| 612 | L | 39.8 | Very low | 35.7 | Very low | 178 Ų | 178 | 127.7 Ų | 127.7 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | -78.2 | 122.4 | 174.4 | -66.8 | 171.4 | 0 | 0 | 0 | 110.4 | | |
| 613 | S | 31.7 | Very low | 35.3 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | trans | -119.7 | 115.2 | 173.8 | -69.1 | 0 | 0 | 0 | 0 | 111 | | |
| 614 | V | 38.5 | Very low | 35.1 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | | | trans | -93.3 | 122 | 165.5 | 173.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 615 | S | 33.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 136 Ų | 136 | 81% | 0.811 | 83% | 0.826 | S | S | * | * | | | trans | -129.1 | 136.3 | 171.5 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 616 | R | 38.9 | Very low | 36.6 | Very low | 245 Ų | 245 | 135.8 Ų | 135.8 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -112.5 | 140.9 | 173.3 | -76.6 | 177.4 | 168.1 | 155.4 | -5.2 | 109.6 | | |
| 617 | G | 31.5 | Very low | 37.4 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | 104.8 | 93.6 | 153 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 618 | A | 34.5 | Very low | 37.8 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | | | trans | -155.7 | 150.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 619 | C | 37 | Very low | 37.9 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | | | trans | -107.1 | 115.8 | -174.3 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 620 | S | 35.9 | Very low | 38.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | | | trans | -153.1 | 101.1 | 168.2 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 621 | Q | 38.6 | Very low | 38.5 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | | | trans | 26.6 | 91.3 | 145.1 | -166.4 | 172.2 | -6.8 | 0 | 0 | 119.6 | | |
| 622 | G | 43.2 | Very low | 38.8 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | | 70.1 | 74.4 | 120.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 623 | E | 37.9 | Very low | 39 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -138.6 | 153.7 | 136.8 | -144.3 | -165.5 | 136.2 | 0 | 0 | 110.9 | A625 | E623-A625 PolarHBondContact O-N 3.22Š|
| 624 | R | 37.8 | Very low | 39.7 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | trans | -95.9 | 77.4 | -164.3 | -168.4 | -174.6 | -174 | -87.3 | 7.1 | 112.5 | | |
| 625 | A | 40.5 | Very low | 40 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 139.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E623 | E623-A625 PolarHBondContact O-N 3.22Š|
| 626 | S | 47.6 | Very low | 40.5 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 144.2 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 627 | P | 45.3 | Very low | 40.8 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.1 | 171.2 | 28.5 | -34.4 | 0 | 0 | 0 | 110.2 | Q629 | P627-Q629 PolarHBondContact O-N 3.44Š|
| 628 | P | 42.4 | Very low | 41.7 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -66.9 | 110.3 | -179 | 27 | -33.9 | 0 | 0 | 0 | 110.1 | A630 | P628-A630 PolarHBondContact O-N 2.85Š|
| 629 | Q | 38.8 | Very low | 42.4 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -65.9 | 125.2 | 171.5 | -67.4 | -173.7 | 0.8 | 0 | 0 | 109.1 | P627 V631 | P627-Q629 PolarHBondContact O-N 3.44Å; Q629-V631 PolarHBondContact O-N 2.77Å |
| 630 | A | 39.9 | Very low | 42.8 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -65.9 | 108.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | P628 V632 | P628-A630 PolarHBondContact O-N 2.85Å; A630-V632 VanDerWaalsContact C-N 3.29Å; A630-V632 PolarHBondContact O-N 3.39Å |
| 631 | V | 41.3 | Very low | 43.5 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | -69.5 | 89 | 177 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | Q629 K633 | Q629-V631 PolarHBondContact O-N 2.77Å; V631-K633 PolarHBondContact O-N 3.11Å |
| 632 | V | 40.6 | Very low | 44.3 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -65.9 | 90.1 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | A630 P634 | A630-V632 VanDerWaalsContact C-N 3.29Å; A630-V632 PolarHBondContact O-N 3.39Å; V632-P634 VanDerWaalsContact O-CD 3.24Å; V632-P634 WeakPolarHBondContact O-CD 3.41Å |
| 633 | K | 44.3 | Very low | 44.8 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | trans | -56.7 | 110.2 | -176.7 | -175.9 | 174.9 | -177.8 | 176.6 | 0 | 109.2 | V631 H635 | V631-K633 PolarHBondContact O-N 3.11Å; K633-H635 PolarHBondContact O-N 3Å; K633-H635 VanDerWaalsContact O-N 3.13Å; K633-H635 PolarHBondContact O-ND1 3.32Å |
| 634 | P | 46.8 | Very low | 45.1 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -62.2 | 123.4 | 179.9 | 25.7 | -32.8 | 0 | 0 | 0 | 107.8 | V632 V636 | V632-P634 VanDerWaalsContact O-CD 3.24Å; V632-P634 WeakPolarHBondContact O-CD 3.41Å; P634-V636 PolarHBondContact O-N 3.09Å |
| 635 | H | 43.3 | Very low | 45.7 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | | | trans | -75.6 | 82.2 | 169.5 | -77.8 | 52.3 | 0 | 0 | 0 | 107.2 | K633 L637 | K633-H635 PolarHBondContact O-N 3Å; K633-H635 VanDerWaalsContact O-N 3.13Å; K633-H635 PolarHBondContact O-ND1 3.32Å; H635-L637 PolarHBondContact O-N 3.35Å |
| 636 | V | 45.2 | Very low | 46.3 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | | | trans | -59.2 | 105.1 | 169.3 | 179.6 | 0 | 0 | 0 | 0 | 106.3 | P634 T638 | P634-V636 PolarHBondContact O-N 3.09Å; V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 HydrophobicContact CG1-CG2 4.15Å; V636-T638 PolarHBondContact O-N 3.25Å |
| 637 | L | 43.8 | Very low | 46.3 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | | | trans | -76.6 | 86.1 | -177.4 | -168.5 | 65.6 | 0 | 0 | 0 | 107.5 | H635 H639 | H635-L637 PolarHBondContact O-N 3.35Å; L637-H639 VanDerWaalsContact CD2-NE2 3.31Å; L637-H639 WeakPolarHBondContact CD2-NE2 3.32Å; L637-H639 PolarHBondContact O-N 3.26Å |
| 638 | T | 50.5 | Low | 46.8 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -68.4 | 76.5 | -177.5 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | V636 L640 | V636-T638 VanDerWaalsContact C-N 3.27Å; V636-T638 HydrophobicContact CG1-CG2 4.15Å; V636-T638 PolarHBondContact O-N 3.25Å; T638-L640 VanDerWaalsContact C-N 3.25Å; T638-L640 PolarHBondContact O-N 3.02Å |
| 639 | H | 48.8 | Very low | 46.9 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | -65.9 | 91.8 | 164.2 | -78.7 | -63.8 | 0 | 0 | 0 | 108.2 | L637 I641 | L637-H639 VanDerWaalsContact CD2-NE2 3.31Å; L637-H639 WeakPolarHBondContact CD2-NE2 3.32Å; L637-H639 PolarHBondContact O-N 3.26Å; H639-I641 PolarHBondContact O-N 2.88Å |
| 640 | L | 45.8 | Very low | 47.4 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -68.6 | 84.3 | 173.8 | -157.6 | 77.2 | 0 | 0 | 0 | 108.2 | T638 E642 | T638-L640 VanDerWaalsContact C-N 3.25Å; T638-L640 PolarHBondContact O-N 3.02Å; L640-E642 PolarHBondContact O-N 3.41Å |
| 641 | I | 51.8 | Low | 47.5 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | trans | -68 | 122.9 | 171.4 | -59.8 | 179.5 | 0 | 0 | 0 | 107.1 | H639 G643 F644 | H639-I641 PolarHBondContact O-N 2.88Å; I641-G643 PolarHBondContact O-N 2.97Å; I641-F644 PolarHBondContact O-N 3Å |
| 642 | E | 54.5 | Low | 48.5 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43 | 108.2 | -178 | -168.8 | 172.6 | -174 | 0 | 0 | 112.1 | L640 | L640-E642 PolarHBondContact O-N 3.41Š|
| 643 | G | 54.2 | Low | 48.3 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.2 | -11.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | I641 | I641-G643 PolarHBondContact O-N 2.97Š|
| 644 | F | 45 | Very low | 48.7 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | trans | -122.8 | 111.9 | -174.7 | -69.4 | -82.9 | 0 | 0 | 0 | 114.6 | I641 I646 | I641-F644 PolarHBondContact O-N 3Å; F644-I646 PolarHBondContact O-N 3.11Å |
| 645 | V | 50.1 | Low | 48.5 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | | | trans | -80.8 | 103.4 | 166.3 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | Q647 | V645-Q647 PolarHBondContact O-N 3.42Š|
| 646 | I | 52.2 | Low | 48.5 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | | | trans | -78.1 | 99.1 | 168.7 | -49.9 | 177.2 | 0 | 0 | 0 | 107.5 | F644 E648 | F644-I646 PolarHBondContact O-N 3.11Å; I646-E648 PolarHBondContact O-N 3.22Å |
| 647 | Q | 47.1 | Very low | 48.3 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -83 | 95.5 | 173.3 | -173.7 | 137.5 | 79.4 | 0 | 0 | 108.8 | V645 G649 | V645-Q647 PolarHBondContact O-N 3.42Å; Q647-G649 PolarHBondContact O-N 3.34Å |
| 648 | E | 55.9 | Low | 48.2 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -61 | 119 | 172.7 | -75.8 | -161.4 | 137.8 | 0 | 0 | 110.2 | I646 | I646-E648 PolarHBondContact O-N 3.22Š|
| 649 | G | 44.6 | Very low | 47.9 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | -75.9 | 131.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q647 E651 | Q647-G649 PolarHBondContact O-N 3.34Å; G649-E651 PolarHBondContact O-N 2.96Å |
| 650 | A | 48.8 | Very low | 47.5 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | | | trans | -77.8 | 84.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 651 | E | 43.7 | Very low | 47.4 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -141.3 | 106.9 | 174 | -112.8 | -88.5 | 110.8 | 0 | 0 | 109 | G649 | G649-E651 PolarHBondContact O-N 2.96Š|
| 652 | P | 61.4 | Low | 47.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -77.3 | 132.2 | 175.7 | 30.9 | -32.1 | 0 | 0 | 0 | 110.8 | | |
| 653 | F | 36.1 | Very low | 46.9 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -49.5 | 130.1 | -176.2 | -63.9 | -88.8 | 0 | 0 | 0 | 113.6 | V655 | F653-V655 PolarHBondContact O-N 3.01Å; F653-V655 VanDerWaalsContact O-N 3.15Å |
| 654 | P | 52.7 | Low | 46.5 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | trans | -69.5 | 111.7 | 177.8 | 26.9 | -33.8 | 0 | 0 | 0 | 111.4 | C656 | P654-C656 PolarHBondContact O-N 3.44Å; P654-C656 VanDerWaalsContact O-N 3.16Å |
| 655 | V | 44.1 | Very low | 46.6 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | | | trans | -77.1 | 94.7 | 172.4 | -82 | 0 | 0 | 0 | 0 | 110.8 | F653 T657 | F653-V655 PolarHBondContact O-N 3.01Å; F653-V655 VanDerWaalsContact O-N 3.15Å; V655-T657 PolarHBondContact O-N 3.49Å |
| 656 | C | 43.3 | Very low | 46.4 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | | | trans | -69.4 | 87.5 | 174.8 | -66.2 | 0 | 0 | 0 | 0 | 112 | P654 I658 | P654-C656 PolarHBondContact O-N 3.44Å; P654-C656 VanDerWaalsContact O-N 3.16Å; C656-I658 PolarHBondContact O-N 2.83Å; C656-I658 VanDerWaalsContact O-N 3.1Å |
| 657 | T | 39.2 | Very low | 46.1 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -68 | 102 | 172.2 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | V655 H659 | V655-T657 PolarHBondContact O-N 3.49Å; T657-H659 PolarHBondContact O-N 3.47Å; T657-H659 VanDerWaalsContact O-N 3.17Å |
| 658 | I | 42.4 | Very low | 46 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | -76 | 102.4 | 174 | -59 | 178 | 0 | 0 | 0 | 109.1 | C656 F660 | C656-I658 PolarHBondContact O-N 2.83Å; C656-I658 VanDerWaalsContact O-N 3.1Å; I658-F660 PolarHBondContact O-N 3.4Å |
| 659 | H | 44.6 | Very low | 45.3 | Very low | 153 Ų | 153 | 141.7 Ų | 141.7 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -82.5 | 100.2 | 174.3 | -172.2 | -88.5 | 0 | 0 | 0 | 110.4 | T657 L661 | T657-H659 PolarHBondContact O-N 3.47Å; T657-H659 VanDerWaalsContact O-N 3.17Å; H659-L661 PolarHBondContact O-N 3.01Å |
| 660 | F | 40.3 | Very low | 45.4 | Very low | 179 Ų | 179 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -79 | 87.6 | -178.5 | -142.1 | -80.7 | 0 | 0 | 0 | 110.8 | I658 I662 | I658-F660 PolarHBondContact O-N 3.4Å; F660-I662 HydrophobicContact CD1-CG1 4.32Å; F660-I662 PolarHBondContact O-N 3.41Å |
| 661 | L | 44.5 | Very low | 45.1 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -78.6 | 112.6 | 174.3 | -167.3 | 74 | 0 | 0 | 0 | 109.4 | H659 | H659-L661 PolarHBondContact O-N 3.01Š|
| 662 | I | 48.5 | Very low | 45.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -83.3 | 136.5 | 171.7 | -59.4 | 175.1 | 0 | 0 | 0 | 108.5 | F660 | F660-I662 HydrophobicContact CD1-CG1 4.32Å; F660-I662 PolarHBondContact O-N 3.41Å |
| 663 | H | 45.8 | Very low | 43.8 | Very low | 239 Ų | 239 | 152.4 Ų | 152.4 | 100% | 1.106 | 79% | 0.792 | S | S | * | * | | | trans | -143.9 | 0 | 172.5 | -165.4 | -38 | 0 | 0 | 0 | 108.8 | | |