| 1 | M | 56.1 | Low | 67.5 | Low | 197 Ų | 197 | 95.3 Ų | 95.3 | 97% | 0.97 | 52% | 0.515 | S | S | * | . | | | | 0 | -58.2 | 0 | -135.8 | 159.4 | 175.7 | 0 | 0 | 111.7 | L3 V4 I5 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 3.3Å; M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 PolarHBondContact O-N 3.23Å |
| 2 | N | 54.7 | Low | 67.9 | Low | 127 Ų | 127 | 95.2 Ų | 95.2 | 68% | 0.679 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -49.5 | -40.7 | -173.5 | -56.2 | 5.8 | 0 | 0 | 0 | 115.3 | V4 I5 C6 | N2-V4 VanDerWaalsContact C-N 3.33Å; N2-V4 PolarHBondContact O-N 3.26Å; N2-I5 PolarHBondContact O-N 3.01Å; N2-C6 PolarHBondContact O-N 3.2Å; N2-C6 PolarHBondContact O-SG 3.3Å |
| 3 | L | 66.2 | Low | 68.6 | Low | 128 Ų | 128 | 101.1 Ų | 101.1 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | -180 | -121.1 | 165.2 | 0 | 0 | 0 | 113.3 | M1 C6 V7 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 VanDerWaalsContact O-N 3.1Å; L3-C6 PolarHBondContact O-N 3.32Å; L3-V7 HydrophobicContact CD2-CG2 4.48Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.26Å |
| 4 | V | 66.3 | Low | 68.5 | Low | 63 Ų | 63 | 96.1 Ų | 96.1 | 38% | 0.382 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | M1 N2 V7 L8 F59 | M1-V4 PolarHBondContact O-N 3.3Å; N2-V4 VanDerWaalsContact C-N 3.33Å; N2-V4 PolarHBondContact O-N 3.26Å; V4-V7 PolarHBondContact O-N 3.13Å; V4-L8 HydrophobicContact CG1-CD1 4.07Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 WeakPolarHBondContact O-CG 3.46Å; V4-L8 PolarHBondContact O-N 3.22Å; V4-F59 HydrophobicContact CG2-CE1 4.46Å; V4-F59 HydrophobicContact CG2-CE2 4.19Å; V4-F59 HydrophobicContact CG2-CZ 3.6Å |
| 5 | I | 71.6 | Confident | 68.1 | Low | 85 Ų | 85 | 95.9 Ų | 95.9 | 44% | 0.436 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.9 | -61.3 | 167.8 | 0 | 0 | 0 | 109.8 | M1 N2 L8 L9 | M1-I5 HydrophobicContact CG-CD1 4.45Å; M1-I5 PolarHBondContact O-N 3.23Å; N2-I5 PolarHBondContact O-N 3.01Å; I5-L8 PolarHBondContact O-N 3.32Å; I5-L9 HydrophobicContact CG2-CD1 3.8Å; I5-L9 HydrophobicContact CG2-CG 4.31Å; I5-L9 WeakPolarHBondContact O-CB 3.46Å; I5-L9 VanDerWaalsContact O-CG 3.24Å; I5-L9 WeakPolarHBondContact O-CG 3.42Å; I5-L9 PolarHBondContact O-N 3.12Å |
| 6 | C | 68 | Low | 67.8 | Low | 67 Ų | 67 | 95.9 Ų | 95.9 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.6 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | N2 L3 L9 L10 | N2-C6 PolarHBondContact O-N 3.2Å; N2-C6 PolarHBondContact O-SG 3.3Å; L3-C6 PolarHBondContact O-N 3.32Å; C6-L9 PolarHBondContact O-N 3.11Å; C6-L10 WeakPolarHBondContact O-CB 3.49Å; C6-L10 WeakPolarHBondContact O-CD1 3.42Å; C6-L10 PolarHBondContact O-N 2.92Å |
| 7 | V | 74.8 | Confident | 67.2 | Low | 39 Ų | 39 | 93.1 Ų | 93.1 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L3 V4 L10 S11 | L3-V7 HydrophobicContact CD2-CG2 4.48Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-V7 PolarHBondContact O-N 3.26Å; V4-V7 PolarHBondContact O-N 3.13Å; V7-L10 PolarHBondContact O-N 3.47Å; V7-S11 PolarHBondContact O-N 2.85Å; V7-S11 PolarHBondContact O-OG 3.14Å; V7-S11 VanDerWaalsContact O-OG 3.11Å |
| 8 | L | 72.2 | Confident | 66.6 | Low | 100 Ų | 100 | 91 Ų | 91 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.9 | -73.2 | 168.7 | 0 | 0 | 0 | 111.8 | V4 I5 S11 I12 | V4-L8 HydrophobicContact CG1-CD1 4.07Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 WeakPolarHBondContact O-CG 3.46Å; V4-L8 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 3.32Å; L8-S11 PolarHBondContact O-N 2.99Å; L8-I12 WeakPolarHBondContact O-CB 3.5Å; L8-I12 WeakPolarHBondContact O-CD1 3.2Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.37Å |
| 9 | L | 71.9 | Confident | 65.8 | Low | 102 Ų | 102 | 90.7 Ų | 90.7 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.3 | -72.5 | 171.7 | 0 | 0 | 0 | 112 | I5 C6 I12 W13 | I5-L9 HydrophobicContact CG2-CD1 3.8Å; I5-L9 HydrophobicContact CG2-CG 4.31Å; I5-L9 WeakPolarHBondContact O-CB 3.46Å; I5-L9 VanDerWaalsContact O-CG 3.24Å; I5-L9 WeakPolarHBondContact O-CG 3.42Å; I5-L9 PolarHBondContact O-N 3.12Å; C6-L9 PolarHBondContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 3.15Å; L9-W13 WeakPolarHBondContact O-CB 3.5Å; L9-W13 PolarHBondContact O-N 3.05Å |
| 10 | L | 74.5 | Confident | 64.9 | Low | 111 Ų | 111 | 90.8 Ų | 90.8 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.9 | -40.7 | 173.2 | -96.6 | 80.8 | 0 | 0 | 0 | 111.9 | C6 V7 T14 | C6-L10 WeakPolarHBondContact O-CB 3.49Å; C6-L10 WeakPolarHBondContact O-CD1 3.42Å; C6-L10 PolarHBondContact O-N 2.92Å; V7-L10 PolarHBondContact O-N 3.47Å; L10-T14 WeakPolarHBondContact O-CB 3.26Å; L10-T14 PolarHBondContact O-N 3.25Å; L10-T14 PolarHBondContact O-OG1 3.17Å |
| 11 | S | 66.8 | Low | 64.3 | Low | 29 Ų | 29 | 92.6 Ų | 92.6 | 20% | 0.203 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 113 | V7 L8 T14 N15 | V7-S11 PolarHBondContact O-N 2.85Å; V7-S11 PolarHBondContact O-OG 3.14Å; V7-S11 VanDerWaalsContact O-OG 3.11Å; L8-S11 PolarHBondContact O-N 2.99Å; S11-T14 PolarHBondContact O-OG1 3.12Å; S11-N15 WeakPolarHBondContact O-CB 3.37Å; S11-N15 PolarHBondContact O-N 3.3Å; S11-N15 VanDerWaalsContact O-N 3.09Å; S11-N15 PolarHBondContact O-ND2 3.12Å |
| 12 | I | 72.1 | Confident | 64.1 | Low | 94 Ų | 94 | 90.5 Ų | 90.5 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 175.3 | -67.7 | 162.7 | 0 | 0 | 0 | 110.1 | L8 L9 N15 N16 | L8-I12 WeakPolarHBondContact O-CB 3.5Å; L8-I12 WeakPolarHBondContact O-CD1 3.2Å; L8-I12 VanDerWaalsContact O-CG1 3.26Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.37Å; L9-I12 PolarHBondContact O-N 3.15Å; I12-N15 PolarHBondContact O-N 3.29Å; I12-N16 WeakPolarHBondContact O-CB 3.33Å; I12-N16 PolarHBondContact O-N 3.43Å |
| 13 | W | 76.1 | Confident | 63.9 | Low | 172 Ų | 172 | 88.8 Ų | 88.8 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 178.9 | -178.7 | 69.8 | 0 | 0 | 0 | 112.4 | L9 N15 N16 C17 | L9-W13 WeakPolarHBondContact O-CB 3.5Å; L9-W13 PolarHBondContact O-N 3.05Å; W13-N15 PolarHBondContact O-N 3.44Å; W13-N16 PolarHBondContact O-N 3.23Å; W13-C17 WeakPolarHBondContact O-CB 3.32Å; W13-C17 PolarHBondContact O-N 3.25Å |
| 14 | T | 68.2 | Low | 62.9 | Low | 32 Ų | 32 | 90.8 Ų | 90.8 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.6 | 43.4 | 0 | 0 | 0 | 0 | 112.9 | L10 S11 M18 L48 | L10-T14 WeakPolarHBondContact O-CB 3.26Å; L10-T14 PolarHBondContact O-N 3.25Å; L10-T14 PolarHBondContact O-OG1 3.17Å; S11-T14 PolarHBondContact O-OG1 3.12Å; T14-M18 WeakPolarHBondContact O-CB 3.48Å; T14-M18 WeakPolarHBondContact O-CG 3.27Å; T14-M18 PolarHBondContact O-N 3.08Å; T14-M18 VanDerWaalsContact O-N 3.11Å; T14-L48 HydrophobicContact CG2-CD2 4.18Å |
| 15 | N | 62.1 | Low | 61.8 | Low | 93 Ų | 93 | 91.1 Ų | 91.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 173.4 | -87.3 | -34.8 | 0 | 0 | 0 | 112.4 | S11 I12 W13 M18 T19 | S11-N15 WeakPolarHBondContact O-CB 3.37Å; S11-N15 PolarHBondContact O-N 3.3Å; S11-N15 VanDerWaalsContact O-N 3.09Å; S11-N15 PolarHBondContact O-ND2 3.12Å; I12-N15 PolarHBondContact O-N 3.29Å; W13-N15 PolarHBondContact O-N 3.44Å; N15-M18 PolarHBondContact O-N 2.97Å; N15-M18 VanDerWaalsContact O-N 3.15Å; N15-T19 PolarHBondContact O-N 3.09Å; N15-T19 VanDerWaalsContact O-N 3.12Å; N15-T19 PolarHBondContact O-OG1 3.4Å |
| 16 | N | 63.4 | Low | 60.7 | Low | 96 Ų | 96 | 92.9 Ų | 92.9 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 179 | -78.8 | -5.1 | 0 | 0 | 0 | 112.3 | I12 W13 M18 T19 T20 | I12-N16 WeakPolarHBondContact O-CB 3.33Å; I12-N16 PolarHBondContact O-N 3.43Å; W13-N16 PolarHBondContact O-N 3.23Å; N16-M18 PolarHBondContact O-N 3.45Å; N16-T19 WeakPolarHBondContact CA-OG1 3.38Å; N16-T19 PolarHBondContact O-N 3.26Å; N16-T19 PolarHBondContact O-OG1 2.93Å; N16-T20 PolarHBondContact O-N 3.12Å; N16-T20 VanDerWaalsContact O-N 3.12Å; N16-T20 PolarHBondContact O-OG1 3.37Å; N16-T20 VanDerWaalsContact O-OG1 3.11Å |
| 17 | C | 56.9 | Low | 59.4 | Low | 48 Ų | 48 | 95.2 Ų | 95.2 | 32% | 0.324 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -28.5 | 172.6 | -81.8 | 0 | 0 | 0 | 0 | 112.9 | W13 N21 | W13-C17 WeakPolarHBondContact O-CB 3.32Å; W13-C17 PolarHBondContact O-N 3.25Å; C17-N21 PolarHBondContact O-ND2 3.29Å |
| 18 | M | 56.8 | Low | 58.2 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 27% | 0.271 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.2 | -23.7 | 175.4 | -73.9 | -73 | 101.3 | 0 | 0 | 113.8 | T14 N15 N16 R45 | T14-M18 WeakPolarHBondContact O-CB 3.48Å; T14-M18 WeakPolarHBondContact O-CG 3.27Å; T14-M18 PolarHBondContact O-N 3.08Å; T14-M18 VanDerWaalsContact O-N 3.11Å; N15-M18 PolarHBondContact O-N 2.97Å; N15-M18 VanDerWaalsContact O-N 3.15Å; N16-M18 PolarHBondContact O-N 3.45Å; M18-R45 HydrophobicContact SD-CB 4.26Å; M18-R45 HydrophobicContact SD-CG 3.82Å |
| 19 | T | 51.8 | Low | 56.7 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -84.1 | -40.7 | 176.1 | 40.9 | 0 | 0 | 0 | 0 | 113.1 | N15 N16 N21 Q22 | N15-T19 PolarHBondContact O-N 3.09Å; N15-T19 VanDerWaalsContact O-N 3.12Å; N15-T19 PolarHBondContact O-OG1 3.4Å; N16-T19 WeakPolarHBondContact CA-OG1 3.38Å; N16-T19 PolarHBondContact O-N 3.26Å; N16-T19 PolarHBondContact O-OG1 2.93Å; T19-N21 VanDerWaalsContact C-N 3.28Å; T19-N21 PolarHBondContact O-N 3.39Å; T19-Q22 PolarHBondContact O-N 3.09Å |
| 20 | T | 47.3 | Very low | 55.9 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.9 | -33.6 | -177.5 | -51 | 0 | 0 | 0 | 0 | 112.9 | N16 Q22 T23 | N16-T20 PolarHBondContact O-N 3.12Å; N16-T20 VanDerWaalsContact O-N 3.12Å; N16-T20 PolarHBondContact O-OG1 3.37Å; N16-T20 VanDerWaalsContact O-OG1 3.11Å; T20-Q22 PolarHBondContact O-N 3.11Å; T20-Q22 VanDerWaalsContact O-N 3.12Å; T20-T23 PolarHBondContact O-N 2.91Å; T20-T23 PolarHBondContact O-OG1 3.37Å |
| 21 | N | 52 | Low | 54.5 | Low | 130 Ų | 130 | 98.1 Ų | 98.1 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 0.5 | -178 | -77.8 | -55.9 | 0 | 0 | 0 | 115.4 | C17 T19 | C17-N21 PolarHBondContact O-ND2 3.29Å; T19-N21 VanDerWaalsContact C-N 3.28Å; T19-N21 PolarHBondContact O-N 3.39Å |
| 22 | Q | 52.3 | Low | 53.9 | Low | 152 Ų | 152 | 106.7 Ų | 106.7 | 71% | 0.71 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -0.2 | 174.1 | -74.2 | -155.2 | 107.4 | 0 | 0 | 114.5 | T19 T20 | T19-Q22 PolarHBondContact O-N 3.09Å; T20-Q22 PolarHBondContact O-N 3.11Å; T20-Q22 VanDerWaalsContact O-N 3.12Å |
| 23 | T | 50.1 | Low | 52.9 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | | | trans | -125.6 | 129.1 | 178.6 | 41.1 | 0 | 0 | 0 | 0 | 109.7 | T20 | T20-T23 PolarHBondContact O-N 2.91Å; T20-T23 PolarHBondContact O-OG1 3.37Å |
| 24 | N | 46.9 | Very low | 52.1 | Low | 170 Ų | 170 | 103.1 Ų | 103.1 | 91% | 0.909 | 64% | 0.639 | S | S | * | * | | | trans | 93.9 | 117 | -168.3 | -52.3 | -27.2 | 0 | 0 | 0 | 112.5 | | |
| 25 | G | 43.1 | Very low | 51.5 | Low | 70 Ų | 70 | 109 Ų | 109 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | | | cis | -172.5 | 164.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S27 | G25-S27 PolarHBondContact O-N 3.5Š|
| 26 | S | 47.8 | Very low | 51.4 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | | | trans | -59.7 | 121.5 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 27 | S | 41 | Very low | 51.3 | Low | 115 Ų | 115 | 110.1 Ų | 110.1 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | | | trans | -131.6 | 101.4 | 169.3 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | G25 T29 | G25-S27 PolarHBondContact O-N 3.5Å; S27-T29 PolarHBondContact O-N 2.77Å |
| 28 | T | 49.1 | Very low | 51.5 | Low | 128 Ų | 128 | 113 Ų | 113 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | | | trans | -78.3 | 98.3 | 179.2 | -40.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 29 | T | 41.7 | Very low | 52 | Low | 135 Ų | 135 | 114.8 Ų | 114.8 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | | | trans | -166 | 137 | 151.9 | -74.7 | 0 | 0 | 0 | 0 | 108.8 | S27 | S27-T29 PolarHBondContact O-N 2.77Š|
| 30 | G | 54.3 | Low | 53 | Low | 81 Ų | 81 | 118.2 Ų | 118.2 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | | | trans | -78.6 | 145.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 31 | G | 45.6 | Very low | 54.6 | Low | 70 Ų | 70 | 118.8 Ų | 118.8 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | | | trans | 173.3 | 122.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 32 | K | 53.8 | Low | 55.9 | Low | 208 Ų | 208 | 117 Ų | 117 | 90% | 0.904 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -71.3 | 162.3 | 176.6 | -57.5 | 176.3 | -179.1 | 178.4 | 0 | 111.1 | | |
| 33 | P | 51 | Low | 57.4 | Low | 82 Ų | 82 | 117 Ų | 117 | 53% | 0.532 | 69% | 0.687 | S | S | . | * | | | cis | -124.7 | 114.6 | -16.8 | 33.2 | -14.7 | 0 | 0 | 0 | 112.3 | E35 S36 | P33-E35 VanDerWaalsContact C-N 3.27Å; P33-E35 PolarHBondContact O-N 3.36Å; P33-S36 PolarHBondContact O-N 3Å; P33-S36 PolarHBondContact O-OG 3.42Å |
| 34 | V | 58.2 | Low | 58.9 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 67% | 0.667 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -27.7 | -175.1 | 178.1 | 0 | 0 | 0 | 0 | 113.5 | S36 M37 Q38 | V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.13Å; V34-M37 PolarHBondContact O-N 3.48Å; V34-Q38 PolarHBondContact O-N 2.85Å |
| 35 | E | 57.2 | Low | 60.6 | Low | 156 Ų | 156 | 114.2 Ų | 114.2 | 73% | 0.729 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -58.4 | -28.1 | -179.6 | -66.1 | 176.1 | 119 | 0 | 0 | 114.1 | P33 Q38 T39 | P33-E35 VanDerWaalsContact C-N 3.27Å; P33-E35 PolarHBondContact O-N 3.36Å; E35-Q38 PolarHBondContact O-N 3.01Å; E35-T39 WeakPolarHBondContact O-CG2 3.32Å; E35-T39 PolarHBondContact O-N 3.48Å; E35-T39 VanDerWaalsContact O-N 3.14Å; E35-T39 PolarHBondContact O-OG1 3.33Å |
| 36 | S | 59.2 | Low | 62.6 | Low | 65 Ų | 65 | 119.5 Ų | 119.5 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -71.6 | -28.8 | -177.5 | 67.5 | 0 | 0 | 0 | 0 | 114 | P33 V34 T39 | P33-S36 PolarHBondContact O-N 3Å; P33-S36 PolarHBondContact O-OG 3.42Å; V34-S36 PolarHBondContact O-N 2.87Å; V34-S36 VanDerWaalsContact O-N 3.13Å; S36-T39 PolarHBondContact O-OG1 2.97Å |
| 37 | M | 60.8 | Low | 64.4 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -80.9 | -39.1 | 172.5 | -85.8 | -166.7 | 165.8 | 0 | 0 | 111.6 | V34 T39 K40 L41 | V34-M37 PolarHBondContact O-N 3.48Å; M37-T39 PolarHBondContact O-N 3.47Å; M37-K40 PolarHBondContact O-N 3.5Å; M37-L41 PolarHBondContact O-N 2.94Å |
| 38 | Q | 61.9 | Low | 66.6 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 51% | 0.514 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.2 | -36.2 | -174.7 | -152.5 | 151.1 | 22.3 | 0 | 0 | 112 | V34 E35 L41 N42 | V34-Q38 PolarHBondContact O-N 2.85Å; E35-Q38 PolarHBondContact O-N 3.01Å; Q38-L41 PolarHBondContact O-N 3.04Å; Q38-N42 WeakPolarHBondContact O-CB 3.44Å; Q38-N42 PolarHBondContact O-N 2.96Å; Q38-N42 PolarHBondContact O-ND2 3.03Å; Q38-N42 VanDerWaalsContact O-ND2 3.12Å |
| 39 | T | 68.1 | Low | 68.4 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.4 | -42.2 | 171.4 | 45.6 | 0 | 0 | 0 | 0 | 113 | E35 S36 M37 N42 Y43 | E35-T39 WeakPolarHBondContact O-CG2 3.32Å; E35-T39 PolarHBondContact O-N 3.48Å; E35-T39 VanDerWaalsContact O-N 3.14Å; E35-T39 PolarHBondContact O-OG1 3.33Å; S36-T39 PolarHBondContact O-OG1 2.97Å; M37-T39 PolarHBondContact O-N 3.47Å; T39-N42 PolarHBondContact O-N 3.35Å; T39-Y43 PolarHBondContact O-N 3.3Å; T39-Y43 VanDerWaalsContact O-N 3.08Å |
| 40 | K | 72.6 | Confident | 70.6 | Confident | 157 Ų | 157 | 111.2 Ų | 111.2 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 174.4 | -78 | -178.3 | 175.6 | 178.5 | 0 | 112.8 | M37 Y43 L44 | M37-K40 PolarHBondContact O-N 3.5Å; K40-Y43 PolarHBondContact O-N 3.38Å; K40-L44 WeakPolarHBondContact O-CG 3.16Å; K40-L44 PolarHBondContact O-N 2.87Å |
| 41 | L | 79.4 | Confident | 72.1 | Confident | 105 Ų | 105 | 112 Ų | 112 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 176.6 | -83.4 | 166.2 | 0 | 0 | 0 | 112.1 | M37 Q38 Y43 L44 R45 | M37-L41 PolarHBondContact O-N 2.94Å; Q38-L41 PolarHBondContact O-N 3.04Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 3.31Å; L41-L44 PolarHBondContact O-N 3.21Å; L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 PolarHBondContact O-N 3.39Å |
| 42 | N | 80.8 | Confident | 74.2 | Confident | 93 Ų | 93 | 110.3 Ų | 110.3 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176 | -76.7 | -35 | 0 | 0 | 0 | 112.7 | Q38 T39 R46 | Q38-N42 WeakPolarHBondContact O-CB 3.44Å; Q38-N42 PolarHBondContact O-N 2.96Å; Q38-N42 PolarHBondContact O-ND2 3.03Å; Q38-N42 VanDerWaalsContact O-ND2 3.12Å; T39-N42 PolarHBondContact O-N 3.35Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 PolarHBondContact O-N 2.92Å |
| 43 | Y | 82.6 | Confident | 75.8 | Confident | 150 Ų | 150 | 102 Ų | 102 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -47.5 | 173.1 | -179.8 | -100.5 | 0 | 0 | 0 | 112.1 | T39 K40 L41 R45 R46 N47 | T39-Y43 PolarHBondContact O-N 3.3Å; T39-Y43 VanDerWaalsContact O-N 3.08Å; K40-Y43 PolarHBondContact O-N 3.38Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 3.31Å; Y43-R45 PolarHBondContact O-N 2.85Å; Y43-R46 PolarHBondContact O-N 2.87Å; Y43-N47 WeakPolarHBondContact CE1-ND2 3.48Å; Y43-N47 PolarHBondContact O-N 3.35Å; Y43-N47 PolarHBondContact OH-ND2 2.94Å; Y43-N47 VanDerWaalsContact OH-ND2 3.16Å |
| 44 | L | 81.3 | Confident | 77.5 | Confident | 110 Ų | 110 | 102.5 Ų | 102.5 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 175.9 | -71.5 | 171.8 | 0 | 0 | 0 | 112.1 | K40 L41 R46 N47 L48 | K40-L44 WeakPolarHBondContact O-CG 3.16Å; K40-L44 PolarHBondContact O-N 2.87Å; L41-L44 PolarHBondContact O-N 3.21Å; L44-R46 PolarHBondContact O-N 3.23Å; L44-N47 PolarHBondContact O-N 3.11Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 PolarHBondContact O-N 2.95Å |
| 45 | R | 83.7 | Confident | 78.9 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.3 | -173.5 | 177.3 | -175.3 | -178.4 | 4.1 | 111.7 | M18 L41 Y43 L48 L49 | M18-R45 HydrophobicContact SD-CB 4.26Å; M18-R45 HydrophobicContact SD-CG 3.82Å; L41-R45 WeakPolarHBondContact O-CB 3.3Å; L41-R45 PolarHBondContact O-N 3.39Å; Y43-R45 PolarHBondContact O-N 2.85Å; R45-L48 PolarHBondContact O-N 3.43Å; R45-L49 HydrophobicContact CG-CD1 4.37Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 2.7Å |
| 46 | R | 85.6 | Confident | 80.4 | Confident | 181 Ų | 181 | 97.4 Ų | 97.4 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 177.1 | -171.2 | 175.5 | -178 | 177.6 | 0.3 | 111.6 | N42 Y43 L44 L49 I50 | N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 PolarHBondContact O-N 2.92Å; Y43-R46 PolarHBondContact O-N 2.87Å; L44-R46 PolarHBondContact O-N 3.23Å; R46-L49 PolarHBondContact O-N 2.93Å; R46-I50 HydrophobicContact CG-CD1 4.13Å; R46-I50 WeakPolarHBondContact O-CD1 3.19Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.31Å; R46-I50 PolarHBondContact O-N 2.92Å |
| 47 | N | 84.6 | Confident | 81.8 | Confident | 63 Ų | 63 | 100.8 Ų | 100.8 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.7 | -76.9 | 8.2 | 0 | 0 | 0 | 112.4 | Y43 L44 I50 L51 | Y43-N47 WeakPolarHBondContact CE1-ND2 3.48Å; Y43-N47 PolarHBondContact O-N 3.35Å; Y43-N47 PolarHBondContact OH-ND2 2.94Å; Y43-N47 VanDerWaalsContact OH-ND2 3.16Å; L44-N47 PolarHBondContact O-N 3.11Å; N47-I50 PolarHBondContact O-N 3.47Å; N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 PolarHBondContact O-N 3.25Å |
| 48 | L | 87.4 | Confident | 83.1 | Confident | 66 Ų | 66 | 97.6 Ų | 97.6 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.3 | -176.6 | 64.2 | 0 | 0 | 0 | 111.5 | T14 L44 R45 I50 L51 V52 | T14-L48 HydrophobicContact CG2-CD2 4.18Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 PolarHBondContact O-N 2.95Å; R45-L48 PolarHBondContact O-N 3.43Å; L48-I50 VanDerWaalsContact C-N 3.33Å; L48-I50 PolarHBondContact O-N 3.28Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-V52 HydrophobicContact CD1-CG2 4.47Å; L48-V52 WeakPolarHBondContact O-CB 3.34Å; L48-V52 VanDerWaalsContact O-CG2 3.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.17Å; L48-V52 PolarHBondContact O-N 3.38Å |
| 49 | L | 87.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 175 | -71.4 | 170.1 | 0 | 0 | 0 | 112.2 | R45 R46 G53 | R45-L49 HydrophobicContact CG-CD1 4.37Å; R45-L49 VanDerWaalsContact O-CG 3.32Å; R45-L49 WeakPolarHBondContact O-CG 3.49Å; R45-L49 PolarHBondContact O-N 2.7Å; R46-L49 PolarHBondContact O-N 2.93Å; L49-G53 PolarHBondContact O-N 2.89Å |
| 50 | I | 86.5 | Confident | 85.4 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 173.5 | -68.6 | 162.9 | 0 | 0 | 0 | 110.6 | R46 N47 L48 G53 I54 | R46-I50 HydrophobicContact CG-CD1 4.13Å; R46-I50 WeakPolarHBondContact O-CD1 3.19Å; R46-I50 VanDerWaalsContact O-CG1 3.27Å; R46-I50 WeakPolarHBondContact O-CG1 3.31Å; R46-I50 PolarHBondContact O-N 2.92Å; N47-I50 PolarHBondContact O-N 3.47Å; L48-I50 VanDerWaalsContact C-N 3.33Å; L48-I50 PolarHBondContact O-N 3.28Å; I50-G53 PolarHBondContact O-N 3.34Å; I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 WeakPolarHBondContact O-CG1 3.33Å; I50-I54 PolarHBondContact O-N 3.4Å |
| 51 | L | 86.7 | Confident | 86.1 | Confident | 96 Ų | 96 | 94.1 Ų | 94.1 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 178.6 | -175.8 | 66.6 | 0 | 0 | 0 | 112 | N47 L48 G53 I54 I55 | N47-L51 WeakPolarHBondContact O-CB 3.24Å; N47-L51 PolarHBondContact O-N 3.25Å; L48-L51 PolarHBondContact O-N 3.48Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.16Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-I55 HydrophobicContact CG-CD1 4.12Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 2.86Å |
| 52 | V | 89 | Confident | 86.6 | Confident | 35 Ų | 35 | 92.8 Ų | 92.8 | 21% | 0.212 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 174.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L48 I54 I55 I56 | L48-V52 HydrophobicContact CD1-CG2 4.47Å; L48-V52 WeakPolarHBondContact O-CB 3.34Å; L48-V52 VanDerWaalsContact O-CG2 3.31Å; L48-V52 WeakPolarHBondContact O-CG2 3.17Å; L48-V52 PolarHBondContact O-N 3.38Å; V52-I54 PolarHBondContact O-N 3.24Å; V52-I55 PolarHBondContact O-N 3.46Å; V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.5Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.34Å; V52-I56 PolarHBondContact O-N 2.91Å |
| 53 | G | 87.6 | Confident | 86.9 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 34% | 0.34 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L49 I50 L51 I56 M57 | L49-G53 PolarHBondContact O-N 2.89Å; I50-G53 PolarHBondContact O-N 3.34Å; L51-G53 VanDerWaalsContact C-N 3.32Å; L51-G53 PolarHBondContact O-N 3.16Å; G53-I56 PolarHBondContact O-N 3.27Å; G53-M57 WeakPolarHBondContact O-CG 3.48Å; G53-M57 PolarHBondContact O-N 3.12Å |
| 54 | I | 87.6 | Confident | 87.2 | Confident | 94 Ų | 94 | 89.7 Ų | 89.7 | 48% | 0.482 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.4 | -68.1 | 163.3 | 0 | 0 | 0 | 110.8 | I50 L51 V52 I56 M57 V58 | I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 WeakPolarHBondContact O-CG1 3.33Å; I50-I54 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 2.86Å; V52-I54 PolarHBondContact O-N 3.24Å; I54-I56 VanDerWaalsContact C-N 3.33Å; I54-I56 PolarHBondContact O-N 2.92Å; I54-M57 PolarHBondContact O-N 3.32Å; I54-V58 HydrophobicContact CG2-CG2 4.36Å; I54-V58 WeakPolarHBondContact O-CG2 3.31Å; I54-V58 PolarHBondContact O-N 3Å |
| 55 | I | 87.8 | Confident | 87.5 | Confident | 83 Ų | 83 | 87 Ų | 87 | 43% | 0.426 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 177.6 | -68.2 | 163.5 | 0 | 0 | 0 | 110.7 | L51 V52 F59 | L51-I55 HydrophobicContact CG-CD1 4.12Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 2.86Å; V52-I55 PolarHBondContact O-N 3.46Å; I55-F59 VanDerWaalsContact O-CB 3.27Å; I55-F59 WeakPolarHBondContact O-CB 3.31Å; I55-F59 PolarHBondContact O-N 3.43Å |
| 56 | I | 88.6 | Confident | 87.7 | Confident | 76 Ų | 76 | 89.6 Ų | 89.6 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 176.4 | -67.8 | 164.8 | 0 | 0 | 0 | 110.9 | V52 G53 I54 F59 V60 | V52-I56 HydrophobicContact CG1-CD1 3.83Å; V52-I56 HydrophobicContact CG1-CG1 4.5Å; V52-I56 VanDerWaalsContact O-CG1 3.3Å; V52-I56 WeakPolarHBondContact O-CG1 3.34Å; V52-I56 PolarHBondContact O-N 2.91Å; G53-I56 PolarHBondContact O-N 3.27Å; I54-I56 VanDerWaalsContact C-N 3.33Å; I54-I56 PolarHBondContact O-N 2.92Å; I56-F59 PolarHBondContact O-N 2.87Å; I56-V60 HydrophobicContact CG2-CG2 4.36Å; I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 3.35Å |
| 57 | M | 87.4 | Confident | 87.8 | Confident | 135 Ų | 135 | 86.6 Ų | 86.6 | 67% | 0.665 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 178.7 | -74.6 | -62.3 | -62.8 | 0 | 0 | 112.4 | G53 I54 V60 F61 | G53-M57 WeakPolarHBondContact O-CG 3.48Å; G53-M57 PolarHBondContact O-N 3.12Å; I54-M57 PolarHBondContact O-N 3.32Å; M57-V60 PolarHBondContact O-N 3.45Å; M57-F61 WeakPolarHBondContact O-CB 3.27Å; M57-F61 PolarHBondContact O-N 2.87Å |
| 58 | V | 88.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 89 Ų | 89 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I54 F61 I62 | I54-V58 HydrophobicContact CG2-CG2 4.36Å; I54-V58 WeakPolarHBondContact O-CG2 3.31Å; I54-V58 PolarHBondContact O-N 3Å; V58-F61 PolarHBondContact O-N 3.45Å; V58-I62 HydrophobicContact CG1-CD1 3.74Å; V58-I62 HydrophobicContact CG1-CG1 4.43Å; V58-I62 WeakPolarHBondContact O-CB 3.33Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 2.91Å |
| 59 | F | 88.2 | Confident | 87.7 | Confident | 65 Ų | 65 | 93.1 Ų | 93.1 | 29% | 0.285 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.5 | 176.9 | -98.9 | 0 | 0 | 0 | 112.3 | V4 I55 I56 F61 I62 C63 | V4-F59 HydrophobicContact CG2-CE1 4.46Å; V4-F59 HydrophobicContact CG2-CE2 4.19Å; V4-F59 HydrophobicContact CG2-CZ 3.6Å; I55-F59 VanDerWaalsContact O-CB 3.27Å; I55-F59 WeakPolarHBondContact O-CB 3.31Å; I55-F59 PolarHBondContact O-N 3.43Å; I56-F59 PolarHBondContact O-N 2.87Å; F59-F61 VanDerWaalsContact C-N 3.33Å; F59-F61 PolarHBondContact O-N 3.27Å; F59-I62 PolarHBondContact O-N 3.26Å; F59-C63 WeakPolarHBondContact CZ-SG 3.44Å; F59-C63 PolarHBondContact O-N 2.94Å |
| 60 | V | 89.9 | Confident | 87.4 | Confident | 84 Ų | 84 | 92.2 Ų | 92.2 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I56 M57 C63 F64 | I56-V60 HydrophobicContact CG2-CG2 4.36Å; I56-V60 WeakPolarHBondContact O-CG2 3.35Å; I56-V60 PolarHBondContact O-N 3.35Å; M57-V60 PolarHBondContact O-N 3.45Å; V60-C63 PolarHBondContact O-N 3.38Å; V60-F64 WeakPolarHBondContact O-CB 3.4Å; V60-F64 PolarHBondContact O-N 2.96Å |
| 61 | F | 88 | Confident | 86.9 | Confident | 136 Ų | 136 | 91.8 Ų | 91.8 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 175.4 | -179.1 | -100.6 | 0 | 0 | 0 | 112.1 | M57 V58 F59 C63 F64 C65 | M57-F61 WeakPolarHBondContact O-CB 3.27Å; M57-F61 PolarHBondContact O-N 2.87Å; V58-F61 PolarHBondContact O-N 3.45Å; F59-F61 VanDerWaalsContact C-N 3.33Å; F59-F61 PolarHBondContact O-N 3.27Å; F61-C63 PolarHBondContact O-N 3.23Å; F61-F64 PolarHBondContact O-N 3.41Å; F61-C65 PolarHBondContact O-N 3.1Å; F61-C65 PolarHBondContact O-SG 2.9Å; F61-C65 VanDerWaalsContact O-SG 3.34Å |
| 62 | I | 89.3 | Confident | 86.5 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 40% | 0.395 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.3 | -71.8 | 167.2 | 0 | 0 | 0 | 110.7 | V58 F59 F64 C65 Y66 | V58-I62 HydrophobicContact CG1-CD1 3.74Å; V58-I62 HydrophobicContact CG1-CG1 4.43Å; V58-I62 WeakPolarHBondContact O-CB 3.33Å; V58-I62 VanDerWaalsContact O-CG1 3.26Å; V58-I62 WeakPolarHBondContact O-CG1 3.26Å; V58-I62 PolarHBondContact O-N 2.91Å; F59-I62 PolarHBondContact O-N 3.26Å; I62-F64 PolarHBondContact O-N 2.82Å; I62-C65 PolarHBondContact O-N 3.46Å; I62-Y66 HydrophobicContact CG2-CD2 3.61Å; I62-Y66 HydrophobicContact CG2-CE2 3.6Å; I62-Y66 VanDerWaalsContact O-CD2 3.3Å; I62-Y66 WeakPolarHBondContact O-CD2 3.32Å; I62-Y66 PolarHBondContact O-N 3.44Å |
| 63 | C | 88.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 31% | 0.311 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.3 | -76.9 | 0 | 0 | 0 | 0 | 112.5 | F59 V60 F61 Y66 L67 | F59-C63 WeakPolarHBondContact CZ-SG 3.44Å; F59-C63 PolarHBondContact O-N 2.94Å; V60-C63 PolarHBondContact O-N 3.38Å; F61-C63 PolarHBondContact O-N 3.23Å; C63-Y66 PolarHBondContact O-N 3.06Å; C63-L67 WeakPolarHBondContact O-CB 3.46Å; C63-L67 VanDerWaalsContact O-CG 3.32Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 3.19Å |
| 64 | F | 89.3 | Confident | 84.4 | Confident | 133 Ų | 133 | 95.5 Ų | 95.5 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 175.1 | -177.6 | -97.2 | 0 | 0 | 0 | 111.7 | V60 F61 I62 Y66 L67 H68 | V60-F64 WeakPolarHBondContact O-CB 3.4Å; V60-F64 PolarHBondContact O-N 2.96Å; F61-F64 PolarHBondContact O-N 3.41Å; I62-F64 PolarHBondContact O-N 2.82Å; F64-Y66 PolarHBondContact O-N 3.03Å; F64-L67 PolarHBondContact O-N 3.3Å; F64-H68 WeakPolarHBondContact O-CB 3.35Å; F64-H68 PolarHBondContact O-N 3.24Å |
| 65 | C | 86.3 | Confident | 83.1 | Confident | 53 Ų | 53 | 96 Ų | 96 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.2 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | F61 I62 Y69 | F61-C65 PolarHBondContact O-N 3.1Å; F61-C65 PolarHBondContact O-SG 2.9Å; F61-C65 VanDerWaalsContact O-SG 3.34Å; I62-C65 PolarHBondContact O-N 3.46Å; C65-Y69 VanDerWaalsContact O-CB 3.22Å; C65-Y69 WeakPolarHBondContact O-CB 3.46Å; C65-Y69 PolarHBondContact O-N 2.87Å |
| 66 | Y | 88.6 | Confident | 81.7 | Confident | 149 Ų | 149 | 95.3 Ų | 95.3 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 174.9 | -88.5 | -67.6 | 0 | 0 | 0 | 112.3 | I62 C63 F64 Y69 N70 | I62-Y66 HydrophobicContact CG2-CD2 3.61Å; I62-Y66 HydrophobicContact CG2-CE2 3.6Å; I62-Y66 VanDerWaalsContact O-CD2 3.3Å; I62-Y66 WeakPolarHBondContact O-CD2 3.32Å; I62-Y66 PolarHBondContact O-N 3.44Å; C63-Y66 PolarHBondContact O-N 3.06Å; F64-Y66 PolarHBondContact O-N 3.03Å; Y66-Y69 PolarHBondContact O-N 3.36Å; Y66-N70 WeakPolarHBondContact O-CB 3.47Å; Y66-N70 PolarHBondContact O-N 2.86Å; Y66-N70 PolarHBondContact O-ND2 3.47Å |
| 67 | L | 87.8 | Confident | 80.3 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -48.5 | 176.1 | -74.4 | 167 | 0 | 0 | 0 | 110.6 | C63 F64 Y69 N70 C71 | C63-L67 WeakPolarHBondContact O-CB 3.46Å; C63-L67 VanDerWaalsContact O-CG 3.32Å; C63-L67 WeakPolarHBondContact O-CG 3.34Å; C63-L67 PolarHBondContact O-N 3.19Å; F64-L67 PolarHBondContact O-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.3Å; L67-N70 PolarHBondContact O-N 2.87Å; L67-C71 WeakPolarHBondContact O-CB 3.44Å; L67-C71 PolarHBondContact O-N 3.24Å; L67-C71 PolarHBondContact O-SG 2.88Å |
| 68 | H | 84.3 | Confident | 78.9 | Confident | 112 Ų | 112 | 93.7 Ų | 93.7 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.1 | -171.1 | -78.7 | 0 | 0 | 0 | 112.3 | F64 L72 | F64-H68 WeakPolarHBondContact O-CB 3.35Å; F64-H68 PolarHBondContact O-N 3.24Å; H68-L72 VanDerWaalsContact O-CB 3.3Å; H68-L72 WeakPolarHBondContact O-CB 3.26Å; H68-L72 PolarHBondContact O-N 2.87Å |
| 69 | Y | 85.4 | Confident | 77.4 | Confident | 153 Ų | 153 | 93.5 Ų | 93.5 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 176.6 | -179.3 | -96.6 | 0 | 0 | 0 | 112.4 | C65 Y66 L67 L72 S73 | C65-Y69 VanDerWaalsContact O-CB 3.22Å; C65-Y69 WeakPolarHBondContact O-CB 3.46Å; C65-Y69 PolarHBondContact O-N 2.87Å; Y66-Y69 PolarHBondContact O-N 3.36Å; L67-Y69 PolarHBondContact O-N 3.3Å; Y69-L72 PolarHBondContact O-N 3.34Å; Y69-S73 VanDerWaalsContact O-CB 3.25Å; Y69-S73 WeakPolarHBondContact O-CB 3.3Å; Y69-S73 PolarHBondContact O-N 3.27Å |
| 70 | N | 81 | Confident | 75.7 | Confident | 89 Ų | 89 | 93.3 Ų | 93.3 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.8 | -77.2 | -74.9 | 0 | 0 | 0 | 111.4 | Y66 L67 L72 S73 D74 | Y66-N70 WeakPolarHBondContact O-CB 3.47Å; Y66-N70 PolarHBondContact O-N 2.86Å; Y66-N70 PolarHBondContact O-ND2 3.47Å; L67-N70 PolarHBondContact O-N 2.87Å; N70-L72 PolarHBondContact O-N 3.46Å; N70-S73 PolarHBondContact O-N 3.29Å; N70-D74 WeakPolarHBondContact O-CB 3.3Å; N70-D74 PolarHBondContact O-N 2.87Å |
| 71 | C | 75.5 | Confident | 73.9 | Confident | 81 Ų | 81 | 96.8 Ų | 96.8 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L67 S73 D74 D75 | L67-C71 WeakPolarHBondContact O-CB 3.44Å; L67-C71 PolarHBondContact O-N 3.24Å; L67-C71 PolarHBondContact O-SG 2.88Å; C71-S73 VanDerWaalsContact C-N 3.33Å; C71-S73 PolarHBondContact O-N 3.35Å; C71-D74 WeakPolarHBondContact O-CB 3.22Å; C71-D74 PolarHBondContact O-N 2.76Å; C71-D75 PolarHBondContact O-N 3.48Å; C71-D75 VanDerWaalsContact O-N 3.12Å |
| 72 | L | 77.8 | Confident | 72.2 | Confident | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 178.6 | -172.1 | 65.5 | 0 | 0 | 0 | 112.7 | H68 Y69 N70 A76 | H68-L72 VanDerWaalsContact O-CB 3.3Å; H68-L72 WeakPolarHBondContact O-CB 3.26Å; H68-L72 PolarHBondContact O-N 2.87Å; Y69-L72 PolarHBondContact O-N 3.34Å; N70-L72 PolarHBondContact O-N 3.46Å; L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 2.76Å; L72-A76 VanDerWaalsContact O-N 3.1Å |
| 73 | S | 68.4 | Low | 70.6 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71 | -35.5 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | Y69 N70 C71 A76 S77 | Y69-S73 VanDerWaalsContact O-CB 3.25Å; Y69-S73 WeakPolarHBondContact O-CB 3.3Å; Y69-S73 PolarHBondContact O-N 3.27Å; N70-S73 PolarHBondContact O-N 3.29Å; C71-S73 VanDerWaalsContact C-N 3.33Å; C71-S73 PolarHBondContact O-N 3.35Å; S73-A76 PolarHBondContact O-N 2.9Å; S73-S77 WeakPolarHBondContact O-CB 3.48Å; S73-S77 PolarHBondContact O-N 3.23Å; S73-S77 PolarHBondContact O-OG 2.87Å |
| 74 | D | 64 | Low | 69.1 | Low | 82 Ų | 82 | 109.7 Ų | 109.7 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -42.1 | 174.8 | -115.2 | 39.3 | 0 | 0 | 0 | 111.4 | N70 C71 S77 K78 | N70-D74 WeakPolarHBondContact O-CB 3.3Å; N70-D74 PolarHBondContact O-N 2.87Å; C71-D74 WeakPolarHBondContact O-CB 3.22Å; C71-D74 PolarHBondContact O-N 2.76Å; D74-S77 PolarHBondContact O-OG 3.24Å; D74-K78 WeakPolarHBondContact O-CB 3.35Å; D74-K78 WeakPolarHBondContact O-CD 3.41Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 3.44Å; D74-K78 IonicContact OD2-NZ 3.3Å; D74-K78 PolarHBondContact OD2-NZ 2.76Å |
| 75 | D | 60.5 | Low | 67.4 | Low | 106 Ų | 106 | 113.3 Ų | 113.3 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.3 | -39.4 | 175.8 | -70.3 | -25.9 | 0 | 0 | 0 | 111.9 | C71 A79 | C71-D75 PolarHBondContact O-N 3.48Å; C71-D75 VanDerWaalsContact O-N 3.12Å; D75-A79 WeakPolarHBondContact O-CB 3.21Å; D75-A79 PolarHBondContact O-N 2.86Å |
| 76 | A | 59.4 | Low | 65.8 | Low | 67 Ų | 67 | 114.4 Ų | 114.4 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.9 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 S73 G80 | L72-A76 WeakPolarHBondContact O-CB 3.42Å; L72-A76 PolarHBondContact O-N 2.76Å; L72-A76 VanDerWaalsContact O-N 3.1Å; S73-A76 PolarHBondContact O-N 2.9Å; A76-G80 PolarHBondContact O-N 2.89Å |
| 77 | S | 58.3 | Low | 63.7 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 44% | 0.441 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.4 | -39.3 | 177.9 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | S73 D74 G80 M81 | S73-S77 WeakPolarHBondContact O-CB 3.48Å; S73-S77 PolarHBondContact O-N 3.23Å; S73-S77 PolarHBondContact O-OG 2.87Å; D74-S77 PolarHBondContact O-OG 3.24Å; S77-G80 PolarHBondContact O-N 3.39Å; S77-G80 VanDerWaalsContact O-N 3.16Å; S77-M81 PolarHBondContact O-N 3.4Å |
| 78 | K | 57.5 | Low | 61.5 | Low | 115 Ų | 115 | 114 Ų | 114 | 50% | 0.5 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 173.2 | -73 | 165 | -166.1 | 155.6 | 0 | 112.1 | D74 G80 M81 | D74-K78 WeakPolarHBondContact O-CB 3.35Å; D74-K78 WeakPolarHBondContact O-CD 3.41Å; D74-K78 WeakPolarHBondContact O-CG 3.37Å; D74-K78 PolarHBondContact O-N 3.44Å; D74-K78 IonicContact OD2-NZ 3.3Å; D74-K78 PolarHBondContact OD2-NZ 2.76Å; K78-G80 PolarHBondContact O-N 3Å; K78-M81 PolarHBondContact O-N 3.43Å |
| 79 | A | 57.8 | Low | 59.4 | Low | 75 Ų | 75 | 113.1 Ų | 113.1 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.8 | -30.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D75 | D75-A79 WeakPolarHBondContact O-CB 3.21Å; D75-A79 PolarHBondContact O-N 2.86Å |
| 80 | G | 52.8 | Low | 57.3 | Low | 60 Ų | 60 | 115.5 Ų | 115.5 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.8 | -26 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A76 S77 K78 | A76-G80 PolarHBondContact O-N 2.89Å; S77-G80 PolarHBondContact O-N 3.39Å; S77-G80 VanDerWaalsContact O-N 3.16Å; K78-G80 PolarHBondContact O-N 3Å |
| 81 | M | 50.7 | Low | 55.2 | Low | 158 Ų | 158 | 117 Ų | 117 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -84 | -10.3 | -172.1 | -69.1 | -176.9 | 71.1 | 0 | 0 | 114.9 | S77 K78 K83 | S77-M81 PolarHBondContact O-N 3.4Å; K78-M81 PolarHBondContact O-N 3.43Å; M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.12Å |
| 82 | V | 52.1 | Low | 53.4 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -77 | -13 | -173.1 | -178 | 0 | 0 | 0 | 0 | 113.6 | | |
| 83 | K | 56.5 | Low | 51.8 | Low | 202 Ų | 202 | 122.7 Ų | 122.7 | 88% | 0.878 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -103.6 | 38.6 | -176.9 | -74.2 | -169.6 | 175.1 | -178.5 | 0 | 115.5 | M81 | M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.12Å |
| 84 | K | 56.8 | Low | 50.4 | Low | 206 Ų | 206 | 126 Ų | 126 | 90% | 0.896 | 72% | 0.722 | S | S | * | * | | | trans | -137.1 | 44.7 | 170.3 | -129.2 | 178.7 | -174.4 | -177 | 0 | 115.5 | | |
| 85 | K | 53.3 | Low | 49.1 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -129.5 | 98.1 | 163.5 | -166.1 | 172 | -173.1 | 177.1 | 0 | 109 | | |
| 86 | G | 53.2 | Low | 47.6 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | 150.9 | 27.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 87 | I | 43.9 | Very low | 46.4 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -129.7 | 95.6 | 152.8 | -56.3 | -179.4 | 0 | 0 | 0 | 106.8 | A89 | I87-A89 PolarHBondContact O-N 2.91Š|
| 88 | A | 41.9 | Very low | 45.2 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -65.2 | 115.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | K90 | A88-K90 PolarHBondContact O-N 3.31Š|
| 89 | A | 41.3 | Very low | 44.2 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -62.6 | 106.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I87 S91 | I87-A89 PolarHBondContact O-N 2.91Å; A89-S91 PolarHBondContact O-N 3.43Å |
| 90 | K | 39.8 | Very low | 43.4 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -59.8 | 109.9 | 167.6 | -71.3 | -177 | 176.9 | -178.4 | 0 | 106.4 | A88 S92 | A88-K90 PolarHBondContact O-N 3.31Å; K90-S92 VanDerWaalsContact C-N 3.34Å; K90-S92 PolarHBondContact O-N 3.17Å |
| 91 | S | 38.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | trans | -62.6 | 98.9 | 172 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | A89 K93 | A89-S91 PolarHBondContact O-N 3.43Å; S91-K93 PolarHBondContact O-N 2.86Å |
| 92 | S | 38 | Very low | 41.7 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | | | trans | -74.1 | 110.2 | 173.9 | 48.9 | 0 | 0 | 0 | 0 | 108.3 | K90 T94 | K90-S92 VanDerWaalsContact C-N 3.34Å; K90-S92 PolarHBondContact O-N 3.17Å; S92-T94 VanDerWaalsContact C-N 3.34Å; S92-T94 PolarHBondContact O-N 3.26Å |
| 93 | K | 44.3 | Very low | 40.7 | Very low | 213 Ų | 213 | 141 Ų | 141 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -59 | 88 | 174.4 | -173.4 | 179.7 | -175.2 | 178.6 | 0 | 110.6 | S91 | S91-K93 PolarHBondContact O-N 2.86Š|
| 94 | T | 37.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -92.2 | 126.3 | 169.2 | 46 | 0 | 0 | 0 | 0 | 109.7 | S92 | S92-T94 VanDerWaalsContact C-N 3.34Å; S92-T94 PolarHBondContact O-N 3.26Å |
| 95 | S | 37.2 | Very low | 38.2 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | trans | -56.6 | 138.2 | -176.7 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | N97 | S95-N97 PolarHBondContact O-N 2.99Š|
| 96 | C | 30.2 | Very low | 37.5 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | | | trans | -78 | 107.6 | 172.6 | -165.1 | 0 | 0 | 0 | 0 | 108.8 | E98 | C96-E98 PolarHBondContact O-N 3.45Š|
| 97 | N | 33.1 | Very low | 37.2 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -85.1 | 111.7 | 172.9 | -81.8 | 9 | 0 | 0 | 0 | 110.1 | S95 | S95-N97 PolarHBondContact O-N 2.99Š|
| 98 | E | 33.7 | Very low | 36.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | 45.4 | 89.3 | 135.7 | -159 | 177 | 176.1 | 0 | 0 | 117.7 | C96 | C96-E98 PolarHBondContact O-N 3.45Š|
| 99 | A | 35.9 | Very low | 36.2 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -105.2 | 119.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T101 | A99-T101 PolarHBondContact O-N 3.03Š|
| 100 | K | 40.7 | Very low | 36.1 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -64.8 | 124.5 | 178.1 | -72.7 | 174.1 | 174.3 | 174.4 | 0 | 111.6 | | |
| 101 | T | 34.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | | | trans | -139.7 | 134.6 | 153.4 | -53.4 | 0 | 0 | 0 | 0 | 108.4 | A99 | A99-T101 PolarHBondContact O-N 3.03Š|
| 102 | A | 34.1 | Very low | 35.9 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -95 | 166 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 103 | S | 31.1 | Very low | 35.7 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 73.7 | 136.2 | 173.6 | -153.6 | 0 | 0 | 0 | 0 | 114 | | |
| 104 | Q | 32.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | cis | -160.4 | 163.2 | 14.3 | -140.1 | 161.8 | 19.9 | 0 | 0 | 111.1 | | |
| 105 | C | 28.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 62.4 | 108.7 | 167.7 | -68.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 106 | S | 37.9 | Very low | 34.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | | 96.5 | 146.2 | 76.2 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 107 | P | 46.2 | Very low | 35 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | -114.7 | -151.2 | -146.9 | 44.6 | -34.7 | 0 | 0 | 0 | 115.5 | | |
| 108 | E | 30 | Very low | 35.1 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | 81.9 | 135 | -175.7 | -60 | -174.1 | 108 | 0 | 0 | 114.9 | | |
| 109 | T | 36.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | cis | -149.1 | 148.9 | 0.4 | 8.7 | 0 | 0 | 0 | 0 | 111 | | |
| 110 | Q | 38.4 | Very low | 36.2 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -116.3 | 155.7 | 151.3 | -91.1 | -154 | 26.4 | 0 | 0 | 106.1 | | |
| 111 | P | 40.7 | Very low | 35.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | -153.5 | 164.3 | 54.2 | 39.1 | -16.7 | 0 | 0 | 0 | 119.9 | | |
| 112 | M | 32.2 | Very low | 35.7 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | 37.3 | 150.6 | 137.4 | -56.4 | -160.8 | 83 | 0 | 0 | 124.7 | | |
| 113 | L | 33.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 130.7 | 101 | 143.4 | -68.2 | 176.2 | 0 | 0 | 0 | 110 | | |
| 114 | S | 31.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | | 76.8 | 112.3 | 69.2 | 76.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 115 | T | 32.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | | | trans | -142.2 | 132 | 149.1 | -38.9 | 0 | 0 | 0 | 0 | 109 | | |
| 116 | V | 37.6 | Very low | 36.6 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | trans | -132.2 | 134.6 | -179.3 | 163.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 117 | D | 32.9 | Very low | 36.2 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | | | trans | 164.3 | 122.9 | 139.6 | -92.3 | -24 | 0 | 0 | 0 | 109.5 | | |
| 118 | K | 37.2 | Very low | 35.7 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.726 | 75% | 0.754 | S | S | * | * | | | | 74.6 | 144.1 | 83.9 | -74.7 | -175.3 | -160 | 126.1 | 0 | 112.7 | | |
| 119 | L | 37.4 | Very low | 35.8 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | cis | -143.9 | 175.6 | 16.2 | -140 | 76.5 | 0 | 0 | 0 | 109.7 | | |
| 120 | P | 54.3 | Low | 35.8 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | -113.3 | -143.5 | -175.3 | 44.5 | -31.5 | 0 | 0 | 0 | 113.1 | | |
| 121 | D | 31.8 | Very low | 36.2 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | 76.1 | 142.2 | 172.5 | -66.7 | -30.3 | 0 | 0 | 0 | 116.7 | | |
| 122 | S | 34 | Very low | 35.6 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | cis | -150.3 | -177.1 | 1.6 | 50.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 123 | S | 32.7 | Very low | 35.7 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | cis | -160.3 | 151.3 | 20.7 | 54 | 0 | 0 | 0 | 0 | 112 | | |
| 124 | S | 32.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -99.7 | -159.9 | 166 | 63 | 0 | 0 | 0 | 0 | 109.9 | | |
| 125 | P | 49.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | cis | -122.1 | -167.8 | -20.4 | 25.2 | 0.9 | 0 | 0 | 0 | 110.6 | | |
| 126 | E | 28.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | -171.7 | 145.6 | 60.1 | -86.9 | -159.5 | 98.5 | 0 | 0 | 115.5 | | |
| 127 | R | 31.3 | Very low | 36.8 | Very low | 212 Ų | 212 | 134 Ų | 134 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | 37.9 | 109.1 | 133.6 | -59 | -171.5 | -176.6 | -145.2 | -1.2 | 119.6 | | |
| 128 | S | 35.3 | Very low | 37 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 76.3 | 115.8 | 71.6 | 77 | 0 | 0 | 0 | 0 | 116.9 | | |
| 129 | S | 31.4 | Very low | 37 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | | 166.8 | 132.1 | 127.8 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 130 | T | 37.5 | Very low | 37.6 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | -95.2 | 164.8 | 150.4 | 11.1 | 0 | 0 | 0 | 0 | 108 | | |
| 131 | P | 46.1 | Very low | 36.5 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | cis | -149.9 | -155 | 44.1 | 41.9 | -18.6 | 0 | 0 | 0 | 115.3 | | |
| 132 | S | 28.4 | Very low | 36.5 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 108.5 | 139.1 | 171.1 | -170.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 133 | S | 33.9 | Very low | 36.7 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | cis | -169.6 | -178.2 | -19.1 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 134 | T | 36.3 | Very low | 36.5 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | 103.3 | 91.7 | 162.1 | -47.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 135 | E | 40.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 148 Ų | 148 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | -79.7 | 139.5 | 154 | 176.4 | -174.3 | -178.1 | 0 | 0 | 110 | | |
| 136 | K | 39.3 | Very low | 36.4 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | -162.1 | 120.4 | 151.8 | -116.2 | 168 | -170.8 | 178.1 | 0 | 113.5 | | |
| 137 | L | 41.3 | Very low | 36.4 | Very low | 144 Ų | 144 | 147 Ų | 147 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | -67.7 | 155.3 | 162 | -70 | 121.5 | 0 | 0 | 0 | 111.3 | | |
| 138 | I | 37.7 | Very low | 36.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | | | trans | -168.4 | 155.8 | 132.1 | -95.4 | 149 | 0 | 0 | 0 | 109.5 | | |
| 139 | R | 37.2 | Very low | 37.3 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -109.1 | -155.6 | -165.6 | -156.9 | -161.5 | 162.8 | 177.1 | -4 | 111 | | |
| 140 | P | 50.8 | Low | 37.5 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | | | | -108.5 | 166.4 | -122.1 | 41.1 | -25.7 | 0 | 0 | 0 | 115.5 | | |
| 141 | S | 30.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | -165.6 | 119.1 | 154.5 | -174.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 142 | S | 32.3 | Very low | 36.9 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | | -170.1 | 126.5 | 120.1 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 143 | L | 37.6 | Very low | 37.4 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | | | trans | -142 | 115.4 | -179.2 | -178.9 | 124 | 0 | 0 | 0 | 109 | | |
| 144 | Q | 29.2 | Very low | 37.4 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -155.7 | 117.8 | 161.8 | -115.1 | 176.5 | 26.7 | 0 | 0 | 112.8 | | |
| 145 | K | 35.9 | Very low | 37.7 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | | | trans | -106.2 | 173.1 | 144.4 | -83.3 | -178.2 | 174.1 | 179.7 | 0 | 105.8 | | |
| 146 | P | 42.8 | Very low | 37.6 | Very low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | | | cis | -137.6 | 178.6 | 10.8 | 42.1 | -25.1 | 0 | 0 | 0 | 115.7 | | |
| 147 | S | 30 | Very low | 37.6 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -162.8 | 156.8 | 139.2 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 148 | I | 41.3 | Very low | 37.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 76% | 0.764 | 84% | 0.838 | S | S | * | * | | | trans | -122.5 | 151.3 | -176.5 | -59.5 | 162.4 | 0 | 0 | 0 | 107.6 | | |
| 149 | P | 43.1 | Very low | 37.5 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 84% | 0.844 | 83% | 0.833 | S | S | * | * | | | | -134.8 | 159.3 | 121.9 | 20.7 | -1.4 | 0 | 0 | 0 | 114.9 | | |
| 150 | N | 36.8 | Very low | 37.7 | Very low | 154 Ų | 154 | 145.5 Ų | 145.5 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | | | trans | -59 | 153.5 | -177.6 | -83.2 | -39.6 | 0 | 0 | 0 | 115.8 | | |
| 151 | S | 37 | Very low | 37.3 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | | | | 176.9 | 151.4 | 104.1 | 48.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 152 | A | 33.6 | Very low | 37.4 | Very low | 103 Ų | 103 | 151 Ų | 151 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | | | trans | 50.9 | 103 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 153 | G | 39.5 | Very low | 37.8 | Very low | 78 Ų | 78 | 157 Ų | 157 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | | | trans | -82.8 | 158.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 154 | K | 32.4 | Very low | 37.8 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 90% | 0.9 | 84% | 0.842 | S | S | * | * | | | trans | -133 | 96.6 | 159.5 | -80.1 | -172.9 | 176.8 | 176.5 | 0 | 110.7 | | |
| 155 | L | 42.8 | Very low | 38 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | -79.3 | 116.6 | 160.9 | -98 | 142.7 | 0 | 0 | 0 | 108.8 | | |
| 156 | T | 39.3 | Very low | 37.9 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | | | trans | -110.5 | 99.1 | 162.2 | 37.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 157 | R | 38.2 | Very low | 37.6 | Very low | 217 Ų | 217 | 152 Ų | 152 | 82% | 0.819 | 84% | 0.84 | S | S | * | * | | | trans | -66.6 | 146.9 | 177.1 | 174.6 | -174.5 | -174.1 | 172.1 | 4.6 | 112.1 | | |
| 158 | P | 44.5 | Very low | 37.7 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | -79.2 | 135.8 | 167.4 | 32.4 | -32.6 | 0 | 0 | 0 | 111 | | |
| 159 | S | 32.9 | Very low | 37.7 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | | | trans | -125.6 | 130.4 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 160 | K | 40.9 | Very low | 37.4 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | | | trans | -71.7 | 158.6 | 176.3 | -67.8 | -179.4 | 179.1 | -178.3 | 0 | 111.2 | | |
| 161 | P | 43.4 | Very low | 37.3 | Very low | 132 Ų | 132 | 156.7 Ų | 156.7 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | | | trans | -73.1 | 149.1 | -176.6 | 30.7 | -36.3 | 0 | 0 | 0 | 112.7 | | |
| 162 | K | 33.1 | Very low | 37.3 | Very low | 210 Ų | 210 | 161.6 Ų | 161.6 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | | | trans | -132.3 | 138 | 172.2 | -125 | -177.7 | -178.5 | -174.6 | 0 | 111.1 | | |
| 163 | R | 40.5 | Very low | 37.6 | Very low | 245 Ų | 245 | 163.2 Ų | 163.2 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | | | trans | -74.1 | 141.9 | 173.4 | -68.4 | 170.6 | 165.2 | 148.4 | -7.8 | 111.2 | | |
| 164 | S | 36.5 | Very low | 37.2 | Very low | 106 Ų | 106 | 165.1 Ų | 165.1 | 74% | 0.741 | 84% | 0.841 | S | S | * | * | | | trans | -177 | 107.8 | 153.8 | 50.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 165 | S | 34.5 | Very low | 37.3 | Very low | 113 Ų | 113 | 164.3 Ų | 164.3 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | | | | 81.5 | 105.9 | 69.2 | 72.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 166 | R | 32.2 | Very low | 37 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | | | trans | 85 | 130.5 | 137.9 | -147.6 | -179.6 | -174.4 | 167 | 2.7 | 120.7 | | |
| 167 | S | 36.9 | Very low | 36.8 | Very low | 108 Ų | 108 | 159.8 Ų | 159.8 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | 80.6 | 110.1 | 145.1 | 175.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 168 | S | 33.6 | Very low | 36.5 | Very low | 123 Ų | 123 | 157.1 Ų | 157.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | | -148.1 | 161.8 | 109.3 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 169 | R | 40.8 | Very low | 36.3 | Very low | 239 Ų | 239 | 157.4 Ų | 157.4 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | -136.2 | 144.6 | -161.6 | -177.6 | -168.8 | -166.5 | -161 | 7.8 | 111 | | |
| 170 | S | 36.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 158 Ų | 158 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 138.2 | 154.7 | 153.6 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 171 | K | 33 | Very low | 36.4 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | | | cis | -164.9 | 138.8 | -19.3 | -106.6 | 170.4 | -177.9 | 177.1 | 0 | 104.9 | | |
| 172 | K | 37.3 | Very low | 36 | Very low | 216 Ų | 216 | 154.3 Ų | 154.3 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | | | trans | -161.1 | 132.4 | 144.9 | -109.6 | 167.2 | -170.7 | -174.4 | 0 | 109.3 | | |
| 173 | L | 40.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -100.8 | 152.2 | 180 | -75.4 | 79.4 | 0 | 0 | 0 | 109.9 | | |
| 174 | C | 30.5 | Very low | 35.7 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | | -168.4 | 122.6 | 120 | -91.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 175 | K | 35.1 | Very low | 35.7 | Very low | 191 Ų | 191 | 153 Ų | 153 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | | 53 | 126.8 | 79.5 | -69.7 | -169.6 | 172.7 | -172 | 0 | 111.2 | | |
| 176 | S | 35.9 | Very low | 35.5 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | cis | -159.1 | 151.9 | 34.8 | 49.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 177 | S | 35.5 | Very low | 35.7 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -3.6 | 163.1 | 141.4 | 53.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 178 | H | 33.3 | Very low | 36.7 | Very low | 162 Ų | 162 | 146 Ų | 146 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | | | cis | 151.8 | 157 | -4.5 | 177.1 | -109.8 | 0 | 0 | 0 | 106.1 | | |
| 179 | L | 38.6 | Very low | 36.8 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | 73.6 | 155.8 | 180 | -64.2 | 124.7 | 0 | 0 | 0 | 117.7 | | |
| 180 | E | 34.4 | Very low | 36.9 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 59% | 0.589 | 79% | 0.789 | S | S | * | * | | | cis | -179.9 | 135.6 | -26.9 | 174.7 | 177.5 | -142.6 | 0 | 0 | 110.8 | | |
| 181 | K | 41.5 | Very low | 37.2 | Very low | 171 Ų | 171 | 149 Ų | 149 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 58.8 | 149.8 | 163.7 | -67.3 | 162.2 | -174.1 | 152.1 | 0 | 117.1 | | |
| 182 | A | 35.7 | Very low | 37.1 | Very low | 86 Ų | 86 | 151.2 Ų | 151.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | -170.6 | 140.6 | 45.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 183 | H | 32.1 | Very low | 37 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | 40 | 120.9 | 141.4 | -64.2 | -77.8 | 0 | 0 | 0 | 125.3 | | |
| 184 | R | 35.7 | Very low | 36.9 | Very low | 228 Ų | 228 | 150.1 Ų | 150.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | 43.1 | 133.2 | 132.9 | -65.4 | -170.1 | 169.3 | -162.8 | -0.8 | 120.9 | | |
| 185 | T | 35.4 | Very low | 37.2 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | | 161.6 | 145.6 | 96.1 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 186 | G | 30.8 | Very low | 37.1 | Very low | 76 Ų | 76 | 152 Ų | 152 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 121.4 | 117.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 187 | S | 37.6 | Very low | 37 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -87.8 | 169.6 | 171.1 | -133.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 188 | P | 56.6 | Low | 36.7 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -90.7 | 162.3 | -168.4 | 37.5 | -35.4 | 0 | 0 | 0 | 113.4 | | |
| 189 | E | 36.1 | Very low | 36.7 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -136.2 | 143.4 | 169.1 | -156.7 | 158 | -144.5 | 0 | 0 | 113.1 | | |
| 190 | K | 43.5 | Very low | 36.4 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -93 | 148.2 | -179.8 | -61.8 | 162.9 | -179.3 | 164.9 | 0 | 108.9 | | |
| 191 | S | 42 | Very low | 36.3 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -130.6 | 145.3 | 156.1 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 192 | R | 32.1 | Very low | 36 | Very low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -146.2 | 134.7 | -167 | -160.7 | -171.6 | -163.5 | -170.8 | 5.4 | 107.5 | | |
| 193 | K | 35 | Very low | 35.9 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | 59 | 136.1 | 170.2 | -79.8 | 179.8 | 149.3 | -106 | 0 | 118.1 | D195 | K193-D195 IonicContact NZ-OD1 2.76Å; K193-D195 PolarHBondContact NZ-OD1 3.27Å; K193-D195 IonicContact NZ-OD2 2.76Å; K193-D195 PolarHBondContact NZ-OD2 2.99Å |
| 194 | L | 36.9 | Very low | 36 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | | -141.8 | 146.7 | 125.2 | -108.3 | 171.3 | 0 | 0 | 0 | 108.8 | | |
| 195 | D | 36.6 | Very low | 36.1 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 57% | 0.572 | 81% | 0.809 | S | S | * | * | | | trans | -98.4 | 152.3 | -173.1 | -55.3 | -76.7 | 0 | 0 | 0 | 110.9 | K193 | K193-D195 IonicContact NZ-OD1 2.76Å; K193-D195 PolarHBondContact NZ-OD1 3.27Å; K193-D195 IonicContact NZ-OD2 2.76Å; K193-D195 PolarHBondContact NZ-OD2 2.99Å |
| 196 | Y | 33.7 | Very low | 36.9 | Very low | 242 Ų | 242 | 144.4 Ų | 144.4 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | | | trans | -154.4 | 147.3 | 142 | -134 | -90.3 | 0 | 0 | 0 | 111.2 | | |
| 197 | A | 34 | Very low | 37.1 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 60% | 0.603 | 81% | 0.808 | S | S | * | * | | | trans | -129.7 | 150.6 | -162.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 198 | C | 29.6 | Very low | 37 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | 42.4 | 122.4 | 141.8 | -59.6 | 0 | 0 | 0 | 0 | 122.3 | | |
| 199 | N | 33.2 | Very low | 37 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -153.1 | 144.5 | 139.6 | -79.9 | -54.1 | 0 | 0 | 0 | 105.5 | | |
| 200 | L | 32.6 | Very low | 37.4 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | cis | -152.9 | 164.1 | 2.4 | -112.6 | 157.4 | 0 | 0 | 0 | 108.6 | | |
| 201 | A | 31.3 | Very low | 36.9 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | -92.8 | 141.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 202 | S | 36.2 | Very low | 36.5 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | | 27 | 130.2 | 123.8 | -164.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 203 | S | 32.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | -155.9 | 171.3 | 143 | -161.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 204 | D | 34.3 | Very low | 36.6 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | trans | -104.2 | -178.6 | -143.9 | -104.1 | -64.3 | 0 | 0 | 0 | 119.1 | | |
| 205 | K | 39.4 | Very low | 37.3 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | -72.1 | -164.2 | -176.4 | -53.1 | 155.9 | -175.4 | 151.5 | 0 | 112.6 | | |
| 206 | P | 51.5 | Low | 37.2 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | cis | -145.1 | -155.2 | 2.6 | 41.5 | -17.5 | 0 | 0 | 0 | 116.6 | | |
| 207 | V | 34.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | 121.8 | 148.7 | 160.1 | -176.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 208 | R | 35.5 | Very low | 37 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -133.6 | -171.2 | -156.4 | -144.2 | -161.5 | 166.1 | 160.2 | -2.4 | 112.4 | | |
| 209 | P | 56.3 | Low | 37.1 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | | | | -107.8 | -177.9 | -126.2 | 42.7 | -24.3 | 0 | 0 | 0 | 115.6 | | |
| 210 | P | 45.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | | -157.8 | 144.9 | 103 | 37.9 | -17.9 | 0 | 0 | 0 | 120 | | |
| 211 | R | 32.9 | Very low | 38 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | 65.1 | 133.2 | 132.3 | -68.3 | -179.3 | 179 | -176 | 0.9 | 125.5 | | |
| 212 | L | 32.2 | Very low | 38.2 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | trans | 55 | 125.8 | 136.5 | -85.1 | 80 | 0 | 0 | 0 | 122.7 | | |
| 213 | S | 31.6 | Very low | 38.1 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | | -154.6 | 141.2 | 117.1 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 214 | K | 39 | Very low | 38.2 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -173.6 | 164.8 | 175.4 | -97.7 | -169.3 | -176.7 | -175 | 0 | 105.3 | | |
| 215 | P | 50.1 | Low | 38 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | cis | -130.5 | -170.5 | -16.8 | 38.6 | -21.2 | 0 | 0 | 0 | 112.4 | | |
| 216 | L | 34.3 | Very low | 37.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -139.6 | 141.8 | 144 | -156.6 | 69.5 | 0 | 0 | 0 | 111.5 | | |
| 217 | C | 32.1 | Very low | 37.8 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | -44.2 | 172.9 | 173 | -65.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 218 | S | 33.3 | Very low | 37.5 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | cis | 178.3 | 141.4 | -15.6 | 167.5 | 0 | 0 | 0 | 0 | 107.5 | | |
| 219 | S | 31.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | 177.8 | 150.1 | 122.9 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 220 | H | 32.5 | Very low | 36.9 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | | | trans | -120.6 | -171.9 | -174.8 | -170 | 50.4 | 0 | 0 | 0 | 108.6 | | |
| 221 | P | 52 | Low | 36.4 | Very low | 77 Ų | 77 | 144.7 Ų | 144.7 | 50% | 0.5 | 79% | 0.785 | S | S | . | * | | | | -110.7 | -172.7 | -94.4 | 42.4 | -28.4 | 0 | 0 | 0 | 113.9 | | |
| 222 | Q | 34.9 | Very low | 36.6 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -136.2 | 148.2 | 135.3 | -86.7 | -159 | -10 | 0 | 0 | 112.1 | | |
| 223 | N | 33.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -81.4 | -179.1 | 173.2 | -46.6 | -36 | 0 | 0 | 0 | 108.5 | | |
| 224 | E | 34.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | cis | -164.8 | -174.2 | 14.8 | -153.2 | 159.1 | -132.1 | 0 | 0 | 109.8 | | |
| 225 | M | 30.5 | Very low | 37.1 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | | | trans | 80.1 | 95.1 | 164.8 | -62.1 | 176.2 | -174.9 | 0 | 0 | 119.2 | | |
| 226 | S | 37.4 | Very low | 36.6 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | -89.2 | -175 | 135.8 | 67.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 227 | P | 48.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | -129.8 | 164.7 | -20.1 | 36 | -20.8 | 0 | 0 | 0 | 113.3 | | |
| 228 | S | 28.7 | Very low | 37.6 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -173.3 | 115.4 | 141.9 | 17.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 229 | E | 37.6 | Very low | 38.3 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | -179.8 | 146.7 | -81 | -166.7 | 149.1 | 0 | 0 | 109.9 | | |
| 230 | P | 41.2 | Very low | 39.3 | Very low | 95 Ų | 95 | 146.1 Ų | 146.1 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | | | cis | -140 | -167 | 8.1 | 17.1 | 12.6 | 0 | 0 | 0 | 115.8 | | |
| 231 | F | 36.1 | Very low | 39.8 | Very low | 179 Ų | 179 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 87.2 | 93.2 | 155 | -68.2 | -66.9 | 0 | 0 | 0 | 120.1 | | |
| 232 | S | 38.3 | Very low | 39.4 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 126.1 | 149.5 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 233 | L | 36.3 | Very low | 39.8 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -142.5 | 92.8 | 176.6 | -136.5 | 163.2 | 0 | 0 | 0 | 111.7 | | |
| 234 | K | 37.9 | Very low | 40.3 | Very low | 207 Ų | 207 | 152.6 Ų | 152.6 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | | | trans | -139.3 | 134.3 | 159.4 | -63.4 | -178.6 | 179.9 | 179.4 | 0 | 103.9 | | |
| 235 | E | 36.9 | Very low | 41.1 | Very low | 179 Ų | 179 | 151 Ų | 151 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | cis | -155.2 | 147.8 | 31.2 | -175.3 | 178.1 | 141 | 0 | 0 | 109.8 | | |
| 236 | L | 40.6 | Very low | 42 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | -94.2 | 111.9 | -174.4 | -140.7 | 82.6 | 0 | 0 | 0 | 111.4 | | |
| 237 | A | 40.7 | Very low | 42.1 | Very low | 86 Ų | 86 | 158.7 Ų | 158.7 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -123.9 | 93.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 238 | K | 46 | Very low | 41.7 | Very low | 201 Ų | 201 | 159 Ų | 159 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | 58.6 | 114.8 | 152.5 | -61.6 | 173.2 | -176.4 | 168.9 | 0 | 119.5 | | |
| 239 | P | 49.2 | Very low | 42.2 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 152.6 | 159.6 | 33 | -33.8 | 0 | 0 | 0 | 111.9 | | |
| 240 | P | 50.7 | Low | 42.3 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150 | 174 | 29.5 | -33.5 | 0 | 0 | 0 | 112.6 | | |
| 241 | K | 44 | Very low | 42.4 | Very low | 198 Ų | 198 | 163.7 Ų | 163.7 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 152 | -171.3 | -71.9 | 174.2 | 173.2 | 176.3 | 0 | 114.4 | | |
| 242 | H | 43.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 159 Ų | 159 | 82% | 0.819 | 84% | 0.836 | S | S | * | * | | | trans | -34.5 | 130.5 | 172.1 | -72.1 | -91.6 | 0 | 0 | 0 | 116 | | |
| 243 | F | 42.6 | Very low | 42.5 | Very low | 202 Ų | 202 | 165.3 Ų | 165.3 | 89% | 0.886 | 84% | 0.841 | S | S | * | * | | | trans | -85.8 | 127.9 | 154.5 | -85.1 | -91 | 0 | 0 | 0 | 110.1 | P245 | F243-P245 WeakPolarHBondContact O-CD 3.25Š|
| 244 | N | 45.8 | Very low | 42.6 | Very low | 140 Ų | 140 | 162.9 Ų | 162.9 | 75% | 0.749 | 84% | 0.842 | S | S | * | * | | | trans | -95.2 | 111.9 | 172.5 | -75.4 | -51.2 | 0 | 0 | 0 | 110.5 | K246 | N244-K246 PolarHBondContact O-N 3.44Š|
| 245 | P | 50 | Low | 42.5 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | | | trans | -77.9 | 100.9 | 170.3 | 30.5 | -31.9 | 0 | 0 | 0 | 110.1 | F243 R247 | F243-P245 WeakPolarHBondContact O-CD 3.25Å; P245-R247 PolarHBondContact O-N 2.92Å |
| 246 | K | 50.5 | Low | 42.9 | Very low | 207 Ų | 207 | 156.9 Ų | 156.9 | 90% | 0.9 | 84% | 0.838 | S | S | * | * | | | trans | -70.4 | 99.2 | 169.8 | -81 | -169.2 | 176.6 | -177.5 | 0 | 110.3 | N244 | N244-K246 PolarHBondContact O-N 3.44Š|
| 247 | R | 38.4 | Very low | 42.6 | Very low | 234 Ų | 234 | 156 Ų | 156 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | | | trans | -65.2 | 123.6 | 165.7 | -175.1 | -174.6 | -162.8 | 168.6 | 4.9 | 109.8 | P245 | P245-R247 PolarHBondContact O-N 2.92Š|
| 248 | S | 40.6 | Very low | 42.3 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -143.4 | 135.7 | 152 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 249 | V | 40.2 | Very low | 41.8 | Very low | 128 Ų | 128 | 154 Ų | 154 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | trans | -106.7 | 132.4 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 250 | S | 39.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | trans | -134.8 | 108.6 | 161.2 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | G252 | S250-G252 PolarHBondContact O-N 3.1Š|
| 251 | R | 42.9 | Very low | 40.5 | Very low | 250 Ų | 250 | 157.5 Ų | 157.5 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | | | trans | -78.6 | 93.4 | 176.1 | -176.6 | -175.3 | -169.2 | -179.1 | 3.8 | 108.6 | | |
| 252 | G | 32.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 154.6 Ų | 154.6 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | -100.9 | 118.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S250 | S250-G252 PolarHBondContact O-N 3.1Š|
| 253 | R | 44.1 | Very low | 40.1 | Very low | 256 Ų | 256 | 150.3 Ų | 150.3 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | | | trans | -104.9 | 111.3 | -177.9 | -161.6 | -172 | -167.1 | -148.9 | 6.2 | 109.8 | | |
| 254 | A | 38.6 | Very low | 39.7 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -155 | 103.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 255 | A | 35.6 | Very low | 39.5 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | | | | 94.4 | 115.3 | 84.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 256 | L | 44.7 | Very low | 38.9 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | | | trans | -62.9 | 141.6 | 175.8 | -69.1 | 86.2 | 0 | 0 | 0 | 110 | | |
| 257 | L | 34.4 | Very low | 38.3 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 80% | 0.796 | 83% | 0.832 | S | S | * | * | | | trans | -158.4 | 79.2 | 148.7 | -108.6 | 164.5 | 0 | 0 | 0 | 109.8 | | |
| 258 | S | 34.5 | Very low | 38.2 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | -74.1 | 118.6 | 170.1 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 259 | N | 34.9 | Very low | 38 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | | | trans | -137.5 | 67.5 | 171.4 | -84.4 | -48.6 | 0 | 0 | 0 | 111 | | |
| 260 | S | 35.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | | | trans | -89.5 | 115 | 162.1 | 58.7 | 0 | 0 | 0 | 0 | 109 | | |
| 261 | K | 37.7 | Very low | 38.1 | Very low | 211 Ų | 211 | 156 Ų | 156 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | | | trans | -62.2 | 145 | 175.7 | -75.7 | -178.3 | 175.4 | -179.9 | 0 | 111.1 | | |
| 262 | V | 42 | Very low | 38.1 | Very low | 137 Ų | 137 | 153.8 Ų | 153.8 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | | | trans | -83 | 152.7 | -176.8 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 263 | A | 35.9 | Very low | 38.3 | Very low | 86 Ų | 86 | 159 Ų | 159 | 71% | 0.711 | 84% | 0.839 | S | S | * | * | | | trans | 73.9 | 116.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 264 | E | 36.2 | Very low | 38.3 | Very low | 198 Ų | 198 | 155 Ų | 155 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | | | | -144.1 | 133 | 97.1 | -111.4 | 177.8 | -178 | 0 | 0 | 111.1 | | |
| 265 | T | 40.3 | Very low | 38.2 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | | | trans | -85.3 | 110.2 | 179.2 | 30.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 266 | C | 37.1 | Very low | 38.1 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.9 | 168.3 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | S268 | C266-S268 PolarHBondContact O-N 2.98Š|
| 267 | Q | 37.8 | Very low | 37.5 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 116.7 | 177.6 | -71.6 | -176.9 | -3.3 | 0 | 0 | 111 | Y269 | Q267-Y269 PolarHBondContact O-N 3.08Š|
| 268 | S | 36.8 | Very low | 37.4 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 116.7 | 171.2 | -67 | 0 | 0 | 0 | 0 | 110.7 | C266 K270 | C266-S268 PolarHBondContact O-N 2.98Å; S268-K270 PolarHBondContact O-N 2.87Å |
| 269 | Y | 36.4 | Very low | 37.6 | Very low | 227 Ų | 227 | 163.2 Ų | 163.2 | 89% | 0.89 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.8 | 174.5 | -106.7 | -104.6 | 0 | 0 | 0 | 111.5 | Q267 K271 | Q267-Y269 PolarHBondContact O-N 3.08Å; Y269-K271 PolarHBondContact O-N 3.05Å |
| 270 | K | 42.3 | Very low | 37.5 | Very low | 208 Ų | 208 | 164.8 Ų | 164.8 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | | | trans | -64.2 | 103.9 | 178.4 | -72.8 | -179 | 177.3 | 177.1 | 0 | 111.4 | S268 | S268-K270 PolarHBondContact O-N 2.87Š|
| 271 | K | 40.4 | Very low | 37.6 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 122.9 | 164.4 | -156.9 | 169.3 | -173.3 | 175.5 | 0 | 108.9 | Y269 H273 | Y269-K271 PolarHBondContact O-N 3.05Å; K271-H273 PolarHBondContact O-N 2.88Å |
| 272 | K | 41.9 | Very low | 37.4 | Very low | 205 Ų | 205 | 161.8 Ų | 161.8 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 122.3 | -178.6 | -62.2 | 177.6 | -178.4 | 178 | 0 | 109.6 | | |
| 273 | H | 37 | Very low | 37.2 | Very low | 189 Ų | 189 | 161.1 Ų | 161.1 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 121.4 | 169 | -80.3 | -97 | 0 | 0 | 0 | 109.5 | K271 | K271-H273 PolarHBondContact O-N 2.88Š|
| 274 | L | 43.7 | Very low | 37.2 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 133.1 | 160.1 | -98.8 | 156.3 | 0 | 0 | 0 | 108.5 | S276 | L274-S276 PolarHBondContact O-N 3.4Š|
| 275 | V | 37.3 | Very low | 37 | Very low | 133 Ų | 133 | 160.8 Ų | 160.8 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -67.4 | 113.1 | -174.4 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | K277 | V275-K277 PolarHBondContact O-N 3.36Š|
| 276 | S | 32.9 | Very low | 37 | Very low | 108 Ų | 108 | 162.4 Ų | 162.4 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 119.3 | 163.9 | 41.5 | 0 | 0 | 0 | 0 | 109.4 | L274 T278 | L274-S276 PolarHBondContact O-N 3.4Å; S276-T278 PolarHBondContact O-N 3.24Å |
| 277 | K | 32.6 | Very low | 37.1 | Very low | 202 Ų | 202 | 162 Ų | 162 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.5 | 174.2 | -74.3 | -178.4 | 176.4 | 178.8 | 0 | 110 | V275 Y279 | V275-K277 PolarHBondContact O-N 3.36Å; K277-Y279 PolarHBondContact O-N 3.46Å |
| 278 | T | 32.7 | Very low | 37.1 | Very low | 132 Ų | 132 | 162.7 Ų | 162.7 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.3 | 172.9 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | S276 | S276-T278 PolarHBondContact O-N 3.24Š|
| 279 | Y | 37.2 | Very low | 37 | Very low | 208 Ų | 208 | 161.8 Ų | 161.8 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 117.6 | 163.5 | -170.4 | -96.9 | 0 | 0 | 0 | 108.9 | K277 | K277-Y279 PolarHBondContact O-N 3.46Š|
| 280 | K | 33.7 | Very low | 36.8 | Very low | 176 Ų | 176 | 160.3 Ų | 160.3 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124 | 169.1 | -74.2 | -178.7 | 175 | -178.4 | 0 | 108.4 | L282 | K280-L282 PolarHBondContact O-N 3.31Š|
| 281 | P | 36.9 | Very low | 36.6 | Very low | 109 Ų | 109 | 158.3 Ų | 158.3 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | | | trans | -74.4 | 109.8 | 160.7 | 30.5 | -28.6 | 0 | 0 | 0 | 107.7 | V283 | P281-V283 PolarHBondContact O-N 3.29Š|
| 282 | L | 33.5 | Very low | 36.4 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -77.7 | 115.1 | 165.7 | -168.7 | 72.4 | 0 | 0 | 0 | 107.3 | K280 N284 | K280-L282 PolarHBondContact O-N 3.31Å; L282-N284 PolarHBondContact O-N 3.16Å |
| 283 | V | 39.7 | Very low | 36.3 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | | | trans | -65.2 | 122.9 | 167.5 | 177 | 0 | 0 | 0 | 0 | 107.3 | P281 | P281-V283 PolarHBondContact O-N 3.29Š|
| 284 | N | 34.1 | Very low | 36.1 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | trans | -127.8 | 145.6 | 163.3 | -98.9 | 28.7 | 0 | 0 | 0 | 108.4 | L282 | L282-N284 PolarHBondContact O-N 3.16Š|
| 285 | D | 32.7 | Very low | 35.7 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -73 | 150.2 | -154 | -59.8 | -75.6 | 0 | 0 | 0 | 115.9 | S287 | D285-S287 PolarHBondContact O-N 3.17Š|
| 286 | I | 41.2 | Very low | 35.5 | Very low | 176 Ų | 176 | 154 Ų | 154 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | | | trans | -76.1 | 114.6 | 162.4 | -59.1 | 169.2 | 0 | 0 | 0 | 106.8 | | |
| 287 | S | 38.8 | Very low | 35.3 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -126.5 | 146.9 | 163.2 | 65.7 | 0 | 0 | 0 | 0 | 111 | D285 | D285-S287 PolarHBondContact O-N 3.17Š|
| 288 | E | 38 | Very low | 35.5 | Very low | 194 Ų | 194 | 158 Ų | 158 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | -94.3 | 130.3 | -158.1 | -177.3 | 177.6 | -154.8 | 0 | 0 | 111.6 | | |
| 289 | A | 33.3 | Very low | 35.4 | Very low | 99 Ų | 99 | 158.3 Ų | 158.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -146.4 | 74.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 290 | K | 33.6 | Very low | 35.5 | Very low | 195 Ų | 195 | 153 Ų | 153 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | 29.3 | 102.5 | 139.9 | -156.2 | 170.6 | -170.2 | 171.4 | 0 | 119 | | |
| 291 | E | 38.4 | Very low | 35.7 | Very low | 166 Ų | 166 | 149.8 Ų | 149.8 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | 10.3 | 123.7 | 138.5 | -177.7 | -171.7 | -163.4 | 0 | 0 | 118.8 | | |
| 292 | K | 36 | Very low | 35.7 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | | | | -148.8 | 140.4 | 127.1 | -70.2 | -156.2 | -179.9 | 178.8 | 0 | 112.3 | | |
| 293 | N | 39.3 | Very low | 35.8 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | -90.6 | 127.5 | 177.7 | 164.8 | 23.7 | 0 | 0 | 0 | 111.4 | | |
| 294 | T | 32.3 | Very low | 35.6 | Very low | 131 Ų | 131 | 156 Ų | 156 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -150.8 | 154.7 | 154.5 | -28.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 295 | Q | 35.3 | Very low | 35.6 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | -76.8 | 161.1 | -168.4 | -63.9 | 156.5 | -39.4 | 0 | 0 | 115.7 | | |
| 296 | N | 34 | Very low | 35.6 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | | | trans | 4.3 | 128.4 | 153.3 | -63.2 | -46.8 | 0 | 0 | 0 | 118.9 | | |
| 297 | L | 28.3 | Very low | 35.4 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | -141.9 | 142.1 | 140.9 | -111 | 170.4 | 0 | 0 | 0 | 111.2 | | |
| 298 | Y | 36.7 | Very low | 34.8 | Very low | 215 Ų | 215 | 156.2 Ų | 156.2 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | | | trans | -107.1 | 115.8 | -166.6 | -172.6 | -85.8 | 0 | 0 | 0 | 109.5 | | |
| 299 | V | 30.6 | Very low | 34.5 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | | | trans | -136.6 | 120 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 300 | S | 39.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 155.6 Ų | 155.6 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | | | trans | -81.5 | 134.5 | 171 | 164.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 301 | S | 38.1 | Very low | 34.3 | Very low | 110 Ų | 110 | 157.5 Ų | 157.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -127.4 | 131.9 | 161.5 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 302 | K | 37 | Very low | 34 | Very low | 187 Ų | 187 | 158 Ų | 158 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -111.6 | 101.5 | -162.8 | -178.2 | -173.9 | -171.7 | 177.9 | 0 | 108.7 | | |
| 303 | V | 35.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -118.7 | 109.9 | 175.4 | -175 | 0 | 0 | 0 | 0 | 109.7 | | |
| 304 | K | 34.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | | | trans | -79.5 | 131.4 | 167.4 | -72.1 | -179.5 | 173.3 | -176.5 | 0 | 108.7 | | |
| 305 | S | 34.5 | Very low | 33.6 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -111.7 | 108.1 | 164.4 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 306 | S | 31.9 | Very low | 33.5 | Very low | 106 Ų | 106 | 159 Ų | 159 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -106.3 | 136.6 | 169.9 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 307 | P | 36.8 | Very low | 33.3 | Very low | 133 Ų | 133 | 160.1 Ų | 160.1 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -72.9 | 146.9 | 179.6 | 30.7 | -34.2 | 0 | 0 | 0 | 111.6 | | |
| 308 | R | 27.5 | Very low | 33.7 | Very low | 212 Ų | 212 | 158.9 Ų | 158.9 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -98.2 | 111.7 | -175.6 | -172.8 | -178.3 | -167.5 | 179.9 | 4.2 | 109.6 | F310 | R308-F310 HydrophobicContact CG-CD2 4.25Å; R308-F310 HydrophobicContact CG-CE2 4.05Å |
| 309 | S | 31.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 153.7 Ų | 153.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -92.5 | 134.8 | 166.5 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 310 | F | 33.1 | Very low | 33.8 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | trans | -110.3 | 132.9 | 167.3 | -85.8 | -78.4 | 0 | 0 | 0 | 108.9 | R308 | R308-F310 HydrophobicContact CG-CD2 4.25Å; R308-F310 HydrophobicContact CG-CE2 4.05Å |
| 311 | R | 30 | Very low | 33.6 | Very low | 235 Ų | 235 | 159.9 Ų | 159.9 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | -138.1 | 116.4 | 166.8 | -157.1 | -177.8 | -159.7 | -133.5 | 6.2 | 105.6 | | |
| 312 | E | 30.8 | Very low | 33.5 | Very low | 176 Ų | 176 | 160.4 Ų | 160.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -127.2 | 130.4 | 177.9 | -162.2 | 160.3 | -134.3 | 0 | 0 | 107.3 | | |
| 313 | L | 32.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | | | trans | -138.7 | 108.9 | -165.5 | -174.2 | 156.2 | 0 | 0 | 0 | 107.3 | | |
| 314 | H | 30.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 158.4 Ų | 158.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -132.7 | 114.6 | 171.4 | -85.2 | -64.1 | 0 | 0 | 0 | 110.1 | | |
| 315 | S | 36.3 | Very low | 33.6 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -84.9 | 150.6 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 316 | R | 33.6 | Very low | 33.8 | Very low | 256 Ų | 256 | 157.7 Ų | 157.7 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | | | trans | -142.9 | 147.6 | 154.7 | -148.5 | 172.3 | -165.6 | -178.2 | 4.2 | 109.8 | | |
| 317 | K | 29.6 | Very low | 34.4 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -117.5 | 173.1 | -162.4 | -160.4 | 179.8 | -177.2 | -177.8 | 0 | 110.2 | | |
| 318 | N | 35.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 90.8 | 143.2 | 172.3 | -42.1 | -15 | 0 | 0 | 0 | 112.8 | | |
| 319 | A | 36.2 | Very low | 35 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | cis | -137.9 | -171.9 | 16.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 320 | Y | 33.8 | Very low | 35.3 | Very low | 201 Ų | 201 | 161.2 Ų | 161.2 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | | | trans | -88.6 | 143.9 | -167.2 | -156.3 | -96.4 | 0 | 0 | 0 | 112.2 | | |
| 321 | D | 35.6 | Very low | 35.2 | Very low | 164 Ų | 164 | 156.3 Ų | 156.3 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | | -168.6 | 159.3 | 129.9 | -110.9 | -20.6 | 0 | 0 | 0 | 112.7 | | |
| 322 | D | 35.3 | Very low | 35.4 | Very low | 120 Ų | 120 | 154.3 Ų | 154.3 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | | | trans | -129.4 | 123.3 | -163.2 | 173.4 | 26.3 | 0 | 0 | 0 | 111.5 | | |
| 323 | H | 37.6 | Very low | 35.6 | Very low | 169 Ų | 169 | 155.2 Ų | 155.2 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -170.5 | 124.8 | 140.1 | -133.1 | -90.7 | 0 | 0 | 0 | 115.1 | | |
| 324 | V | 37.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | | | trans | 7.5 | 122.4 | 146.7 | -171.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 325 | N | 35.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 155 Ų | 155 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | | -155.3 | 141.1 | 119.8 | -161.1 | 27.5 | 0 | 0 | 0 | 111.9 | | |
| 326 | D | 37.4 | Very low | 36.8 | Very low | 145 Ų | 145 | 157.4 Ų | 157.4 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | | | trans | -110.2 | 127.7 | -179.2 | -179.6 | 18.9 | 0 | 0 | 0 | 109.9 | | |
| 327 | S | 44.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -170.6 | 120.2 | 159.3 | 40.2 | 0 | 0 | 0 | 0 | 112 | M329 | S327-M329 PolarHBondContact O-N 3.41Š|
| 328 | D | 39.1 | Very low | 38.1 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -56.5 | 123.7 | 167.7 | -106.6 | -37.1 | 0 | 0 | 0 | 111.4 | | |
| 329 | M | 39.2 | Very low | 39.1 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -146.9 | 119.1 | 153.2 | -169.5 | 160.5 | 173.3 | 0 | 0 | 112.7 | S327 | S327-M329 PolarHBondContact O-N 3.41Š|
| 330 | M | 36.4 | Very low | 39.6 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | | | trans | -57.3 | 136.3 | 178.7 | -161.8 | 83.9 | -171.6 | 0 | 0 | 113.7 | | |
| 331 | G | 32.5 | Very low | 40.5 | Very low | 59 Ų | 59 | 148 Ų | 148 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | 141.9 | 98.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 332 | Y | 33.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 147.6 Ų | 147.6 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | trans | 80 | 117.8 | 137.7 | -76.7 | -68.3 | 0 | 0 | 0 | 123.2 | | |
| 333 | Y | 34.1 | Very low | 41.8 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | trans | 62.2 | 115.7 | 155.3 | -50.1 | -61.4 | 0 | 0 | 0 | 117 | | |
| 334 | S | 34.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | | -163 | 154.1 | 53.1 | -71.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 335 | E | 48.7 | Very low | 42.9 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | 46.1 | 90.7 | 149.3 | -63.5 | -178.1 | 176.8 | 0 | 0 | 117.7 | | |
| 336 | D | 41.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -125.4 | 154.7 | 161.2 | -146.9 | -4.8 | 0 | 0 | 0 | 112 | | |
| 337 | D | 46.2 | Very low | 43.2 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -28.2 | 141 | -177.9 | -166 | 18.3 | 0 | 0 | 0 | 118.9 | | |
| 338 | S | 45.9 | Very low | 43.2 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 47% | 0.469 | 77% | 0.774 | S | S | . | * | | | trans | 169.7 | 122.9 | 143 | 180 | 0 | 0 | 0 | 0 | 110 | K340 | S338-K340 PolarHBondContact O-N 3.28Å; S338-K340 VanDerWaalsContact O-N 3.11Å; S338-K340 VanDerWaalsContact OG-CE 3.3Å; S338-K340 WeakPolarHBondContact OG-CE 3.36Å; S338-K340 WeakPolarHBondContact OG-CG 3.45Å |
| 339 | D | 56.2 | Low | 43.2 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -51.8 | 117.9 | 155.1 | -83.9 | -42.1 | 0 | 0 | 0 | 108.7 | | |
| 340 | K | 47.7 | Very low | 43.3 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -137.9 | 115.6 | 174.9 | -73.5 | 179 | 178.5 | 153.3 | 0 | 109.1 | S338 I342 | S338-K340 PolarHBondContact O-N 3.28Å; S338-K340 VanDerWaalsContact O-N 3.11Å; S338-K340 VanDerWaalsContact OG-CE 3.3Å; S338-K340 WeakPolarHBondContact OG-CE 3.36Å; S338-K340 WeakPolarHBondContact OG-CG 3.45Å; K340-I342 PolarHBondContact O-N 3.31Å |
| 341 | D | 50.7 | Low | 43.6 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -54.5 | 119.2 | 173.3 | -66.2 | -58 | 0 | 0 | 0 | 110.4 | I343 | D341-I343 VanDerWaalsContact C-N 3.26Å; D341-I343 HydrophobicContact CB-CG1 4.4Å; D341-I343 PolarHBondContact O-N 3.11Å |
| 342 | I | 45.9 | Very low | 43.9 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | | | trans | -77.3 | 82.5 | 175.6 | -53.5 | 179.5 | 0 | 0 | 0 | 108.5 | K340 I344 | K340-I342 PolarHBondContact O-N 3.31Å; I342-I344 HydrophobicContact CG2-CG1 3.88Å; I342-I344 PolarHBondContact O-N 3.27Å; I342-I344 VanDerWaalsContact O-N 3.08Å |
| 343 | I | 52.4 | Low | 44.1 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -71.7 | 99.1 | 169.8 | -59 | 177.7 | 0 | 0 | 0 | 108.1 | D341 T345 | D341-I343 VanDerWaalsContact C-N 3.26Å; D341-I343 HydrophobicContact CB-CG1 4.4Å; D341-I343 PolarHBondContact O-N 3.11Å; I343-T345 PolarHBondContact O-N 3.35Å |
| 344 | I | 55.5 | Low | 44.1 | Very low | 138 Ų | 138 | 141 Ų | 141 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -78.8 | 87.8 | 175 | -54.6 | 179.5 | 0 | 0 | 0 | 109.1 | I342 C346 | I342-I344 HydrophobicContact CG2-CG1 3.88Å; I342-I344 PolarHBondContact O-N 3.27Å; I342-I344 VanDerWaalsContact O-N 3.08Å; I344-C346 PolarHBondContact O-N 3.5Å |
| 345 | T | 43.4 | Very low | 44.2 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -72.1 | 105 | 172.9 | -39.3 | 0 | 0 | 0 | 0 | 109.9 | I343 D347 | I343-T345 PolarHBondContact O-N 3.35Å; T345-D347 PolarHBondContact O-N 3.22Å |
| 346 | C | 40.5 | Very low | 43.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | trans | -76.2 | 107.5 | 173.5 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | I344 R348 | I344-C346 PolarHBondContact O-N 3.5Å; C346-R348 VanDerWaalsContact C-N 3.29Å; C346-R348 PolarHBondContact O-N 3.35Å |
| 347 | D | 39.3 | Very low | 43.6 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -70.1 | 85.6 | 170.2 | -172.3 | 16.3 | 0 | 0 | 0 | 110.6 | T345 G349 | T345-D347 PolarHBondContact O-N 3.22Å; D347-G349 PolarHBondContact O-N 3.41Å |
| 348 | R | 43.5 | Very low | 42.9 | Very low | 175 Ų | 175 | 135 Ų | 135 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | | | trans | -79.9 | 96.8 | 166.9 | 179.9 | -179.3 | -82.7 | -178 | -1.7 | 107.3 | C346 Y350 | C346-R348 VanDerWaalsContact C-N 3.29Å; C346-R348 PolarHBondContact O-N 3.35Å; R348-Y350 VanDerWaalsContact C-N 3.29Å; R348-Y350 HydrophobicContact CB-CD2 4.36Å; R348-Y350 HydrophobicContact CB-CE2 4.15Å; R348-Y350 WeakPolarHBondContact CD-OH 3.3Å; R348-Y350 HydrophobicContact CG-CD2 4.02Å; R348-Y350 HydrophobicContact CG-CE2 3.81Å; R348-Y350 PolarHBondContact NH1-OH 3.45Å; R348-Y350 VanDerWaalsContact O-CD2 3.26Å; R348-Y350 WeakPolarHBondContact O-CD2 3.4Å; R348-Y350 PolarHBondContact O-N 3.03Å |
| 349 | G | 40.3 | Very low | 42.5 | Very low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -55.7 | 89.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | D347 N351 | D347-G349 PolarHBondContact O-N 3.41Å; G349-N351 PolarHBondContact O-N 3Å |
| 350 | Y | 40.7 | Very low | 41.4 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 62% | 0.616 | 74% | 0.737 | S | S | * | * | | | trans | -79.2 | 109.7 | 168.8 | -77.5 | -79.9 | 0 | 0 | 0 | 108.1 | R348 Q352 | R348-Y350 VanDerWaalsContact C-N 3.29Å; R348-Y350 HydrophobicContact CB-CD2 4.36Å; R348-Y350 HydrophobicContact CB-CE2 4.15Å; R348-Y350 WeakPolarHBondContact CD-OH 3.3Å; R348-Y350 HydrophobicContact CG-CD2 4.02Å; R348-Y350 HydrophobicContact CG-CE2 3.81Å; R348-Y350 PolarHBondContact NH1-OH 3.45Å; R348-Y350 VanDerWaalsContact O-CD2 3.26Å; R348-Y350 WeakPolarHBondContact O-CD2 3.4Å; R348-Y350 PolarHBondContact O-N 3.03Å; Y350-Q352 PolarHBondContact O-N 3.23Å |
| 351 | N | 42.6 | Very low | 40.9 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | | | trans | -67.6 | 77.5 | 152.6 | -76.6 | -23.2 | 0 | 0 | 0 | 107.8 | G349 V353 | G349-N351 PolarHBondContact O-N 3Å; N351-V353 PolarHBondContact O-N 2.96Å |
| 352 | Q | 38.1 | Very low | 40.4 | Very low | 159 Ų | 159 | 139 Ų | 139 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | | | trans | -76 | 109.6 | 174.1 | -159.1 | 171.2 | 96.7 | 0 | 0 | 107.1 | Y350 T354 | Y350-Q352 PolarHBondContact O-N 3.23Å; Q352-T354 PolarHBondContact O-N 2.89Å; Q352-T354 VanDerWaalsContact O-N 3.12Å |
| 353 | V | 38.9 | Very low | 40.1 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -64.2 | 111.8 | 167.7 | 172.3 | 0 | 0 | 0 | 0 | 106.8 | N351 S355 | N351-V353 PolarHBondContact O-N 2.96Å; V353-S355 PolarHBondContact O-N 2.88Å |
| 354 | T | 33.6 | Very low | 39.4 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | | | trans | -66.9 | 96.3 | 176.6 | -34.6 | 0 | 0 | 0 | 0 | 109.3 | Q352 E356 | Q352-T354 PolarHBondContact O-N 2.89Å; Q352-T354 VanDerWaalsContact O-N 3.12Å; T354-E356 PolarHBondContact O-N 3.27Å |
| 355 | S | 37.2 | Very low | 38.4 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | -81.1 | 96.9 | 160 | 53.3 | 0 | 0 | 0 | 0 | 107.8 | V353 V357 | V353-S355 PolarHBondContact O-N 2.88Å; S355-V357 PolarHBondContact O-N 3.4Å |
| 356 | E | 34.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -56.6 | 108.3 | 164.9 | -77.8 | -178.1 | 120.1 | 0 | 0 | 108.9 | T354 T358 | T354-E356 PolarHBondContact O-N 3.27Å; E356-T358 VanDerWaalsContact C-N 3.33Å; E356-T358 PolarHBondContact O-N 3.42Å |
| 357 | V | 42.1 | Very low | 38 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -90.7 | 81.8 | 159.2 | 179.2 | 0 | 0 | 0 | 0 | 106.2 | S355 L359 | S355-V357 PolarHBondContact O-N 3.4Å; V357-L359 PolarHBondContact O-N 3.32Å; V357-L359 VanDerWaalsContact O-N 3.09Å |
| 358 | T | 32.8 | Very low | 37.9 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 60% | 0.595 | 76% | 0.758 | S | S | * | * | | | trans | -73.6 | 96.9 | 169.1 | -46.6 | 0 | 0 | 0 | 0 | 107.7 | E356 N360 | E356-T358 VanDerWaalsContact C-N 3.33Å; E356-T358 PolarHBondContact O-N 3.42Å; T358-N360 PolarHBondContact O-N 3.49Å |
| 359 | L | 37.4 | Very low | 37.5 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 71% | 0.707 | 77% | 0.765 | S | S | * | * | | | trans | -88.8 | 85.7 | 179.7 | -144.8 | 166.4 | 0 | 0 | 0 | 108.9 | V357 | V357-L359 PolarHBondContact O-N 3.32Å; V357-L359 VanDerWaalsContact O-N 3.09Å |
| 360 | N | 32.6 | Very low | 37.2 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -139.2 | 123.8 | 159.8 | -65.3 | -37.7 | 0 | 0 | 0 | 104.9 | T358 | T358-N360 PolarHBondContact O-N 3.49Š|
| 361 | D | 36.6 | Very low | 36.9 | Very low | 222 Ų | 222 | 141.9 Ų | 141.9 | 100% | 1.187 | 78% | 0.784 | S | S | * | * | | | cis | -112.6 | 0 | 1 | -70.6 | -59.7 | 0 | 0 | 0 | 112.1 | | |