| 1 | M | 66.7 | Low | 77.6 | Confident | 191 Ų | 191 | 141.5 Ų | 141.5 | 94% | 0.941 | 64% | 0.639 | S | S | * | * | | | | 0 | -91.6 | 0 | -66.5 | -156.1 | -93.3 | 0 | 0 | 111 | R3 N4 E5 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.05Å; M1-N4 PolarHBondContact N-OD1 3.47Å; M1-N4 VanDerWaalsContact N-OD1 3.14Å; M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.28Å; M1-N4 PolarHBondContact O-N 3.13Å; M1-N4 PolarHBondContact O-OD1 2.63Å; M1-E5 PolarHBondContact O-N 2.87Å |
| 2 | L | 68.7 | Low | 78.7 | Confident | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -47.8 | -37.4 | -171.6 | -70.5 | 170.9 | 0 | 0 | 0 | 116.7 | R6 | L2-R6 PolarHBondContact O-N 2.8Å |
| 3 | R | 70.9 | Confident | 79.6 | Confident | 205 Ų | 205 | 136.1 Ų | 136.1 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.6 | -43.4 | 176.4 | -169.6 | 178.3 | -74.1 | -154.5 | -0.5 | 112.1 | M1 E5 R6 Q7 | M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3.05Å; R3-E5 VanDerWaalsContact C-N 3.35Å; R3-R6 PolarHBondContact O-N 3.22Å; R3-Q7 PolarHBondContact O-N 2.99Å |
| 4 | N | 75.5 | Confident | 80.3 | Confident | 104 Ų | 104 | 130.6 Ų | 130.6 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 175.7 | -45 | 61.8 | 0 | 0 | 0 | 111.4 | M1 R6 Q7 F8 | M1-N4 PolarHBondContact N-OD1 3.47Å; M1-N4 VanDerWaalsContact N-OD1 3.14Å; M1-N4 WeakPolarHBondContact O-CA 3.2Å; M1-N4 WeakPolarHBondContact O-CB 3.28Å; M1-N4 PolarHBondContact O-N 3.13Å; M1-N4 PolarHBondContact O-OD1 2.63Å; N4-R6 VanDerWaalsContact C-N 3.31Å; N4-R6 PolarHBondContact O-N 3.36Å; N4-Q7 PolarHBondContact O-N 3.34Å; N4-F8 WeakPolarHBondContact O-CB 3.19Å; N4-F8 PolarHBondContact O-N 3.06Å |
| 5 | E | 77.3 | Confident | 81.1 | Confident | 84 Ų | 84 | 129.8 Ų | 129.8 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.4 | -37.5 | 174.6 | -89.3 | -166.9 | 81.8 | 0 | 0 | 113.1 | M1 R3 K9 | M1-E5 PolarHBondContact O-N 2.87Å; R3-E5 VanDerWaalsContact C-N 3.35Å; E5-K9 WeakPolarHBondContact O-CB 3.46Å; E5-K9 VanDerWaalsContact O-CD 3.28Å; E5-K9 WeakPolarHBondContact O-CD 3.44Å; E5-K9 WeakPolarHBondContact O-CG 3.36Å; E5-K9 PolarHBondContact O-N 2.73Å; E5-K9 IonicContact OE1-NZ 3.16Å; E5-K9 PolarHBondContact OE1-NZ 3.29Å |
| 6 | R | 77.3 | Confident | 81.8 | Confident | 201 Ų | 201 | 127.9 Ų | 127.9 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.2 | -48.4 | 173.7 | -91.4 | -168.2 | 171.9 | -160.9 | -2.4 | 110.9 | L2 R3 N4 F8 K9 E10 | L2-R6 PolarHBondContact O-N 2.8Å; R3-R6 PolarHBondContact O-N 3.22Å; N4-R6 VanDerWaalsContact C-N 3.31Å; N4-R6 PolarHBondContact O-N 3.36Å; R6-F8 PolarHBondContact O-N 2.69Å; R6-K9 PolarHBondContact O-N 3.18Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 WeakPolarHBondContact O-CB 3.48Å; R6-E10 PolarHBondContact O-N 2.98Å |
| 7 | Q | 75.6 | Confident | 82.4 | Confident | 113 Ų | 113 | 127.9 Ų | 127.9 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.7 | -44.4 | -179.9 | -66.9 | 175.6 | -78.9 | 0 | 0 | 111.8 | R3 N4 K9 E10 E11 | R3-Q7 PolarHBondContact O-N 2.99Å; N4-Q7 PolarHBondContact O-N 3.34Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 2.88Å; Q7-E10 PolarHBondContact O-N 3.14Å; Q7-E11 VanDerWaalsContact O-CB 3.29Å; Q7-E11 WeakPolarHBondContact O-CB 3.27Å; Q7-E11 PolarHBondContact O-N 3.21Å |
| 8 | F | 81.9 | Confident | 83 | Confident | 135 Ų | 135 | 128 Ų | 128 | 59% | 0.592 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -35.4 | 175.6 | -180 | -108 | 0 | 0 | 0 | 113.4 | N4 R6 K12 | N4-F8 WeakPolarHBondContact O-CB 3.19Å; N4-F8 PolarHBondContact O-N 3.06Å; R6-F8 PolarHBondContact O-N 2.69Å; F8-K12 VanDerWaalsContact O-CB 3.31Å; F8-K12 WeakPolarHBondContact O-CB 3.35Å; F8-K12 PolarHBondContact O-N 3.25Å; F8-K12 VanDerWaalsContact O-N 3.14Å |
| 9 | K | 86 | Confident | 83.5 | Confident | 113 Ų | 113 | 126.9 Ų | 126.9 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.2 | -34.5 | 175.8 | -70.2 | 164.7 | -164.7 | 170.6 | 0 | 111.8 | E5 R6 Q7 L13 | E5-K9 WeakPolarHBondContact O-CB 3.46Å; E5-K9 VanDerWaalsContact O-CD 3.28Å; E5-K9 WeakPolarHBondContact O-CD 3.44Å; E5-K9 WeakPolarHBondContact O-CG 3.36Å; E5-K9 PolarHBondContact O-N 2.73Å; E5-K9 IonicContact OE1-NZ 3.16Å; E5-K9 PolarHBondContact OE1-NZ 3.29Å; R6-K9 PolarHBondContact O-N 3.18Å; R6-K9 VanDerWaalsContact O-N 3.13Å; Q7-K9 VanDerWaalsContact C-N 3.33Å; Q7-K9 PolarHBondContact O-N 2.88Å; K9-L13 WeakPolarHBondContact O-CD1 3.49Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.42Å |
| 10 | E | 86 | Confident | 83.9 | Confident | 137 Ų | 137 | 122.9 Ų | 122.9 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.9 | -44.4 | 177.3 | -170.7 | 166.6 | -159.9 | 0 | 0 | 111.8 | R6 Q7 L13 A14 | R6-E10 WeakPolarHBondContact O-CB 3.48Å; R6-E10 PolarHBondContact O-N 2.98Å; Q7-E10 PolarHBondContact O-N 3.14Å; E10-L13 PolarHBondContact O-N 3.13Å; E10-A14 PolarHBondContact O-N 2.92Å |
| 11 | E | 87.6 | Confident | 84.3 | Confident | 130 Ų | 130 | 122.8 Ų | 122.8 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.9 | -47.5 | 173.6 | -175.2 | 168.7 | -142.1 | 0 | 0 | 111.7 | Q7 L13 A14 E15 | Q7-E11 VanDerWaalsContact O-CB 3.29Å; Q7-E11 WeakPolarHBondContact O-CB 3.27Å; Q7-E11 PolarHBondContact O-N 3.21Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.41Å; E11-A14 WeakPolarHBondContact O-CB 3.36Å; E11-A14 PolarHBondContact O-N 3.47Å; E11-A14 VanDerWaalsContact O-N 3.09Å; E11-E15 PolarHBondContact O-N 2.89Å |
| 12 | K | 91.4 | Very high | 85.6 | Confident | 112 Ų | 112 | 117.2 Ų | 117.2 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.3 | -34.3 | 175.5 | -175.9 | 172 | -178.7 | 174.7 | 0 | 113.4 | F8 Q16 | F8-K12 VanDerWaalsContact O-CB 3.31Å; F8-K12 WeakPolarHBondContact O-CB 3.35Å; F8-K12 PolarHBondContact O-N 3.25Å; F8-K12 VanDerWaalsContact O-N 3.14Å; K12-Q16 WeakPolarHBondContact O-CG 3.43Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 89.4 | Confident | 86.8 | Confident | 101 Ų | 101 | 116.2 Ų | 116.2 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.1 | -35.1 | 174.7 | -75.1 | 168.2 | 0 | 0 | 0 | 111.8 | K9 E10 E11 Q16 L17 | K9-L13 WeakPolarHBondContact O-CD1 3.49Å; K9-L13 VanDerWaalsContact O-CG 3.27Å; K9-L13 WeakPolarHBondContact O-CG 3.31Å; K9-L13 PolarHBondContact O-N 3.42Å; E10-L13 PolarHBondContact O-N 3.13Å; E11-L13 VanDerWaalsContact C-N 3.29Å; E11-L13 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.96Å |
| 14 | A | 90.4 | Very high | 87.9 | Confident | 60 Ų | 60 | 115.4 Ų | 115.4 | 50% | 0.496 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E10 E11 L17 K18 | E10-A14 PolarHBondContact O-N 2.92Å; E11-A14 WeakPolarHBondContact O-CB 3.36Å; E11-A14 PolarHBondContact O-N 3.47Å; E11-A14 VanDerWaalsContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.09Å; A14-K18 WeakPolarHBondContact O-CB 3.11Å; A14-K18 PolarHBondContact O-N 3.41Å |
| 15 | E | 91.9 | Very high | 88.8 | Confident | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.8 | -44.5 | 172.3 | -70.5 | -167.4 | 127.5 | 0 | 0 | 112.2 | E11 L17 K18 Q19 | E11-E15 PolarHBondContact O-N 2.89Å; E15-L17 PolarHBondContact O-N 2.99Å; E15-K18 PolarHBondContact O-N 3.38Å; E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.32Å |
| 16 | Q | 92.5 | Very high | 89.5 | Confident | 100 Ų | 100 | 119.5 Ų | 119.5 | 47% | 0.467 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -38.1 | 177.5 | -76.4 | -177.3 | -25.3 | 0 | 0 | 112.8 | K12 L13 A20 | K12-Q16 WeakPolarHBondContact O-CG 3.43Å; K12-Q16 PolarHBondContact O-N 3.2Å; K12-Q16 VanDerWaalsContact O-N 3.1Å; L13-Q16 PolarHBondContact O-N 3.26Å; Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 3.1Å |
| 17 | L | 91.7 | Very high | 90.4 | Very high | 127 Ų | 127 | 116.4 Ų | 116.4 | 67% | 0.665 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 173 | -80.4 | 167.2 | 0 | 0 | 0 | 111.8 | L13 A14 E15 A20 E21 | L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 2.96Å; A14-L17 PolarHBondContact O-N 3.09Å; E15-L17 PolarHBondContact O-N 2.99Å; L17-A20 PolarHBondContact O-N 3.14Å; L17-E21 PolarHBondContact O-N 2.85Å |
| 18 | K | 93.1 | Very high | 91.3 | Very high | 130 Ų | 130 | 116.1 Ų | 116.1 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61 | -46 | 176.8 | -175.5 | 174 | -179.1 | -69.9 | 0 | 112 | A14 E15 A20 E21 E22 | A14-K18 WeakPolarHBondContact O-CB 3.11Å; A14-K18 PolarHBondContact O-N 3.41Å; E15-K18 PolarHBondContact O-N 3.38Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-A20 PolarHBondContact O-N 2.96Å; K18-E21 PolarHBondContact O-N 3.39Å; K18-E22 IonicContact NZ-OE1 2.83Å; K18-E22 PolarHBondContact NZ-OE1 3.45Å; K18-E22 WeakPolarHBondContact O-CG 3.26Å; K18-E22 PolarHBondContact O-N 3.24Å |
| 19 | Q | 92 | Very high | 92 | Very high | 108 Ų | 108 | 115 Ų | 115 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -40.7 | 174.5 | -70.9 | 171.7 | 8.4 | 0 | 0 | 111.9 | E15 E21 E22 L23 | E15-Q19 WeakPolarHBondContact O-CG 3.48Å; E15-Q19 PolarHBondContact O-N 3.32Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.36Å; Q19-E22 PolarHBondContact O-N 3.24Å; Q19-L23 WeakPolarHBondContact O-CB 3.29Å; Q19-L23 VanDerWaalsContact O-CG 3.25Å; Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.2Å |
| 20 | A | 91.9 | Very high | 92.4 | Very high | 45 Ų | 45 | 113 Ų | 113 | 37% | 0.372 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -30 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q16 L17 K18 R24 | Q16-A20 VanDerWaalsContact O-CB 3.29Å; Q16-A20 WeakPolarHBondContact O-CB 3.39Å; Q16-A20 PolarHBondContact O-N 3.1Å; L17-A20 PolarHBondContact O-N 3.14Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-A20 PolarHBondContact O-N 2.96Å; A20-R24 VanDerWaalsContact O-CG 3.26Å; A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 2.93Å |
| 21 | E | 93.6 | Very high | 92.8 | Very high | 121 Ų | 121 | 110 Ų | 110 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.8 | -44.5 | 173.9 | -173 | 165.5 | -162.6 | 0 | 0 | 112.1 | L17 K18 Q19 L23 R24 Q25 | L17-E21 PolarHBondContact O-N 2.85Å; K18-E21 PolarHBondContact O-N 3.39Å; Q19-E21 VanDerWaalsContact C-N 3.31Å; Q19-E21 PolarHBondContact O-N 3.36Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 3.23Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 2.95Å; E21-Q25 WeakPolarHBondContact O-CG 3.34Å; E21-Q25 PolarHBondContact O-N 3.07Å |
| 22 | E | 93.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 105.6 Ų | 105.6 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 172.4 | -73.8 | 169.7 | -171.2 | 0 | 0 | 111.3 | K18 Q19 R24 Q25 Y26 | K18-E22 IonicContact NZ-OE1 2.83Å; K18-E22 PolarHBondContact NZ-OE1 3.45Å; K18-E22 WeakPolarHBondContact O-CG 3.26Å; K18-E22 PolarHBondContact O-N 3.24Å; Q19-E22 PolarHBondContact O-N 3.24Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.48Å; E22-Q25 PolarHBondContact O-N 3.23Å; E22-Q25 VanDerWaalsContact O-N 3.15Å; E22-Y26 VanDerWaalsContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CD2 3.47Å; E22-Y26 PolarHBondContact O-N 2.95Å |
| 23 | L | 93.9 | Very high | 93.4 | Very high | 123 Ų | 123 | 104.6 Ų | 104.6 | 64% | 0.644 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -32.7 | 175.2 | -73.7 | 170.3 | 0 | 0 | 0 | 113.3 | Q19 E21 K27 | Q19-L23 WeakPolarHBondContact O-CB 3.29Å; Q19-L23 VanDerWaalsContact O-CG 3.25Å; Q19-L23 WeakPolarHBondContact O-CG 3.25Å; Q19-L23 PolarHBondContact O-N 3.2Å; E21-L23 VanDerWaalsContact C-N 3.32Å; E21-L23 PolarHBondContact O-N 3.23Å; L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 PolarHBondContact O-N 2.93Å |
| 24 | R | 93 | Very high | 93.6 | Very high | 187 Ų | 187 | 104.4 Ų | 104.4 | 71% | 0.706 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 172.4 | -74.4 | 167.3 | -176.9 | -141.9 | 1.3 | 111.1 | A20 E21 E22 K27 V28 | A20-R24 VanDerWaalsContact O-CG 3.26Å; A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 2.93Å; E21-R24 WeakPolarHBondContact O-CB 3.39Å; E21-R24 PolarHBondContact O-N 2.95Å; E22-R24 VanDerWaalsContact C-N 3.31Å; E22-R24 PolarHBondContact O-N 3.48Å; R24-K27 PolarHBondContact O-N 2.99Å; R24-V28 WeakPolarHBondContact O-CG2 3.25Å; R24-V28 PolarHBondContact O-N 3.33Å; R24-V28 VanDerWaalsContact O-N 3.08Å |
| 25 | Q | 94.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 177.6 | -65.6 | 175.7 | 16.7 | 0 | 0 | 111.2 | E21 E22 K27 V28 L29 | E21-Q25 WeakPolarHBondContact O-CG 3.34Å; E21-Q25 PolarHBondContact O-N 3.07Å; E22-Q25 PolarHBondContact O-N 3.23Å; E22-Q25 VanDerWaalsContact O-N 3.15Å; Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 2.98Å; Q25-V28 PolarHBondContact O-N 3.14Å; Q25-L29 PolarHBondContact O-N 3.28Å |
| 26 | Y | 93.1 | Very high | 94.1 | Very high | 154 Ų | 154 | 110.1 Ų | 110.1 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 173.6 | -84.8 | -68.3 | 0 | 0 | 0 | 112.6 | E22 V28 L29 V30 | E22-Y26 VanDerWaalsContact O-CD2 3.29Å; E22-Y26 WeakPolarHBondContact O-CD2 3.47Å; E22-Y26 PolarHBondContact O-N 2.95Å; Y26-V28 VanDerWaalsContact C-N 3.34Å; Y26-V28 PolarHBondContact O-N 3.47Å; Y26-L29 PolarHBondContact O-N 2.91Å; Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.27Å |
| 27 | K | 95 | Very high | 94.2 | Very high | 135 Ų | 135 | 108.7 Ų | 108.7 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 176.7 | -175.4 | 172 | -179.6 | 177 | 0 | 112.8 | L23 R24 Q25 H31 | L23-K27 WeakPolarHBondContact O-CB 3.42Å; L23-K27 PolarHBondContact O-N 2.93Å; R24-K27 PolarHBondContact O-N 2.99Å; Q25-K27 VanDerWaalsContact C-N 3.33Å; Q25-K27 PolarHBondContact O-N 2.98Å; K27-H31 WeakPolarHBondContact CE-NE2 3.38Å; K27-H31 PolarHBondContact O-CD2 3.31Å; K27-H31 VanDerWaalsContact O-CD2 3.28Å; K27-H31 PolarHBondContact O-N 3.41Å; K27-H31 VanDerWaalsContact O-N 3.08Å |
| 28 | V | 95.6 | Very high | 94.4 | Very high | 107 Ų | 107 | 106.7 Ų | 106.7 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.3 | -43.1 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | R24 Q25 Y26 H31 A32 | R24-V28 WeakPolarHBondContact O-CG2 3.25Å; R24-V28 PolarHBondContact O-N 3.33Å; R24-V28 VanDerWaalsContact O-N 3.08Å; Q25-V28 PolarHBondContact O-N 3.14Å; Y26-V28 VanDerWaalsContact C-N 3.34Å; Y26-V28 PolarHBondContact O-N 3.47Å; V28-H31 PolarHBondContact O-N 3.39Å; V28-A32 PolarHBondContact O-N 2.73Å |
| 29 | L | 95.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 178 | -176.2 | 62.9 | 0 | 0 | 0 | 112.4 | Q25 Y26 A32 Q33 | Q25-L29 PolarHBondContact O-N 3.28Å; Y26-L29 PolarHBondContact O-N 2.91Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; L29-Q33 PolarHBondContact O-N 3.43Å |
| 30 | V | 95.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 105.4 Ų | 105.4 | 42% | 0.418 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | Y26 A32 Q33 E34 | Y26-V30 WeakPolarHBondContact O-CG2 3.43Å; Y26-V30 PolarHBondContact O-N 3.27Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.08Å; V30-Q33 PolarHBondContact O-N 3.04Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; V30-E34 HydrophobicContact CG1-CG 4.32Å; V30-E34 WeakPolarHBondContact O-CG 3.41Å; V30-E34 PolarHBondContact O-N 3.01Å |
| 31 | H | 93.4 | Very high | 94.6 | Very high | 75 Ų | 75 | 111.3 Ų | 111.3 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -23.4 | 177.2 | -72.2 | -37.9 | 0 | 0 | 0 | 114 | K27 V28 E34 R35 | K27-H31 WeakPolarHBondContact CE-NE2 3.38Å; K27-H31 PolarHBondContact O-CD2 3.31Å; K27-H31 VanDerWaalsContact O-CD2 3.28Å; K27-H31 PolarHBondContact O-N 3.41Å; K27-H31 VanDerWaalsContact O-N 3.08Å; V28-H31 PolarHBondContact O-N 3.39Å; H31-E34 IonicContact CE1-OE2 2.87Å; H31-E34 IonicContact CG-OE2 2.69Å; H31-E34 IonicContact ND1-OE2 2.73Å; H31-E34 PolarHBondContact ND1-OE2 2.9Å; H31-R35 VanDerWaalsContact O-CD 3.25Å; H31-R35 WeakPolarHBondContact O-CD 3.24Å; H31-R35 VanDerWaalsContact O-CG 3.24Å; H31-R35 WeakPolarHBondContact O-CG 3.29Å; H31-R35 PolarHBondContact O-NE 2.62Å |
| 32 | A | 95.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 111.2 Ų | 111.2 | 31% | 0.306 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.2 | -50.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V28 L29 V30 E34 R35 E36 | V28-A32 PolarHBondContact O-N 2.73Å; L29-A32 WeakPolarHBondContact O-CB 3.47Å; L29-A32 PolarHBondContact O-N 3.23Å; V30-A32 VanDerWaalsContact C-N 3.26Å; V30-A32 PolarHBondContact O-N 3.08Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 2.97Å; A32-R35 WeakPolarHBondContact O-CB 3.44Å; A32-R35 PolarHBondContact O-N 3.08Å; A32-E36 PolarHBondContact O-N 3.48Å |
| 33 | Q | 96.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 114 Ų | 114 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 179.3 | -170.9 | 170.8 | 53.8 | 0 | 0 | 112.8 | L29 V30 R35 E36 L37 | L29-Q33 PolarHBondContact O-N 3.43Å; V30-Q33 PolarHBondContact O-N 3.04Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 2.9Å; Q33-E36 PolarHBondContact O-N 3.4Å; Q33-L37 HydrophobicContact CG-CD1 4.16Å; Q33-L37 HydrophobicContact CG-CG 4.44Å; Q33-L37 WeakPolarHBondContact O-CB 3.41Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.37Å; Q33-L37 PolarHBondContact O-N 3.45Å |
| 34 | E | 95.1 | Very high | 94.2 | Very high | 96 Ų | 96 | 113.1 Ų | 113.1 | 45% | 0.449 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -38 | 172.3 | -76 | 173.9 | 161 | 0 | 0 | 112.5 | V30 H31 A32 T38 | V30-E34 HydrophobicContact CG1-CG 4.32Å; V30-E34 WeakPolarHBondContact O-CG 3.41Å; V30-E34 PolarHBondContact O-N 3.01Å; H31-E34 IonicContact CE1-OE2 2.87Å; H31-E34 IonicContact CG-OE2 2.69Å; H31-E34 IonicContact ND1-OE2 2.73Å; H31-E34 PolarHBondContact ND1-OE2 2.9Å; A32-E34 VanDerWaalsContact C-N 3.33Å; A32-E34 PolarHBondContact O-N 2.97Å; E34-T38 WeakPolarHBondContact O-CB 3.35Å; E34-T38 PolarHBondContact O-N 3.19Å; E34-T38 PolarHBondContact O-OG1 3.05Å |
| 35 | R | 95.4 | Very high | 94 | Very high | 175 Ų | 175 | 112.1 Ų | 112.1 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.5 | -44 | 177.5 | -67.3 | 163.8 | -174.8 | -177 | 0.6 | 111.2 | H31 A32 Q33 T38 Q39 | H31-R35 VanDerWaalsContact O-CD 3.25Å; H31-R35 WeakPolarHBondContact O-CD 3.24Å; H31-R35 VanDerWaalsContact O-CG 3.24Å; H31-R35 WeakPolarHBondContact O-CG 3.29Å; H31-R35 PolarHBondContact O-NE 2.62Å; A32-R35 WeakPolarHBondContact O-CB 3.44Å; A32-R35 PolarHBondContact O-N 3.08Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 2.9Å; R35-T38 WeakPolarHBondContact O-CB 3.16Å; R35-T38 PolarHBondContact O-N 3.11Å; R35-T38 VanDerWaalsContact O-N 3.15Å; R35-Q39 WeakPolarHBondContact O-CG 3.34Å; R35-Q39 PolarHBondContact O-N 3.15Å |
| 36 | E | 96.3 | Very high | 93.4 | Very high | 124 Ų | 124 | 111.9 Ų | 111.9 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 175.1 | -69.6 | 172.8 | -174.7 | 0 | 0 | 111.6 | A32 Q33 T38 Q39 L40 | A32-E36 PolarHBondContact O-N 3.48Å; Q33-E36 PolarHBondContact O-N 3.4Å; E36-T38 VanDerWaalsContact C-N 3.26Å; E36-T38 PolarHBondContact O-N 2.71Å; E36-Q39 PolarHBondContact O-N 3.37Å; E36-L40 WeakPolarHBondContact O-CB 3.45Å; E36-L40 PolarHBondContact O-N 3.38Å |
| 37 | L | 94.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 106.6 Ų | 106.6 | 37% | 0.366 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 174.3 | -74 | 170.2 | 0 | 0 | 0 | 112.4 | Q33 R41 | Q33-L37 HydrophobicContact CG-CD1 4.16Å; Q33-L37 HydrophobicContact CG-CG 4.44Å; Q33-L37 WeakPolarHBondContact O-CB 3.41Å; Q33-L37 VanDerWaalsContact O-CG 3.27Å; Q33-L37 WeakPolarHBondContact O-CG 3.37Å; Q33-L37 PolarHBondContact O-N 3.45Å; L37-R41 WeakPolarHBondContact O-CB 3.35Å; L37-R41 WeakPolarHBondContact O-CD 3.47Å; L37-R41 WeakPolarHBondContact O-CG 3.46Å; L37-R41 PolarHBondContact O-N 2.92Å |
| 38 | T | 95.8 | Very high | 92.7 | Very high | 84 Ų | 84 | 107.9 Ų | 107.9 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -47.3 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | E34 R35 E36 L40 R41 E42 | E34-T38 WeakPolarHBondContact O-CB 3.35Å; E34-T38 PolarHBondContact O-N 3.19Å; E34-T38 PolarHBondContact O-OG1 3.05Å; R35-T38 WeakPolarHBondContact O-CB 3.16Å; R35-T38 PolarHBondContact O-N 3.11Å; R35-T38 VanDerWaalsContact O-N 3.15Å; E36-T38 VanDerWaalsContact C-N 3.26Å; E36-T38 PolarHBondContact O-N 2.71Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.03Å; T38-R41 PolarHBondContact O-N 3.42Å; T38-E42 PolarHBondContact O-N 3.17Å |
| 39 | Q | 92.9 | Very high | 91.9 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.5 | -68.6 | 176.1 | 9.8 | 0 | 0 | 112.4 | R35 E36 E42 K43 | R35-Q39 WeakPolarHBondContact O-CG 3.34Å; R35-Q39 PolarHBondContact O-N 3.15Å; E36-Q39 PolarHBondContact O-N 3.37Å; Q39-E42 PolarHBondContact O-N 3.3Å; Q39-K43 WeakPolarHBondContact O-CG 3.27Å; Q39-K43 PolarHBondContact O-N 2.85Å |
| 40 | L | 94.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.1 | -174.7 | 62.4 | 0 | 0 | 0 | 111.5 | E36 T38 E42 K43 L44 | E36-L40 WeakPolarHBondContact O-CB 3.45Å; E36-L40 PolarHBondContact O-N 3.38Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.03Å; L40-E42 VanDerWaalsContact C-N 3.29Å; L40-E42 PolarHBondContact O-N 3.06Å; L40-K43 PolarHBondContact O-N 2.98Å; L40-L44 HydrophobicContact CD1-CD1 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.35Å |
| 41 | R | 93.6 | Very high | 89.9 | Confident | 170 Ų | 170 | 103.3 Ų | 103.3 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -32 | 173.9 | -75.8 | 166.1 | 175 | 173.7 | -2.3 | 113 | L37 T38 R45 | L37-R41 WeakPolarHBondContact O-CB 3.35Å; L37-R41 WeakPolarHBondContact O-CD 3.47Å; L37-R41 WeakPolarHBondContact O-CG 3.46Å; L37-R41 PolarHBondContact O-N 2.92Å; T38-R41 PolarHBondContact O-N 3.42Å; R41-R45 PolarHBondContact O-N 3.01Å |
| 42 | E | 93.6 | Very high | 89.1 | Confident | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.8 | -52.2 | 173.7 | -172.2 | 162.2 | -133.7 | 0 | 0 | 110.8 | T38 Q39 L40 L44 R45 E46 | T38-E42 PolarHBondContact O-N 3.17Å; Q39-E42 PolarHBondContact O-N 3.3Å; L40-E42 VanDerWaalsContact C-N 3.29Å; L40-E42 PolarHBondContact O-N 3.06Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.94Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 VanDerWaalsContact O-CB 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 2.81Å; E42-E46 PolarHBondContact O-N 3.37Å |
| 43 | K | 89.3 | Confident | 87.9 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -37.3 | 174.4 | -71 | 176.5 | 178.2 | 179.1 | 0 | 113.4 | Q39 L40 R45 E46 G47 | Q39-K43 WeakPolarHBondContact O-CG 3.27Å; Q39-K43 PolarHBondContact O-N 2.85Å; L40-K43 PolarHBondContact O-N 2.98Å; K43-R45 PolarHBondContact O-N 2.94Å; K43-E46 PolarHBondContact O-N 3.26Å; K43-G47 PolarHBondContact O-N 3.21Å |
| 44 | L | 90.4 | Very high | 87 | Confident | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -10.8 | 172.8 | -72.9 | 171.6 | 0 | 0 | 0 | 113.5 | L40 E42 R48 | L40-L44 HydrophobicContact CD1-CD1 4.48Å; L40-L44 HydrophobicContact CG-CD1 4.08Å; L40-L44 VanDerWaalsContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.48Å; L40-L44 PolarHBondContact O-N 3.35Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 2.94Å; L44-R48 PolarHBondContact O-NE 3.01Å; L44-R48 PolarHBondContact O-NH2 2.89Å |
| 45 | R | 89.4 | Confident | 86.2 | Confident | 166 Ų | 166 | 106 Ų | 106 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -88.1 | -51.5 | 166.7 | -171.5 | -179.4 | -61 | -176.5 | 0.1 | 109.8 | R41 E42 K43 G47 R48 D49 | R41-R45 PolarHBondContact O-N 3.01Å; E42-R45 WeakPolarHBondContact O-CA 3.26Å; E42-R45 VanDerWaalsContact O-CB 3.26Å; E42-R45 WeakPolarHBondContact O-CB 3.35Å; E42-R45 PolarHBondContact O-N 2.81Å; K43-R45 PolarHBondContact O-N 2.94Å; R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 3.47Å; R45-R48 CarbonylContact O-C 3.58Å; R45-R48 WeakPolarHBondContact O-CA 3.3Å; R45-R48 PolarHBondContact O-N 2.99Å; R45-D49 VanDerWaalsContact O-CG 3.3Å; R45-D49 PolarHBondContact O-N 3.44Å |
| 46 | E | 80.9 | Confident | 85.2 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52.1 | -45.8 | 176 | -65 | 175.8 | 145.7 | 0 | 0 | 112.1 | E42 K43 R48 D49 A50 | E42-E46 PolarHBondContact O-N 3.37Å; K43-E46 PolarHBondContact O-N 3.26Å; E46-R48 PolarHBondContact O-N 3.44Å; E46-D49 PolarHBondContact O-N 3.39Å; E46-A50 WeakPolarHBondContact O-CB 3.49Å; E46-A50 PolarHBondContact O-N 2.87Å |
| 47 | G | 86.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 103.3 Ų | 103.3 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | K43 R45 S51 | K43-G47 PolarHBondContact O-N 3.21Å; R45-G47 VanDerWaalsContact C-N 3.3Å; R45-G47 PolarHBondContact O-N 3.47Å; G47-S51 VanDerWaalsContact O-CB 3.22Å; G47-S51 WeakPolarHBondContact O-CB 3.25Å; G47-S51 PolarHBondContact O-N 3.39Å |
| 48 | R | 87.6 | Confident | 82.9 | Confident | 161 Ų | 161 | 101.8 Ų | 101.8 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.3 | -35.2 | 172.5 | -83.5 | -177.7 | -70.4 | 175.2 | -4.1 | 111.9 | L44 R45 E46 S51 R52 | L44-R48 PolarHBondContact O-NE 3.01Å; L44-R48 PolarHBondContact O-NH2 2.89Å; R45-R48 CarbonylContact O-C 3.58Å; R45-R48 WeakPolarHBondContact O-CA 3.3Å; R45-R48 PolarHBondContact O-N 2.99Å; E46-R48 PolarHBondContact O-N 3.44Å; R48-S51 PolarHBondContact O-N 3.34Å; R48-R52 WeakPolarHBondContact O-CB 3.28Å; R48-R52 WeakPolarHBondContact O-CG 3.35Å; R48-R52 PolarHBondContact O-N 3.15Å |
| 49 | D | 78.9 | Confident | 81.8 | Confident | 65 Ų | 65 | 103.2 Ų | 103.2 | 35% | 0.348 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.3 | -40.1 | 178.7 | -65.3 | -16.8 | 0 | 0 | 0 | 111 | R45 E46 R52 S53 | R45-D49 VanDerWaalsContact O-CG 3.3Å; R45-D49 PolarHBondContact O-N 3.44Å; E46-D49 PolarHBondContact O-N 3.39Å; D49-R52 PolarHBondContact O-N 3Å; D49-R52 IonicContact OD1-CZ 3.76Å; D49-R52 IonicContact OD1-NE 2.6Å; D49-R52 IonicContact OD1-NH2 2.62Å; D49-R52 PolarHBondContact OD1-NH2 3.34Å; D49-S53 WeakPolarHBondContact O-CB 3.34Å; D49-S53 PolarHBondContact O-N 3.11Å |
| 50 | A | 70.6 | Confident | 80.7 | Confident | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E46 S53 L54 | E46-A50 WeakPolarHBondContact O-CB 3.49Å; E46-A50 PolarHBondContact O-N 2.87Å; A50-S53 PolarHBondContact O-N 3.23Å; A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 PolarHBondContact O-N 3.27Å |
| 51 | S | 76.7 | Confident | 79.4 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 112.7 | G47 R48 N55 | G47-S51 VanDerWaalsContact O-CB 3.22Å; G47-S51 WeakPolarHBondContact O-CB 3.25Å; G47-S51 PolarHBondContact O-N 3.39Å; R48-S51 PolarHBondContact O-N 3.34Å; S51-N55 WeakPolarHBondContact O-CB 3.41Å; S51-N55 PolarHBondContact O-N 2.92Å |
| 52 | R | 77.5 | Confident | 77.9 | Confident | 150 Ų | 150 | 96.9 Ų | 96.9 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -49.3 | 173.4 | -74.6 | -168.5 | -66.3 | 160.4 | -3.4 | 112 | R48 D49 L54 N55 E56 | R48-R52 WeakPolarHBondContact O-CB 3.28Å; R48-R52 WeakPolarHBondContact O-CG 3.35Å; R48-R52 PolarHBondContact O-N 3.15Å; D49-R52 PolarHBondContact O-N 3Å; D49-R52 IonicContact OD1-CZ 3.76Å; D49-R52 IonicContact OD1-NE 2.6Å; D49-R52 IonicContact OD1-NH2 2.62Å; D49-R52 PolarHBondContact OD1-NH2 3.34Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.48Å; R52-N55 WeakPolarHBondContact O-CB 3.39Å; R52-N55 PolarHBondContact O-N 3.42Å; R52-N55 VanDerWaalsContact O-N 3.1Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.28Å |
| 53 | S | 69.3 | Low | 76.4 | Confident | 50 Ų | 50 | 95.3 Ų | 95.3 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | D49 A50 E56 H57 | D49-S53 WeakPolarHBondContact O-CB 3.34Å; D49-S53 PolarHBondContact O-N 3.11Å; A50-S53 PolarHBondContact O-N 3.23Å; S53-E56 PolarHBondContact O-N 2.85Å; S53-H57 PolarHBondContact O-CD2 2.87Å; S53-H57 PolarHBondContact O-N 3.31Å |
| 54 | L | 78.8 | Confident | 74.9 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -54.2 | 170.8 | 178.1 | 61.1 | 0 | 0 | 0 | 110.3 | A50 R52 E56 H57 L58 | A50-L54 VanDerWaalsContact O-CB 3.28Å; A50-L54 WeakPolarHBondContact O-CB 3.41Å; A50-L54 PolarHBondContact O-N 3.27Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.48Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 2.84Å; L54-H57 CarbonylContact O-C 3.56Å; L54-H57 WeakPolarHBondContact O-CA 3.37Å; L54-H57 PolarHBondContact O-N 2.86Å; L54-L58 HydrophobicContact CD1-CD1 4.26Å; L54-L58 HydrophobicContact CD1-CD2 3.97Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.15Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.23Å |
| 55 | N | 78 | Confident | 73.3 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -39.6 | 179.8 | -166.1 | -14.4 | 0 | 0 | 0 | 112.5 | S51 R52 L58 Q59 | S51-N55 WeakPolarHBondContact O-CB 3.41Å; S51-N55 PolarHBondContact O-N 2.92Å; R52-N55 WeakPolarHBondContact O-CB 3.39Å; R52-N55 PolarHBondContact O-N 3.42Å; R52-N55 VanDerWaalsContact O-N 3.1Å; N55-L58 PolarHBondContact O-N 2.99Å; N55-Q59 WeakPolarHBondContact O-CB 3.22Å; N55-Q59 VanDerWaalsContact O-CG 3.31Å; N55-Q59 WeakPolarHBondContact O-CG 3.36Å; N55-Q59 PolarHBondContact O-N 3.43Å; N55-Q59 PolarHBondContact OD1-NE2 2.68Å |
| 56 | E | 73.4 | Confident | 71.6 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 172.5 | -71.8 | 166.5 | -161.8 | 0 | 0 | 112.3 | R52 S53 L54 Q59 A60 | R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.28Å; S53-E56 PolarHBondContact O-N 2.85Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 2.84Å; E56-Q59 PolarHBondContact O-N 3.35Å; E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 3.2Å |
| 57 | H | 67.6 | Low | 70.3 | Confident | 119 Ų | 119 | 96.6 Ų | 96.6 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68 | -38 | 174.5 | -72.7 | -50.4 | 0 | 0 | 0 | 113.1 | S53 L54 A60 L61 | S53-H57 PolarHBondContact O-CD2 2.87Å; S53-H57 PolarHBondContact O-N 3.31Å; L54-H57 CarbonylContact O-C 3.56Å; L54-H57 WeakPolarHBondContact O-CA 3.37Å; L54-H57 PolarHBondContact O-N 2.86Å; H57-A60 PolarHBondContact O-N 3.49Å; H57-L61 WeakPolarHBondContact O-CG 3.4Å; H57-L61 PolarHBondContact O-N 3.37Å; H57-L61 VanDerWaalsContact O-N 3.12Å |
| 58 | L | 74.9 | Confident | 68.5 | Low | 38 Ų | 38 | 102 Ų | 102 | 20% | 0.199 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 173.8 | -61.9 | -177.7 | 0 | 0 | 0 | 109.6 | L54 N55 A60 L61 L62 L79 | L54-L58 HydrophobicContact CD1-CD1 4.26Å; L54-L58 HydrophobicContact CD1-CD2 3.97Å; L54-L58 HydrophobicContact CD1-CG 3.98Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.15Å; L54-L58 VanDerWaalsContact O-CG 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.23Å; N55-L58 PolarHBondContact O-N 2.99Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.89Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.28Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.87Å; L58-L79 HydrophobicContact CB-CD2 3.78Å; L58-L79 HydrophobicContact CB-CG 4.1Å; L58-L79 HydrophobicContact CD1-CG 4.2Å; L58-L79 HydrophobicContact CD2-CD1 4.06Å; L58-L79 HydrophobicContact CD2-CD2 3.82Å; L58-L79 HydrophobicContact CD2-CG 3.8Å; L58-L79 HydrophobicContact CG-CD2 4.26Å; L58-L79 HydrophobicContact CG-CG 4.2Å |
| 59 | Q | 73.4 | Confident | 67 | Low | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.7 | -38.6 | 174.8 | -75 | 176.5 | 45 | 0 | 0 | 112.8 | N55 E56 L61 L62 T63 | N55-Q59 WeakPolarHBondContact O-CB 3.22Å; N55-Q59 VanDerWaalsContact O-CG 3.31Å; N55-Q59 WeakPolarHBondContact O-CG 3.36Å; N55-Q59 PolarHBondContact O-N 3.43Å; N55-Q59 PolarHBondContact OD1-NE2 2.68Å; E56-Q59 PolarHBondContact O-N 3.35Å; Q59-L61 VanDerWaalsContact C-N 3.29Å; Q59-L61 PolarHBondContact O-N 2.6Å; Q59-L62 CarbonylContact O-C 3.54Å; Q59-L62 WeakPolarHBondContact O-CA 3.35Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.41Å; Q59-T63 PolarHBondContact O-N 3.36Å; Q59-T63 VanDerWaalsContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.39Å |
| 60 | A | 69.8 | Low | 66.1 | Low | 61 Ų | 61 | 103.1 Ų | 103.1 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E56 H57 L58 L62 T63 | E56-A60 WeakPolarHBondContact O-CB 3.49Å; E56-A60 PolarHBondContact O-N 3.2Å; H57-A60 PolarHBondContact O-N 3.49Å; L58-A60 VanDerWaalsContact C-N 3.3Å; L58-A60 PolarHBondContact O-N 2.89Å; A60-L62 VanDerWaalsContact C-N 3.32Å; A60-T63 WeakPolarHBondContact CA-OG1 3.48Å; A60-T63 PolarHBondContact O-OG1 2.78Å |
| 61 | L | 66.8 | Low | 65.4 | Low | 138 Ų | 138 | 107.9 Ų | 107.9 | 72% | 0.723 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.6 | -19.5 | 171.1 | -65.3 | 168.2 | 0 | 0 | 0 | 113.1 | H57 L58 Q59 | H57-L61 WeakPolarHBondContact O-CG 3.4Å; H57-L61 PolarHBondContact O-N 3.37Å; H57-L61 VanDerWaalsContact O-N 3.12Å; L58-L61 CarbonylContact O-C 3.59Å; L58-L61 WeakPolarHBondContact O-CA 3.28Å; L58-L61 WeakPolarHBondContact O-CB 3.29Å; L58-L61 PolarHBondContact O-N 3.22Å; Q59-L61 VanDerWaalsContact C-N 3.29Å; Q59-L61 PolarHBondContact O-N 2.6Å |
| 62 | L | 63.5 | Low | 64.5 | Low | 50 Ų | 50 | 106.7 Ų | 106.7 | 26% | 0.262 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -87.9 | -12 | 174.9 | -59.5 | -160.4 | 0 | 0 | 0 | 113.7 | L58 Q59 A60 P64 Q76 L79 | L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.87Å; Q59-L62 CarbonylContact O-C 3.54Å; Q59-L62 WeakPolarHBondContact O-CA 3.35Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.41Å; A60-L62 VanDerWaalsContact C-N 3.32Å; L62-P64 WeakPolarHBondContact O-CD 3.44Å; L62-Q76 HydrophobicContact CD1-CG 4.31Å; L62-Q76 HydrophobicContact CD2-CB 3.71Å; L62-Q76 HydrophobicContact CD2-CG 3.7Å; L62-L79 HydrophobicContact CD2-CB 4.2Å; L62-L79 HydrophobicContact CD2-CD2 3.53Å; L62-L79 HydrophobicContact CG-CD2 4.14Å |
| 63 | T | 61.6 | Low | 63.6 | Low | 84 Ų | 84 | 105.3 Ų | 105.3 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -66.9 | 119.5 | 175.9 | -7.9 | 0 | 0 | 0 | 0 | 110.1 | Q59 A60 D65 | Q59-T63 PolarHBondContact O-N 3.36Å; Q59-T63 VanDerWaalsContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.39Å; A60-T63 WeakPolarHBondContact CA-OG1 3.48Å; A60-T63 PolarHBondContact O-OG1 2.78Å; T63-D65 PolarHBondContact O-N 3.45Å |
| 64 | P | 57.9 | Low | 63.4 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 76% | 0.76 | 58% | 0.582 | S | S | * | * | | | trans | -83.9 | 56.2 | -169.1 | 35.1 | -37.8 | 0 | 0 | 0 | 113.3 | L62 E66 | L62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-E66 PolarHBondContact O-N 2.96Å |
| 65 | D | 56.2 | Low | 62.6 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 79% | 0.791 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -82.3 | 96.3 | 169.1 | -78.9 | -30.6 | 0 | 0 | 0 | 109.8 | T63 | T63-D65 PolarHBondContact O-N 3.45Š|
| 66 | E | 54.4 | Low | 62.1 | Low | 188 Ų | 188 | 109.8 Ų | 109.8 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 73.8 | 113.2 | -175.3 | -54.6 | -151.3 | 135.4 | 0 | 0 | 116.4 | P64 | P64-E66 PolarHBondContact O-N 2.96Š|
| 67 | P | 51.9 | Low | 61.9 | Low | 93 Ų | 93 | 110.1 Ų | 110.1 | 60% | 0.604 | 59% | 0.589 | S | S | * | * | | | trans | -100.2 | 99.7 | -173.3 | 36.4 | -32.9 | 0 | 0 | 0 | 114.1 | K69 | P67-K69 HydrophobicContact CB-CG 4.22Å; P67-K69 WeakPolarHBondContact O-CG 3.39Å; P67-K69 PolarHBondContact O-N 2.84Å |
| 68 | D | 49.6 | Very low | 61.9 | Low | 157 Ų | 157 | 110.6 Ų | 110.6 | 84% | 0.84 | 59% | 0.591 | S | S | * | * | | | trans | -81.6 | 105.6 | 158.5 | -99 | -29.7 | 0 | 0 | 0 | 110.1 | S70 | D68-S70 VanDerWaalsContact C-N 3.35Å; D68-S70 PolarHBondContact O-N 2.82Å |
| 69 | K | 57.3 | Low | 61.6 | Low | 171 Ų | 171 | 110.5 Ų | 110.5 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 64.8 | -159 | -59.7 | 176.8 | -172.8 | 172.1 | 0 | 114.1 | P67 | P67-K69 HydrophobicContact CB-CG 4.22Å; P67-K69 WeakPolarHBondContact O-CG 3.39Å; P67-K69 PolarHBondContact O-N 2.84Å |
| 70 | S | 59.3 | Low | 61.5 | Low | 79 Ų | 79 | 107 Ų | 107 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.8 | -68.2 | 160 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | D68 G72 Q73 | D68-S70 VanDerWaalsContact C-N 3.35Å; D68-S70 PolarHBondContact O-N 2.82Å; S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.35Å; S70-Q73 PolarHBondContact O-N 3.18Å; S70-Q73 VanDerWaalsContact O-N 3.14Å |
| 71 | Q | 55 | Low | 61.5 | Low | 160 Ų | 160 | 109 Ų | 109 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -27 | -170 | -63.8 | -170.1 | -68.2 | 0 | 0 | 114.4 | Q73 L75 | Q71-Q73 VanDerWaalsContact C-N 3.34Å; Q71-Q73 PolarHBondContact O-N 2.74Å; Q71-L75 WeakPolarHBondContact O-CG 3.31Å |
| 72 | G | 57.8 | Low | 61.8 | Low | 44 Ų | 44 | 104.3 Ų | 104.3 | 45% | 0.454 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.4 | -29.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S70 Q76 | S70-G72 VanDerWaalsContact C-N 3.29Å; S70-G72 PolarHBondContact O-N 3.35Å; G72-Q76 WeakPolarHBondContact O-CB 3.35Å; G72-Q76 PolarHBondContact O-N 2.92Å |
| 73 | Q | 59.7 | Low | 62 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -78.8 | -45.5 | -172.7 | -67 | -171.3 | -108.3 | 0 | 0 | 112.5 | S70 Q71 L75 Q76 E77 | S70-Q73 PolarHBondContact O-N 3.18Å; S70-Q73 VanDerWaalsContact O-N 3.14Å; Q71-Q73 VanDerWaalsContact C-N 3.34Å; Q71-Q73 PolarHBondContact O-N 2.74Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.16Å; Q73-Q76 WeakPolarHBondContact O-CB 3.43Å; Q73-Q76 PolarHBondContact O-N 3.48Å; Q73-Q76 VanDerWaalsContact O-N 3.1Å; Q73-E77 PolarHBondContact O-N 2.96Å |
| 74 | D | 63.9 | Low | 62.6 | Low | 112 Ų | 112 | 105.6 Ų | 105.6 | 60% | 0.599 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -42.2 | 177.2 | -63.4 | 8.3 | 0 | 0 | 0 | 111.1 | E77 Q78 | D74-E77 PolarHBondContact O-N 2.84Å; D74-Q78 WeakPolarHBondContact O-CB 3.42Å; D74-Q78 WeakPolarHBondContact O-CG 3.49Å; D74-Q78 PolarHBondContact O-N 3.45Å |
| 75 | L | 61.8 | Low | 62.8 | Low | 102 Ų | 102 | 105 Ų | 105 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -40.2 | 173.8 | -70.1 | 173.9 | 0 | 0 | 0 | 111.6 | Q71 Q73 L79 | Q71-L75 WeakPolarHBondContact O-CG 3.31Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.16Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CD1 3.34Å; L75-L79 PolarHBondContact O-N 2.96Å |
| 76 | Q | 68.4 | Low | 63.4 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.7 | 172.3 | 159.8 | 57.6 | 0 | 0 | 112.8 | L62 G72 Q73 A80 | L62-Q76 HydrophobicContact CD1-CG 4.31Å; L62-Q76 HydrophobicContact CD2-CB 3.71Å; L62-Q76 HydrophobicContact CD2-CG 3.7Å; G72-Q76 WeakPolarHBondContact O-CB 3.35Å; G72-Q76 PolarHBondContact O-N 2.92Å; Q73-Q76 WeakPolarHBondContact O-CB 3.43Å; Q73-Q76 PolarHBondContact O-N 3.48Å; Q73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 3.02Å |
| 77 | E | 68.8 | Low | 63.8 | Low | 133 Ų | 133 | 96.8 Ų | 96.8 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.7 | -42.5 | 177.5 | -173.4 | 154.5 | -152.5 | 0 | 0 | 111.6 | Q73 D74 L79 A80 E81 | Q73-E77 PolarHBondContact O-N 2.96Å; D74-E77 PolarHBondContact O-N 2.84Å; E77-L79 PolarHBondContact O-N 3.38Å; E77-A80 PolarHBondContact O-N 2.96Å; E77-E81 WeakPolarHBondContact O-CB 3.42Å; E77-E81 PolarHBondContact O-N 3.29Å |
| 78 | Q | 67.2 | Low | 64.4 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -38.8 | 172.7 | -71.5 | 178.1 | 7 | 0 | 0 | 112.5 | D74 E81 G82 | D74-Q78 WeakPolarHBondContact O-CB 3.42Å; D74-Q78 WeakPolarHBondContact O-CG 3.49Å; D74-Q78 PolarHBondContact O-N 3.45Å; Q78-E81 PolarHBondContact O-N 3.1Å; Q78-G82 PolarHBondContact O-N 3.35Å |
| 79 | L | 70.4 | Confident | 65.1 | Low | 36 Ų | 36 | 93.9 Ų | 93.9 | 19% | 0.188 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 171.7 | -101.4 | 55.5 | 0 | 0 | 0 | 111.7 | L58 L62 L75 E77 E81 G82 C83 | L58-L79 HydrophobicContact CB-CD2 3.78Å; L58-L79 HydrophobicContact CB-CG 4.1Å; L58-L79 HydrophobicContact CD1-CG 4.2Å; L58-L79 HydrophobicContact CD2-CD1 4.06Å; L58-L79 HydrophobicContact CD2-CD2 3.82Å; L58-L79 HydrophobicContact CD2-CG 3.8Å; L58-L79 HydrophobicContact CG-CD2 4.26Å; L58-L79 HydrophobicContact CG-CG 4.2Å; L62-L79 HydrophobicContact CD2-CB 4.2Å; L62-L79 HydrophobicContact CD2-CD2 3.53Å; L62-L79 HydrophobicContact CG-CD2 4.14Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.4Å; L75-L79 WeakPolarHBondContact O-CD1 3.34Å; L75-L79 PolarHBondContact O-N 2.96Å; E77-L79 PolarHBondContact O-N 3.38Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.05Å; L79-G82 PolarHBondContact O-N 3.31Å; L79-C83 WeakPolarHBondContact O-CB 3.41Å; L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å |
| 80 | A | 69.4 | Low | 65.7 | Low | 40 Ų | 40 | 90.3 Ų | 90.3 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q76 E77 R84 | Q76-A80 WeakPolarHBondContact O-CB 3.45Å; Q76-A80 PolarHBondContact O-N 3.02Å; E77-A80 PolarHBondContact O-N 2.96Å; A80-R84 VanDerWaalsContact O-CG 3.27Å; A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 2.94Å; A80-R84 VanDerWaalsContact O-N 3.11Å; A80-R84 PolarHBondContact O-NE 2.79Å |
| 81 | E | 69.6 | Low | 65.6 | Low | 102 Ų | 102 | 92.9 Ų | 92.9 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -47.2 | 170.2 | -167.9 | 157 | -140.3 | 0 | 0 | 112.2 | E77 Q78 L79 C83 R84 L85 | E77-E81 WeakPolarHBondContact O-CB 3.42Å; E77-E81 PolarHBondContact O-N 3.29Å; Q78-E81 PolarHBondContact O-N 3.1Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-E81 PolarHBondContact O-N 3.05Å; E81-C83 VanDerWaalsContact C-N 3.29Å; E81-C83 PolarHBondContact O-N 3.05Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.24Å; E81-R84 VanDerWaalsContact O-N 3.1Å; E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.84Å |
| 82 | G | 73.1 | Confident | 66.1 | Low | 39 Ų | 39 | 92 Ų | 92 | 40% | 0.402 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q78 L79 L85 A86 | Q78-G82 PolarHBondContact O-N 3.35Å; L79-G82 PolarHBondContact O-N 3.31Å; G82-L85 PolarHBondContact O-N 2.92Å; G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 2.92Å |
| 83 | C | 69.6 | Low | 65.6 | Low | 28 Ų | 28 | 96.2 Ų | 96.2 | 19% | 0.189 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 174.4 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | L79 E81 A86 Q87 | L79-C83 WeakPolarHBondContact O-CB 3.41Å; L79-C83 PolarHBondContact O-N 3.3Å; L79-C83 PolarHBondContact O-SG 3.04Å; E81-C83 VanDerWaalsContact C-N 3.29Å; E81-C83 PolarHBondContact O-N 3.05Å; C83-A86 PolarHBondContact O-N 2.91Å; C83-Q87 VanDerWaalsContact O-CG 3.29Å; C83-Q87 WeakPolarHBondContact O-CG 3.31Å; C83-Q87 PolarHBondContact O-N 2.89Å |
| 84 | R | 73 | Confident | 65.2 | Low | 133 Ų | 133 | 93.4 Ų | 93.4 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175 | -77.7 | 174.5 | -72.3 | 167.2 | 0.2 | 111.5 | A80 E81 Q87 H88 | A80-R84 VanDerWaalsContact O-CG 3.27Å; A80-R84 WeakPolarHBondContact O-CG 3.27Å; A80-R84 PolarHBondContact O-N 2.94Å; A80-R84 VanDerWaalsContact O-N 3.11Å; A80-R84 PolarHBondContact O-NE 2.79Å; E81-R84 WeakPolarHBondContact O-CB 3.49Å; E81-R84 PolarHBondContact O-N 3.24Å; E81-R84 VanDerWaalsContact O-N 3.1Å; R84-Q87 PolarHBondContact O-N 2.84Å; R84-H88 WeakPolarHBondContact O-CB 3.18Å; R84-H88 PolarHBondContact O-N 3.03Å |
| 85 | L | 62 | Low | 64.2 | Low | 105 Ų | 105 | 93.9 Ų | 93.9 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.4 | -68.6 | 171.6 | 0 | 0 | 0 | 111.9 | E81 G82 H88 L89 | E81-L85 HydrophobicContact CG-CD1 4.16Å; E81-L85 HydrophobicContact CG-CG 4.47Å; E81-L85 WeakPolarHBondContact O-CG 3.47Å; E81-L85 PolarHBondContact O-N 2.84Å; G82-L85 PolarHBondContact O-N 2.92Å; L85-H88 PolarHBondContact O-N 3.27Å; L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.83Å |
| 86 | A | 69.3 | Low | 63.2 | Low | 47 Ų | 47 | 97.1 Ų | 97.1 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G82 C83 L89 V90 | G82-A86 WeakPolarHBondContact O-CB 3.37Å; G82-A86 PolarHBondContact O-N 2.92Å; C83-A86 PolarHBondContact O-N 2.91Å; A86-L89 PolarHBondContact O-N 3.36Å; A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.8Å |
| 87 | Q | 63.5 | Low | 62 | Low | 116 Ų | 116 | 99 Ų | 99 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.1 | -73.8 | 170.2 | 0.2 | 0 | 0 | 112 | C83 R84 L89 V90 Q91 | C83-Q87 VanDerWaalsContact O-CG 3.29Å; C83-Q87 WeakPolarHBondContact O-CG 3.31Å; C83-Q87 PolarHBondContact O-N 2.89Å; R84-Q87 PolarHBondContact O-N 2.84Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.94Å; Q87-V90 PolarHBondContact O-N 3.32Å; Q87-V90 VanDerWaalsContact O-N 3.17Å; Q87-Q91 WeakPolarHBondContact O-CG 3.46Å; Q87-Q91 PolarHBondContact O-N 2.71Å |
| 88 | H | 63.8 | Low | 60.9 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 41% | 0.407 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 175.7 | 178.4 | -145.9 | 0 | 0 | 0 | 112.3 | R84 L85 Q91 K92 | R84-H88 WeakPolarHBondContact O-CB 3.18Å; R84-H88 PolarHBondContact O-N 3.03Å; L85-H88 PolarHBondContact O-N 3.27Å; H88-Q91 PolarHBondContact O-N 3.37Å; H88-K92 PolarHBondContact CE1-NZ 3.16Å; H88-K92 WeakPolarHBondContact NE2-CE 3.48Å; H88-K92 PolarHBondContact NE2-NZ 3.31Å; H88-K92 VanDerWaalsContact NE2-NZ 3.17Å; H88-K92 WeakPolarHBondContact O-CG 3.36Å; H88-K92 PolarHBondContact O-N 3.49Å |
| 89 | L | 64.5 | Low | 59.6 | Low | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 172.1 | -176 | 62.5 | 0 | 0 | 0 | 112.1 | L85 A86 Q87 Q91 K92 L93 | L85-L89 WeakPolarHBondContact O-CB 3.34Å; L85-L89 PolarHBondContact O-N 2.83Å; A86-L89 PolarHBondContact O-N 3.36Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 2.94Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.81Å; L89-K92 PolarHBondContact O-N 3.48Å; L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.86Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.86Å |
| 90 | V | 70.8 | Confident | 58.6 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 58% | 0.576 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.6 | -33.9 | 174.7 | 167.7 | 0 | 0 | 0 | 0 | 112 | A86 Q87 S94 | A86-V90 WeakPolarHBondContact O-CG2 3.46Å; A86-V90 PolarHBondContact O-N 2.8Å; Q87-V90 PolarHBondContact O-N 3.32Å; Q87-V90 VanDerWaalsContact O-N 3.17Å; V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 PolarHBondContact O-OG 3.06Å |
| 91 | Q | 55.7 | Low | 57.4 | Low | 134 Ų | 134 | 107.1 Ų | 107.1 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -49.7 | 171.5 | -73.7 | 167 | -26.3 | 0 | 0 | 110.7 | Q87 H88 L89 L93 S94 | Q87-Q91 WeakPolarHBondContact O-CG 3.46Å; Q87-Q91 PolarHBondContact O-N 2.71Å; H88-Q91 PolarHBondContact O-N 3.37Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.81Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.88Å; Q91-S94 WeakPolarHBondContact O-CB 3.33Å; Q91-S94 PolarHBondContact O-N 3.43Å; Q91-S94 VanDerWaalsContact O-N 3.16Å |
| 92 | K | 65.3 | Low | 56.6 | Low | 140 Ų | 140 | 109.5 Ų | 109.5 | 61% | 0.609 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.7 | -17.5 | 178.1 | -73.6 | -177.6 | 169.3 | 177.3 | 0 | 115.9 | H88 L89 | H88-K92 PolarHBondContact CE1-NZ 3.16Å; H88-K92 WeakPolarHBondContact NE2-CE 3.48Å; H88-K92 PolarHBondContact NE2-NZ 3.31Å; H88-K92 VanDerWaalsContact NE2-NZ 3.17Å; H88-K92 WeakPolarHBondContact O-CG 3.36Å; H88-K92 PolarHBondContact O-N 3.49Å; L89-K92 PolarHBondContact O-N 3.48Å |
| 93 | L | 48.5 | Very low | 55.4 | Low | 134 Ų | 134 | 115.1 Ų | 115.1 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -1.6 | 174.7 | -64.6 | 178.5 | 0 | 0 | 0 | 112.9 | L89 Q91 | L89-L93 HydrophobicContact CD1-CD1 3.86Å; L89-L93 HydrophobicContact CD1-CG 4.08Å; L89-L93 HydrophobicContact CG-CD1 3.86Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.14Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.48Å; L89-L93 PolarHBondContact O-N 2.86Å; Q91-L93 VanDerWaalsContact C-N 3.28Å; Q91-L93 PolarHBondContact O-N 2.88Å |
| 94 | S | 50.9 | Low | 54.1 | Low | 62 Ų | 62 | 121.1 Ų | 121.1 | 43% | 0.434 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -75.7 | 142.1 | 158.6 | -60 | 0 | 0 | 0 | 0 | 107.4 | V90 Q91 E96 | V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 PolarHBondContact O-OG 3.06Å; Q91-S94 WeakPolarHBondContact O-CB 3.33Å; Q91-S94 PolarHBondContact O-N 3.43Å; Q91-S94 VanDerWaalsContact O-N 3.16Å; S94-E96 PolarHBondContact O-N 3.12Å; S94-E96 VanDerWaalsContact O-N 3.12Å |
| 95 | P | 43.3 | Very low | 52.7 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.2 | 171.4 | 26.3 | -32.6 | 0 | 0 | 0 | 108.1 | N97 | P95-N97 PolarHBondContact O-N 3.31Š|
| 96 | E | 40.4 | Very low | 51.7 | Low | 169 Ų | 169 | 122.3 Ų | 122.3 | 79% | 0.79 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120.1 | 177.4 | -155.6 | 136.2 | -140.6 | 0 | 0 | 107.3 | S94 D98 | S94-E96 PolarHBondContact O-N 3.12Å; S94-E96 VanDerWaalsContact O-N 3.12Å; E96-D98 PolarHBondContact O-N 3.3Å |
| 97 | N | 43.6 | Very low | 50.2 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | | | trans | -92.3 | 92.5 | 178.6 | 179 | 103.4 | 0 | 0 | 0 | 105.8 | P95 N99 | P95-N97 PolarHBondContact O-N 3.31Å; N97-N99 PolarHBondContact ND2-OD1 3.23Å; N97-N99 PolarHBondContact O-N 2.75Å |
| 98 | D | 45.3 | Very low | 49.2 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | | | trans | -58.6 | 76.4 | -177.1 | -56.7 | -30 | 0 | 0 | 0 | 112 | E96 | E96-D98 PolarHBondContact O-N 3.3Š|
| 99 | N | 39.1 | Very low | 47.8 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | | | trans | -94.1 | 87.3 | 160.1 | -78.8 | 16.5 | 0 | 0 | 0 | 106.6 | N97 D101 | N97-N99 PolarHBondContact ND2-OD1 3.23Å; N97-N99 PolarHBondContact O-N 2.75Å; N99-D101 PolarHBondContact O-N 3.36Å |
| 100 | D | 50 | Low | 46.2 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | | | trans | -68.7 | 74 | 162.5 | -67.7 | -44.6 | 0 | 0 | 0 | 108.6 | D102 | D100-D102 PolarHBondContact O-N 3.35Š|
| 101 | D | 44.2 | Very low | 44.4 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | | | trans | -75.7 | 70.7 | 173.4 | -75.8 | -40.3 | 0 | 0 | 0 | 109.2 | N99 E103 | N99-D101 PolarHBondContact O-N 3.36Å; D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 2.98Å |
| 102 | D | 53.1 | Low | 43.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | | | trans | -63.1 | 74.3 | 173.4 | -90.8 | -30.8 | 0 | 0 | 0 | 111.6 | D100 | D100-D102 PolarHBondContact O-N 3.35Š|
| 103 | E | 47.8 | Very low | 41.6 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | | | trans | -110.7 | 49.1 | 179 | -78.8 | -72.9 | -172.3 | 0 | 0 | 113.1 | D101 V105 | D101-E103 VanDerWaalsContact C-N 3.26Å; D101-E103 PolarHBondContact O-N 2.98Å; E103-V105 PolarHBondContact O-N 3.4Å; E103-V105 VanDerWaalsContact O-N 3.12Å |
| 104 | D | 43.2 | Very low | 40.6 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | | | trans | -84.3 | 55.8 | 168.1 | -152.7 | 7.5 | 0 | 0 | 0 | 111.1 | | |
| 105 | V | 41.7 | Very low | 39.4 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 58% | 0.582 | 72% | 0.718 | S | S | * | * | | | trans | -103.2 | 98.9 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | E103 V107 | E103-V105 PolarHBondContact O-N 3.4Å; E103-V105 VanDerWaalsContact O-N 3.12Å; V105-V107 HydrophobicContact CG1-CG2 4.17Å; V105-V107 PolarHBondContact O-N 3.07Å |
| 106 | Q | 41.8 | Very low | 38.5 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | | | trans | -64.8 | 112.5 | 166.4 | -63 | 179.1 | 12.7 | 0 | 0 | 110.9 | E108 | Q106-E108 PolarHBondContact O-N 3.38Š|
| 107 | V | 38 | Very low | 37.8 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | trans | -95.4 | 68 | 170.5 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | V105 V109 | V105-V107 HydrophobicContact CG1-CG2 4.17Å; V105-V107 PolarHBondContact O-N 3.07Å; V107-V109 HydrophobicContact CG1-CB 4.42Å; V107-V109 HydrophobicContact CG1-CG2 3.86Å; V107-V109 PolarHBondContact O-N 2.85Å |
| 108 | E | 41.7 | Very low | 37.3 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -73.8 | 96.9 | 162.4 | -87.7 | -142.4 | 134.8 | 0 | 0 | 110.1 | Q106 | Q106-E108 PolarHBondContact O-N 3.38Š|
| 109 | V | 34.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 73% | 0.727 | S | S | * | * | | | trans | -140.4 | 119.9 | 173.8 | -179 | 0 | 0 | 0 | 0 | 109.4 | V107 | V107-V109 HydrophobicContact CG1-CB 4.42Å; V107-V109 HydrophobicContact CG1-CG2 3.86Å; V107-V109 PolarHBondContact O-N 2.85Å |
| 110 | A | 31.5 | Very low | 36.1 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | | | cis | -154.9 | 145 | -13.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 111 | E | 31.9 | Very low | 35 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | | | | 33.7 | 115.7 | 129 | -146.4 | -147.9 | 146.1 | 0 | 0 | 119.1 | | |
| 112 | K | 32.1 | Very low | 34.2 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | | 172.8 | 126.2 | 103.3 | -91.2 | -175.4 | 172.5 | 70.7 | 0 | 116.2 | | |
| 113 | V | 31.9 | Very low | 33 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | | | trans | 77.9 | 94 | 130.2 | -179.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 114 | Q | 26.8 | Very low | 32 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | | 72 | 135.6 | 121.2 | -65.2 | -178.7 | 28.2 | 0 | 0 | 124 | | |
| 115 | K | 24.4 | Very low | 31.4 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 74% | 0.735 | 74% | 0.743 | S | S | * | * | | | trans | 75 | 95.8 | 136.5 | -74.2 | 167.4 | -174.9 | 158.7 | 0 | 120.2 | | |
| 116 | S | 25.8 | Very low | 30.8 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 119.1 | 161.1 | 95.1 | 76.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 117 | S | 25.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | 77 | 114.5 | 154.4 | -51.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 118 | A | 33.4 | Very low | 29.9 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -78.7 | 146.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 119 | P | 30.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | | | trans | -83.6 | 114 | 170.1 | 32 | -30.7 | 0 | 0 | 0 | 110.7 | | |
| 120 | R | 27.6 | Very low | 29 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | | | trans | -95.2 | 144.3 | 159.4 | -145.1 | -165.7 | -165.2 | -142.9 | 15.6 | 107.9 | | |
| 121 | E | 26.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 59% | 0.589 | 75% | 0.748 | S | S | * | * | | | trans | 48.4 | 109 | 161.7 | -67.2 | 173.5 | 94.9 | 0 | 0 | 118.3 | | |
| 122 | M | 27.9 | Very low | 29.6 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 100% | 0.995 | 75% | 0.753 | S | S | * | * | | | trans | -134.3 | 129.5 | 135.4 | -129.6 | 178.6 | -173.8 | 0 | 0 | 110 | | |
| 123 | Q | 28 | Very low | 29.5 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | -101.3 | 164.1 | -173.9 | -58.5 | 178.5 | -1.7 | 0 | 0 | 111.4 | | |
| 124 | K | 27.5 | Very low | 29.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 81.1 | 98 | 140 | -163.1 | -178 | -177.4 | -176.4 | 0 | 119.3 | | |
| 125 | A | 30.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -145.3 | 102.9 | 131.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 126 | E | 29.6 | Very low | 30.3 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | | 92.7 | 81.7 | 67.9 | -169.2 | 165.4 | 154.2 | 0 | 0 | 112.9 | | |
| 127 | E | 27.1 | Very low | 30.5 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | | | trans | 65.4 | 147.9 | 137.3 | -141.2 | -178.1 | -129 | 0 | 0 | 121.4 | | |
| 128 | K | 32.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | 81.5 | 140.8 | 163 | -50.1 | -171.2 | -169.3 | -173.7 | 0 | 117.2 | | |
| 129 | E | 27.9 | Very low | 30.3 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | cis | -149.1 | 157.8 | -8.6 | -124.8 | 163.8 | 148.2 | 0 | 0 | 110.6 | | |
| 130 | V | 30 | Very low | 30.2 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -100.4 | 137.3 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | E132 | V130-E132 HydrophobicContact CG1-CG 4.16Å; V130-E132 VanDerWaalsContact CG1-N 3.34Å |
| 131 | P | 43.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | | | | -124.7 | 129.6 | 106.7 | -2 | 22.7 | 0 | 0 | 0 | 113.6 | | |
| 132 | E | 33.2 | Very low | 30 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | -78.8 | 156.1 | 146.5 | -59.8 | 170.3 | 122.5 | 0 | 0 | 108.7 | V130 | V130-E132 HydrophobicContact CG1-CG 4.16Å; V130-E132 VanDerWaalsContact CG1-N 3.34Å |
| 133 | D | 29.7 | Very low | 29.9 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | -180 | 141.1 | 153.6 | -97.9 | -29.3 | 0 | 0 | 0 | 106.9 | | |
| 134 | S | 35.5 | Very low | 30 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | cis | -169.7 | 170.6 | -11.4 | 48.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 135 | L | 32.2 | Very low | 30.1 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | cis | -156.3 | 168.4 | 26.5 | -79.9 | 169.5 | 0 | 0 | 0 | 110.8 | | |
| 136 | E | 32.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | 59.2 | 151.4 | 151.9 | -98 | 69.6 | -100.6 | 0 | 0 | 120.5 | | |
| 137 | E | 29.9 | Very low | 29.9 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | cis | -146 | 154 | -9.1 | -161.6 | 170.7 | 169.8 | 0 | 0 | 112.6 | | |
| 138 | C | 29.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | -45.8 | 170.7 | 159 | -70 | 0 | 0 | 0 | 0 | 116.8 | | |
| 139 | A | 25.3 | Very low | 29.5 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | | | cis | -178.4 | 149.3 | -23.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | I | 27.6 | Very low | 29.3 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 53.1 | 127.2 | 148.1 | -52.6 | 152.2 | 0 | 0 | 0 | 119.9 | | |
| 141 | T | 27.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | | | | 177.2 | 140.1 | 118.6 | 28.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 142 | Y | 24.4 | Very low | 28.6 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | 62.7 | 115.9 | 141.3 | -71.2 | -52 | 0 | 0 | 0 | 126.8 | | |
| 143 | S | 25.7 | Very low | 28.5 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | | 87 | 145.9 | 115.9 | -69.8 | 0 | 0 | 0 | 0 | 124.6 | | |
| 144 | N | 29 | Very low | 29.2 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | | | trans | -76.5 | 152 | 171.5 | -62.2 | -24.5 | 0 | 0 | 0 | 114.7 | | |
| 145 | S | 30.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | trans | -159.4 | 128.9 | 140.5 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 146 | H | 29.2 | Very low | 28.6 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 89% | 0.889 | 74% | 0.744 | S | S | * | * | | | | 47.4 | 129.4 | 78 | -75.9 | -72.5 | 0 | 0 | 0 | 113.5 | | |
| 147 | G | 26.2 | Very low | 28.3 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | cis | -163.5 | -152.8 | -1.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 148 | S | 25.9 | Very low | 28.2 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | cis | 177.5 | 128.9 | 12.4 | 165.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 149 | Y | 23.8 | Very low | 28.1 | Very low | 209 Ų | 209 | 140.7 Ų | 140.7 | 82% | 0.82 | 75% | 0.746 | S | S | * | * | | | trans | 63.4 | 163.2 | 156.1 | -78.2 | -113.2 | 0 | 0 | 0 | 117.7 | | |
| 150 | D | 25.7 | Very low | 28.2 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | | | cis | -151.5 | 161.4 | 1.5 | -148.1 | -5.5 | 0 | 0 | 0 | 115.1 | | |
| 151 | S | 29.1 | Very low | 28.1 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 53% | 0.531 | 75% | 0.747 | S | S | . | * | | | trans | 46.5 | 128 | 139.9 | -99.3 | 0 | 0 | 0 | 0 | 127 | | |
| 152 | N | 28.8 | Very low | 28 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | | 102.3 | 106.6 | 123.8 | -65.7 | -14.8 | 0 | 0 | 0 | 123.3 | | |
| 153 | Q | 31.7 | Very low | 28.1 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | | | trans | -38.1 | -178 | 134.5 | -95 | -167 | 21 | 0 | 0 | 116.2 | | |
| 154 | P | 42.4 | Very low | 28.7 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | | | cis | -134.4 | -166.9 | 5.5 | 18.2 | 12 | 0 | 0 | 0 | 113.2 | | |
| 155 | H | 26.3 | Very low | 28.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -173.3 | 145 | 49.1 | -98.2 | -47.9 | 0 | 0 | 0 | 115.4 | | |
| 156 | R | 28.8 | Very low | 28.2 | Very low | 210 Ų | 210 | 146 Ų | 146 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | | | trans | 53.1 | 106.7 | 139.7 | -60.7 | 176.5 | -178.9 | -162.8 | 0.2 | 119.2 | | |
| 157 | K | 27.1 | Very low | 28.1 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | | | | 64.7 | 118.8 | 82.3 | -73.1 | -171.2 | 176.8 | -171.3 | 0 | 116.8 | | |
| 158 | T | 27.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 92% | 0.92 | 73% | 0.728 | S | S | * | * | | | | -150.2 | 169.6 | 119.7 | -69.5 | 0 | 0 | 0 | 0 | 108 | | |
| 159 | K | 26.9 | Very low | 27.8 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 56% | 0.557 | 73% | 0.726 | S | S | * | * | | | trans | -142 | 166.1 | -164.1 | -153.2 | -168.5 | -179.3 | -174.8 | 0 | 108.7 | | |
| 160 | I | 27.6 | Very low | 27.9 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | 72.6 | 146.1 | 160.4 | -64.1 | 163.7 | 0 | 0 | 0 | 114.8 | | |
| 161 | T | 25.9 | Very low | 27.9 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | | | cis | -170.1 | 179.2 | -35.5 | 44.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 162 | F | 24.3 | Very low | 27.8 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | | | trans | 98 | 123.7 | 138.8 | -135.9 | -124.5 | 0 | 0 | 0 | 118.9 | | |
| 163 | E | 26.3 | Very low | 27.7 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | | | trans | 88.2 | 132.7 | 140 | -117.4 | 65.1 | 154.9 | 0 | 0 | 124.9 | | |
| 164 | E | 38.4 | Very low | 27.6 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -59.1 | 141.4 | 157.3 | -55.3 | 172.8 | 82.3 | 0 | 0 | 110.3 | | |
| 165 | D | 26.2 | Very low | 27.2 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | | | trans | -139.5 | 126.7 | 132.5 | -146.8 | 11.1 | 0 | 0 | 0 | 111.9 | | |
| 166 | K | 24.2 | Very low | 27.2 | Very low | 168 Ų | 168 | 139 Ų | 139 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -0.5 | 139.1 | 151.6 | -73 | 165.3 | -166 | 135.6 | 0 | 120.1 | | |
| 167 | V | 25.5 | Very low | 27 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | | | trans | 21.4 | 153 | 138.2 | -61.1 | 0 | 0 | 0 | 0 | 122 | | |
| 168 | D | 23.6 | Very low | 27.1 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | 84.9 | 82 | 153.2 | -77.8 | -52.4 | 0 | 0 | 0 | 120.4 | | |
| 169 | S | 23.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | | | | 87.3 | 146 | 102.7 | -71 | 0 | 0 | 0 | 0 | 121.1 | | |
| 170 | T | 24.7 | Very low | 27.1 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | 76.7 | 115.9 | 154.5 | 28.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 171 | L | 25.6 | Very low | 27.1 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | trans | 70.9 | 141.8 | 139 | -109.6 | 65.4 | 0 | 0 | 0 | 117.5 | | |
| 172 | I | 27.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | | | cis | -143.3 | 142.1 | 18.6 | -56.8 | 169.8 | 0 | 0 | 0 | 109.8 | | |
| 173 | G | 27.6 | Very low | 27.4 | Very low | 66 Ų | 66 | 134.6 Ų | 134.6 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | | | trans | 167.9 | 88.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 174 | S | 29.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | 65.1 | 125.5 | 171.3 | -53.4 | 0 | 0 | 0 | 0 | 116 | | |
| 175 | S | 33.2 | Very low | 27.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | cis | 69.6 | 123.9 | 47.8 | -168 | 0 | 0 | 0 | 0 | 113.2 | | |
| 176 | S | 26.9 | Very low | 27.6 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | cis | -164.9 | 129.1 | -13.7 | 31.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 177 | H | 24.2 | Very low | 28 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | | | | 63.7 | 101.7 | 72.1 | -162.8 | -100.4 | 0 | 0 | 0 | 116.3 | | |
| 178 | V | 28.3 | Very low | 28.6 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | | | trans | 114.5 | 141.4 | 137.8 | 109.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 179 | E | 28.8 | Very low | 28.8 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | trans | 70.9 | 164 | 156.9 | -74.7 | 174.6 | 170.1 | 0 | 0 | 122.6 | | |
| 180 | W | 27 | Very low | 29 | Very low | 208 Ų | 208 | 138 Ų | 138 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | | | trans | 71.5 | 109.9 | 175.9 | -51.6 | 82.6 | 0 | 0 | 0 | 114.6 | | |
| 181 | E | 27.8 | Very low | 29.3 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | cis | 90.4 | 131.6 | 49.3 | -77.1 | -160.6 | 155.4 | 0 | 0 | 114.2 | | |
| 182 | D | 28.7 | Very low | 29.5 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | 63.4 | 174.1 | 150.5 | -158.7 | 29.4 | 0 | 0 | 0 | 119.7 | | |
| 183 | A | 27.2 | Very low | 29.8 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | | | trans | 67.5 | 103.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 184 | V | 30.2 | Very low | 30.2 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | | | | 90.3 | 149.7 | 70.2 | 162.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 185 | H | 33.2 | Very low | 30.6 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | trans | -52.9 | 141.6 | 178.5 | -52.7 | -69.5 | 0 | 0 | 0 | 113.4 | | |
| 186 | I | 31.4 | Very low | 30.8 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | -118.8 | 110.9 | 145.5 | -64.3 | -178 | 0 | 0 | 0 | 107.4 | | |
| 187 | I | 33.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 64% | 0.641 | 76% | 0.763 | S | S | * | * | | | trans | -73.3 | 139.3 | 163 | -60.4 | 169.9 | 0 | 0 | 0 | 106.2 | E189 | I187-E189 PolarHBondContact O-N 3.18Š|
| 188 | P | 37.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -66.8 | 100.6 | 164.2 | 28.3 | -32 | 0 | 0 | 0 | 108.6 | | |
| 189 | E | 26.3 | Very low | 31.7 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -64.4 | 133 | 175.9 | -67.2 | 170.9 | 133.3 | 0 | 0 | 110.2 | I187 | I187-E189 PolarHBondContact O-N 3.18Š|
| 190 | N | 29.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | | | trans | -97.7 | 87.7 | 172.6 | -80.1 | -15.6 | 0 | 0 | 0 | 109.5 | | |
| 191 | E | 30.5 | Very low | 31.9 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -111 | 148.1 | 156.5 | -63.6 | -170.8 | 150.6 | 0 | 0 | 107.8 | | |
| 192 | S | 29.3 | Very low | 32.6 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | | | cis | -144.3 | 163.3 | -0.1 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 193 | D | 34.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | | -179.1 | 139.3 | 111.9 | -91.3 | 7.2 | 0 | 0 | 0 | 110 | | |
| 194 | D | 35.1 | Very low | 32.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -81.4 | 163.9 | -168.4 | -52.9 | -86.1 | 0 | 0 | 0 | 114.3 | | |
| 195 | E | 39.4 | Very low | 33.7 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | | -167.5 | 160.6 | 112.8 | -96.2 | -64.2 | -179 | 0 | 0 | 110.5 | | |
| 196 | E | 36.5 | Very low | 33.4 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -77.6 | 157.2 | -158.9 | -58.5 | -179.4 | 140.2 | 0 | 0 | 116.9 | | |
| 197 | E | 35.6 | Very low | 33.3 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | | -179.5 | 162 | 114.2 | -95.5 | -73.6 | -170.6 | 0 | 0 | 114 | | |
| 198 | E | 33.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -54.9 | 127.9 | -158.3 | -76 | -169.5 | -179.9 | 0 | 0 | 120 | K200 | E198-K200 IonicContact OE2-NZ 3.55Å; E198-K200 PolarHBondContact OE2-NZ 3.33Å |
| 199 | E | 30.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | | 28.9 | 124.3 | 108.7 | -164.6 | -134.3 | -132.4 | 0 | 0 | 119.2 | | |
| 200 | K | 31.6 | Very low | 32.9 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | | -158.3 | 120 | 128.6 | -79.2 | -49.3 | 152.3 | -81.3 | 0 | 113.1 | E198 | E198-K200 IonicContact OE2-NZ 3.55Å; E198-K200 PolarHBondContact OE2-NZ 3.33Å |
| 201 | G | 26.5 | Very low | 33.1 | Very low | 56 Ų | 56 | 143.7 Ų | 143.7 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | | | trans | -122.9 | -164.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 202 | P | 44 | Very low | 33.1 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | cis | -134.1 | -179.8 | -39.2 | 39.3 | -24.4 | 0 | 0 | 0 | 112.5 | | |
| 203 | V | 26.1 | Very low | 33.1 | Very low | 134 Ų | 134 | 146 Ų | 146 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | trans | 68.9 | 104.4 | 162 | -170.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 204 | S | 30.1 | Very low | 33 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | 47 | 172.2 | 132.5 | -111.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 205 | P | 52.6 | Low | 32.8 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -128 | 174.2 | -28.8 | 39.9 | -26.6 | 0 | 0 | 0 | 113.1 | | |
| 206 | R | 27.2 | Very low | 32.3 | Very low | 253 Ų | 253 | 146.2 Ų | 146.2 | 96% | 0.955 | 76% | 0.756 | S | S | * | * | | | trans | -165.1 | 169 | 149.8 | -114.1 | 160.9 | -165.4 | -167.8 | 3 | 115.9 | | |
| 207 | N | 28 | Very low | 32.6 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | | | trans | -119.3 | -178.3 | -171.7 | -103.3 | -81.9 | 0 | 0 | 0 | 111.6 | | |
| 208 | L | 30.7 | Very low | 32.2 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | trans | 83.9 | 141.2 | 169.6 | -56.1 | -179.1 | 0 | 0 | 0 | 115.3 | | |
| 209 | Q | 29.6 | Very low | 31.9 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | cis | -164.7 | 148.7 | -10.4 | -165.1 | 177.1 | -72.5 | 0 | 0 | 107.1 | | |
| 210 | E | 29.3 | Very low | 32 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | | 169.6 | 119.1 | 98.5 | -89.5 | 180 | 165.9 | 0 | 0 | 106.9 | | |
| 211 | S | 33.9 | Very low | 31.7 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 71.8 | 148.7 | 104.1 | 72.1 | 0 | 0 | 0 | 0 | 115 | | |
| 212 | E | 30.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | cis | -135.4 | 150.6 | 22.1 | -69.3 | 163.1 | 119.8 | 0 | 0 | 113.6 | | |
| 213 | E | 29.5 | Very low | 31.3 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 58.8 | 128.7 | 136.2 | -64.2 | 174.2 | -179.9 | 0 | 0 | 121.4 | | |
| 214 | E | 31.7 | Very low | 31.4 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | | 76.3 | 134.7 | 71.6 | -141.5 | 175.3 | -157.6 | 0 | 0 | 112 | | |
| 215 | E | 31.4 | Very low | 31.5 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | | | cis | -120.9 | 160.2 | 14.4 | -74.9 | 178.5 | 99.9 | 0 | 0 | 115.1 | | |
| 216 | V | 29.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -117.9 | 132.1 | 149.5 | 164.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 217 | P | 42.3 | Very low | 30.8 | Very low | 83 Ų | 83 | 146.8 Ų | 146.8 | 54% | 0.539 | 76% | 0.76 | S | S | . | * | | | | -154.3 | 146.2 | 112.9 | 35.9 | -16.4 | 0 | 0 | 0 | 119.5 | | |
| 218 | Q | 26.7 | Very low | 30.7 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 73.7 | 136.5 | 131 | -72.9 | 166.7 | -98.9 | 0 | 0 | 123.2 | | |
| 219 | E | 28.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | 68.2 | 139.3 | 142.4 | -69 | 160.3 | -146.1 | 0 | 0 | 117.9 | | |
| 220 | S | 31.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | | | cis | -152.3 | -179 | 36.3 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 221 | W | 26 | Very low | 30.9 | Very low | 209 Ų | 209 | 139.4 Ų | 139.4 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | | | trans | -85.8 | 153 | -177.5 | -61.7 | 70.6 | 0 | 0 | 0 | 113.4 | | |
| 222 | D | 31.6 | Very low | 31 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | | | | 168.7 | 116.8 | 129.3 | -86.6 | -8.5 | 0 | 0 | 0 | 107.1 | | |
| 223 | E | 30.8 | Very low | 31.2 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | cis | 72.7 | 76.5 | 39.1 | -152.6 | 73.6 | -96.5 | 0 | 0 | 113.7 | | |
| 224 | G | 28.5 | Very low | 31.2 | Very low | 58 Ų | 58 | 142 Ų | 142 | 60% | 0.598 | 76% | 0.755 | S | S | * | * | | | trans | 89.1 | 89.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 225 | Y | 32.2 | Very low | 31 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 96% | 0.961 | 76% | 0.755 | S | S | * | * | | | trans | -143.3 | 87.4 | 146.8 | -89.3 | -69.3 | 0 | 0 | 0 | 112.3 | | |
| 226 | S | 34.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -87.4 | 128.8 | 166.6 | -70.1 | 0 | 0 | 0 | 0 | 111 | | |
| 227 | T | 29.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | | -177.3 | 123.7 | 127.5 | 22.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 228 | L | 26.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | | | trans | 46.4 | 123.5 | 152.3 | -74.7 | 79.6 | 0 | 0 | 0 | 120.5 | N843 | L228-N843 HydrophobicContact CD2-CB 4.2Š|
| 229 | S | 28.7 | Very low | 30.2 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | | | | -160.5 | 143.6 | 91.4 | -136.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 230 | I | 35.7 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 67% | 0.672 | 77% | 0.772 | S | S | * | * | | | trans | -82.8 | 147.4 | -178.7 | -61.2 | 157 | 0 | 0 | 0 | 111 | | |
| 231 | P | 29.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | | -119.8 | 155.8 | 122.9 | 35.9 | -32.8 | 0 | 0 | 0 | 111.9 | | |
| 232 | P | 34.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -87.3 | 165.1 | -162.6 | 35.4 | -38 | 0 | 0 | 0 | 114.9 | M234 | P232-M234 PolarHBondContact O-N 2.97Å; P232-M234 VanDerWaalsContact O-N 3.13Å |
| 233 | E | 36.6 | Very low | 29.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -70.5 | 95.2 | 167.8 | -64.1 | -177.7 | 132.6 | 0 | 0 | 111.8 | | |
| 234 | M | 28.7 | Very low | 29.9 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | -175.5 | 173.1 | 139.1 | -115.3 | -174.7 | -81.8 | 0 | 0 | 113 | P232 | P232-M234 PolarHBondContact O-N 2.97Å; P232-M234 VanDerWaalsContact O-N 3.13Å |
| 235 | L | 28.5 | Very low | 29.9 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | 77 | 83.5 | 170 | -50.5 | -171.6 | 0 | 0 | 0 | 117 | | |
| 236 | A | 27.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | | 24 | 115.3 | 119.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 237 | S | 28.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -145.4 | 82 | 152.6 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 238 | Y | 31 | Very low | 29.5 | Very low | 241 Ų | 241 | 140.8 Ų | 140.8 | 95% | 0.945 | 76% | 0.764 | S | S | * | * | | | trans | -128.9 | 66.8 | 154.5 | -133.8 | -93.1 | 0 | 0 | 0 | 110.3 | | |
| 239 | Q | 26.1 | Very low | 29.6 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -120.5 | 143.2 | 168.9 | -93.1 | -154.9 | 20 | 0 | 0 | 108.6 | | |
| 240 | S | 27.9 | Very low | 29.7 | Very low | 83 Ų | 83 | 148 Ų | 148 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | | | cis | -162.7 | -171.3 | -6.4 | -165.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 241 | Y | 29 | Very low | 29.4 | Very low | 212 Ų | 212 | 150.8 Ų | 150.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | 84.5 | 133.1 | 167.5 | -62.3 | -89.7 | 0 | 0 | 0 | 118.1 | | |
| 242 | S | 26 | Very low | 29.4 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | cis | -171.6 | 179.8 | -19.7 | 61.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 243 | S | 27.1 | Very low | 29 | Very low | 93 Ų | 93 | 154.5 Ų | 154.5 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | cis | -175.1 | 155.2 | 10.2 | 15.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 244 | T | 31.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 151 Ų | 151 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | | | cis | -167.7 | 177 | -12.2 | 25.6 | 0 | 0 | 0 | 0 | 104.9 | | |
| 245 | F | 26.9 | Very low | 28.5 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | cis | -138.2 | -146.4 | 21.6 | -61.6 | -97.1 | 0 | 0 | 0 | 110.3 | | |
| 246 | H | 26.4 | Very low | 28.5 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | -144.8 | 162.4 | -176.8 | -75.9 | -95.8 | 0 | 0 | 0 | 111.7 | | |
| 247 | S | 30.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -98.4 | 153.8 | 161.8 | -39.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 248 | L | 31.6 | Very low | 28.4 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -169.7 | 177.9 | 134.5 | -150.5 | 54.3 | 0 | 0 | 0 | 111.7 | | |
| 249 | E | 28.8 | Very low | 28.2 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 131.5 | 164.7 | -138.5 | 148.6 | -127.6 | 0 | 0 | 114.3 | | |
| 250 | E | 30.3 | Very low | 28.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | -114.2 | 150 | 15.3 | -57.4 | 172.5 | 114 | 0 | 0 | 114.6 | | |
| 251 | Q | 30.3 | Very low | 28.1 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | trans | -146.6 | 124.2 | 151.5 | -166.5 | 171.6 | 17.3 | 0 | 0 | 110.1 | | |
| 252 | Q | 29.8 | Very low | 28.1 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -79.2 | 134.9 | -173.3 | -63.3 | 176.7 | 1.7 | 0 | 0 | 112.4 | | |
| 253 | V | 24.8 | Very low | 28.2 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -138.6 | 125.2 | 162.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 254 | C | 29.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 154.5 Ų | 154.5 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -85.4 | 135.7 | 172.3 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 255 | M | 27.1 | Very low | 28 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 95% | 0.946 | 79% | 0.785 | S | S | * | * | | | trans | -163.1 | 158 | 135.4 | -110 | -172.4 | -62.2 | 0 | 0 | 111.3 | | |
| 256 | A | 27.6 | Very low | 28 | Very low | 85 Ų | 85 | 153.1 Ų | 153.1 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | trans | -112.7 | 174.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 257 | V | 25.9 | Very low | 28 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | 73.6 | 136.3 | 148 | 156.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 258 | D | 27.6 | Very low | 27.9 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | | | cis | -155.8 | 172.5 | 15.6 | -141.8 | -9.6 | 0 | 0 | 0 | 116.4 | | |
| 259 | I | 26.7 | Very low | 28 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | | | trans | 47.6 | 114 | 152.3 | -69 | 153.1 | 0 | 0 | 0 | 120.3 | | |
| 260 | G | 26.6 | Very low | 28.1 | Very low | 74 Ų | 74 | 150 Ų | 150 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -144.9 | 118.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 261 | R | 26.9 | Very low | 28.1 | Very low | 215 Ų | 215 | 147.1 Ų | 147.1 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | -83.2 | 179.7 | 174.6 | -70.4 | -173.9 | -177.8 | -97.6 | 2.9 | 109.1 | | |
| 262 | H | 28.9 | Very low | 28.1 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | cis | -171.5 | 148.7 | 36.9 | 0 | -102 | 0 | 0 | 0 | 113.3 | | |
| 263 | R | 26.4 | Very low | 28.1 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | trans | 56.1 | 147.8 | 146.6 | -66.9 | -178.4 | -174.5 | -99.3 | 0.4 | 118 | | |
| 264 | W | 26.5 | Very low | 28.3 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 74% | 0.739 | 73% | 0.73 | S | S | * | * | | | cis | -170 | 173.5 | 7.7 | -128 | -23.7 | 0 | 0 | 0 | 107.8 | | |
| 265 | D | 29.8 | Very low | 28.3 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 51% | 0.513 | 73% | 0.731 | S | S | . | * | | | cis | -163.7 | 175.7 | -2.8 | -160 | 9.7 | 0 | 0 | 0 | 110 | | |
| 266 | Q | 25.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | | | trans | 67.5 | 151.4 | 152.1 | -79.5 | 163 | 70.7 | 0 | 0 | 120.6 | | |
| 267 | V | 26.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | cis | -168.2 | 165.2 | -30.4 | 102.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 268 | K | 29.6 | Very low | 29.5 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | | | trans | 88.1 | 157.4 | 175.5 | -60.4 | -168.5 | -175.6 | 177.1 | 0 | 116.9 | | |
| 269 | K | 34.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 145 Ų | 145 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | | | cis | 178.4 | 151.4 | -43.1 | -133.1 | -179.5 | 140.2 | -133.7 | 0 | 108.4 | | |
| 270 | E | 30.4 | Very low | 30 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 62% | 0.621 | 74% | 0.737 | S | S | * | * | | | trans | 64.9 | 142 | 158.9 | -71 | 155.8 | 148.9 | 0 | 0 | 115 | | |
| 271 | D | 30.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | | | cis | -145.6 | 144.5 | -5.5 | -95.6 | -36.6 | 0 | 0 | 0 | 107.7 | | |
| 272 | Q | 30 | Very low | 30.7 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | | 88.1 | 137.6 | 61.6 | -150 | 177.1 | 130 | 0 | 0 | 113 | | |
| 273 | E | 30.1 | Very low | 30.8 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | | | trans | 68.2 | 149 | 177.9 | -63 | -152.1 | 112.1 | 0 | 0 | 118.6 | | |
| 274 | A | 29.2 | Very low | 31.2 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | | | cis | -166 | 173.5 | -21.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 275 | T | 28.1 | Very low | 31.4 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | | | trans | 69.5 | 104.2 | 153 | -48.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 276 | G | 30 | Very low | 31.7 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | -106.2 | 160.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 277 | P | 43.9 | Very low | 32 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -144.6 | 129.4 | 132.3 | 34.7 | -18.4 | 0 | 0 | 0 | 113.3 | | |
| 278 | R | 31.6 | Very low | 32.3 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | | 99.5 | 117.4 | 76.5 | -81.1 | -177.3 | 172.1 | -153.6 | -2.6 | 115.6 | | |
| 279 | L | 30.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | trans | 57.1 | 120.5 | 130.3 | -52.4 | 171.7 | 0 | 0 | 0 | 121.9 | | |
| 280 | S | 35.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | 171.4 | 163.9 | 131.6 | -79.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 281 | R | 34.5 | Very low | 32.6 | Very low | 195 Ų | 195 | 141 Ų | 141 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | cis | -171 | 137.9 | -47.2 | -142.8 | -178.4 | 130 | 104.1 | 2.6 | 112.3 | | |
| 282 | E | 34 | Very low | 32.7 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 63% | 0.631 | 77% | 0.766 | S | S | * | * | | | trans | 74.9 | 148.7 | 143.7 | -122.2 | 162.8 | -166.4 | 0 | 0 | 124.8 | | |
| 283 | L | 31.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | 69.6 | 132.1 | 165.8 | -52.6 | 177.8 | 0 | 0 | 0 | 118 | | |
| 284 | L | 34.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | cis | 73.9 | 117.7 | 31.5 | -64.6 | 171.9 | 0 | 0 | 0 | 116 | | |
| 285 | D | 30.6 | Very low | 32.8 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | | -168.6 | 176.1 | 95 | -138.2 | -22.5 | 0 | 0 | 0 | 113.3 | | |
| 286 | E | 35.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -86 | 152.7 | -174.1 | -54.6 | 179 | 132.8 | 0 | 0 | 116.6 | | |
| 287 | K | 32.5 | Very low | 32.8 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | | 159.8 | 145.1 | 116.5 | -90.8 | 176.8 | -178.9 | 177.4 | 0 | 116.9 | | |
| 288 | G | 32.3 | Very low | 32.1 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | trans | -97.6 | -166.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 289 | P | 41.5 | Very low | 31.9 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | cis | -139.7 | -152.4 | 27.4 | 40.8 | -19 | 0 | 0 | 0 | 114.1 | | |
| 290 | E | 29.5 | Very low | 31.8 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | 74.1 | 150.8 | 164.4 | -71.7 | 166.3 | -167 | 0 | 0 | 119 | | |
| 291 | V | 30.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | | | | -176.7 | 122 | -52.7 | 137.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 292 | L | 30.7 | Very low | 31.3 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | 49.7 | 161.2 | 148.6 | -54.2 | 178.9 | 0 | 0 | 0 | 119 | | |
| 293 | Q | 30.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -150.6 | 149.9 | 36 | -80.7 | -176.1 | -96.7 | 0 | 0 | 114 | | |
| 294 | D | 29.4 | Very low | 31.2 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | | | trans | 57.3 | 156.2 | 133.9 | -51.6 | -21.5 | 0 | 0 | 0 | 120.8 | | |
| 295 | S | 31.6 | Very low | 30.7 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | cis | -134.2 | 153.6 | 9.6 | 58 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | L | 31.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | trans | -80.9 | 146.9 | 152 | -75.3 | 160.1 | 0 | 0 | 0 | 108.7 | | |
| 297 | D | 28.1 | Very low | 30 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | | -148.3 | 167.3 | 116.5 | -153.8 | 4.9 | 0 | 0 | 0 | 111.3 | | |
| 298 | R | 29.3 | Very low | 30.1 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -147.1 | 125.3 | -165.9 | 168.9 | -154.2 | -65.4 | 179.5 | -2.2 | 108.9 | | |
| 299 | C | 26.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -168.4 | 161.1 | 140.2 | -111.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 300 | Y | 28 | Very low | 29.2 | Very low | 212 Ų | 212 | 142.2 Ų | 142.2 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -79.4 | 154 | 179 | -62.5 | -103.9 | 0 | 0 | 0 | 112.3 | | |
| 301 | S | 27 | Very low | 29.1 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | | 172.9 | 145.1 | 114.2 | -74.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 302 | T | 33.3 | Very low | 28.8 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -94 | 151.5 | 163 | -28.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 303 | P | 34.7 | Very low | 28.7 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | | | | -153.6 | 167.7 | 105.2 | 39.3 | -22.4 | 0 | 0 | 0 | 116.3 | | |
| 304 | S | 27.2 | Very low | 28.4 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 45.6 | 134.3 | 150.3 | 57.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 305 | G | 24 | Very low | 28.9 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 89.5 | 141.2 | 21.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 306 | C | 23 | Very low | 28.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | | | cis | -148.8 | -178 | 0.8 | -71.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 307 | L | 29.5 | Very low | 28 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -145.6 | 122.2 | 166.7 | -131.6 | 176.3 | 0 | 0 | 0 | 110.2 | | |
| 308 | E | 34.3 | Very low | 27.9 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -106.1 | 145.7 | -176.5 | -59.3 | 162.4 | 113 | 0 | 0 | 111.2 | | |
| 309 | L | 27.2 | Very low | 27.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -151.9 | 105.1 | 150.4 | -85 | -169.3 | 0 | 0 | 0 | 111.5 | | |
| 310 | T | 27.2 | Very low | 27.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | trans | 11.2 | 137.3 | 149 | 31.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 311 | D | 26.8 | Very low | 27.8 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | 62.8 | 108.1 | 133.7 | -53.1 | -16.8 | 0 | 0 | 0 | 122.7 | | |
| 312 | S | 25.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | | -151.2 | 151.9 | 124.4 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 313 | C | 27.2 | Very low | 27.6 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -93.5 | 145.9 | -170.4 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 314 | Q | 25.5 | Very low | 27.4 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | 25.3 | 154.3 | 132.6 | -56.9 | -64.9 | -3 | 0 | 0 | 121.1 | | |
| 315 | P | 38.7 | Very low | 27.8 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | | | cis | -135.4 | -145.5 | -22.9 | 38.7 | -18.6 | 0 | 0 | 0 | 112 | | |
| 316 | Y | 21.9 | Very low | 28 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | 73.7 | 142.1 | -174.8 | -65.7 | -89.3 | 0 | 0 | 0 | 114.7 | | |
| 317 | R | 24.1 | Very low | 28.5 | Very low | 232 Ų | 232 | 157.5 Ų | 157.5 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | cis | -145.7 | 154.7 | 32 | -158.3 | -178.7 | -163.4 | -149.6 | 3.9 | 112.9 | | |
| 318 | S | 24.5 | Very low | 28.4 | Very low | 87 Ų | 87 | 154.7 Ų | 154.7 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | | | trans | -70.1 | 152.4 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 319 | A | 29.2 | Very low | 28.2 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | trans | -133 | 81.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y321 | A319-Y321 PolarHBondContact O-N 2.93Š|
| 320 | F | 25.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -66.8 | 120.2 | 170.2 | -79.3 | -95 | 0 | 0 | 0 | 109.8 | V322 | F320-V322 PolarHBondContact O-N 3.4Š|
| 321 | Y | 27.5 | Very low | 28.3 | Very low | 224 Ų | 224 | 148.4 Ų | 148.4 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | -85.4 | 100.4 | 162 | -93.2 | -78.7 | 0 | 0 | 0 | 109.4 | A319 L323 | A319-Y321 PolarHBondContact O-N 2.93Å; Y321-L323 PolarHBondContact O-N 2.92Å |
| 322 | V | 27.5 | Very low | 28.5 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | | | trans | -73.7 | 105.4 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | F320 E324 | F320-V322 PolarHBondContact O-N 3.4Å; V322-E324 VanDerWaalsContact C-N 3.26Å; V322-E324 HydrophobicContact CG1-CB 4.3Å; V322-E324 PolarHBondContact O-N 2.94Å; V322-E324 VanDerWaalsContact O-N 3.11Å |
| 323 | L | 28.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | -82.3 | 74.8 | 166.9 | -84.2 | 172.6 | 0 | 0 | 0 | 110 | Y321 Q325 | Y321-L323 PolarHBondContact O-N 2.92Å; L323-Q325 PolarHBondContact O-N 3.06Å |
| 324 | E | 30 | Very low | 28.9 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -63.4 | 121.1 | 168.6 | -171.2 | 178.8 | 179.9 | 0 | 0 | 109.4 | V322 Q326 | V322-E324 VanDerWaalsContact C-N 3.26Å; V322-E324 HydrophobicContact CG1-CB 4.3Å; V322-E324 PolarHBondContact O-N 2.94Å; V322-E324 VanDerWaalsContact O-N 3.11Å; E324-Q326 PolarHBondContact O-N 3.12Å |
| 325 | Q | 35.7 | Very low | 29.3 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | | | trans | -74.3 | 69.4 | 176.7 | -76.6 | -163.9 | 29.6 | 0 | 0 | 111.5 | L323 R327 | L323-Q325 PolarHBondContact O-N 3.06Å; Q325-R327 PolarHBondContact O-N 2.99Å |
| 326 | Q | 29.5 | Very low | 29.2 | Very low | 143 Ų | 143 | 154.5 Ų | 154.5 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | 97.3 | 176.5 | -160.4 | 161 | 96 | 0 | 0 | 110.3 | E324 V328 | E324-Q326 PolarHBondContact O-N 3.12Å; Q326-V328 PolarHBondContact O-N 2.89Å |
| 327 | R | 32.3 | Very low | 29.8 | Very low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 91.1 | 175.5 | -72.4 | 179.2 | 167.8 | -132.9 | 0.2 | 111.3 | Q325 G329 | Q325-R327 PolarHBondContact O-N 2.99Å; R327-G329 PolarHBondContact O-N 3.16Å |
| 328 | V | 28.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | -88.6 | 95 | 163.1 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | Q326 L330 | Q326-V328 PolarHBondContact O-N 2.89Å; V328-L330 PolarHBondContact O-N 3.19Å |
| 329 | G | 28.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 107.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | R327 | R327-G329 PolarHBondContact O-N 3.16Š|
| 330 | L | 29.9 | Very low | 31 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -77.5 | 125.9 | 162.6 | -75.7 | 171 | 0 | 0 | 0 | 108.5 | V328 | V328-L330 PolarHBondContact O-N 3.19Š|
| 331 | A | 27.7 | Very low | 31.3 | Very low | 82 Ų | 82 | 157.1 Ų | 157.1 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -67.5 | 143.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 332 | V | 30.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -112.9 | 105.2 | 158.1 | 177 | 0 | 0 | 0 | 0 | 104.8 | | |
| 333 | D | 27.9 | Very low | 31.8 | Very low | 136 Ų | 136 | 156.7 Ų | 156.7 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -66.6 | 135.8 | 179.2 | -66.9 | -56.4 | 0 | 0 | 0 | 110.1 | | |
| 334 | M | 33.4 | Very low | 32.3 | Very low | 175 Ų | 175 | 156.9 Ų | 156.9 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | | | trans | -94.8 | 91.5 | 175.8 | -75.5 | 174.6 | 47.3 | 0 | 0 | 109.2 | E336 | M334-E336 PolarHBondContact O-N 3.11Š|
| 335 | D | 33.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -66.9 | 115.1 | 170.7 | -77.7 | -36.7 | 0 | 0 | 0 | 110.3 | | |
| 336 | E | 36.4 | Very low | 32.2 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -73.2 | 136.7 | 174.9 | -68.4 | -168.4 | 116 | 0 | 0 | 111.2 | M334 E338 | M334-E336 PolarHBondContact O-N 3.11Å; E336-E338 PolarHBondContact O-N 2.89Å |
| 337 | I | 34.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 157.1 Ų | 157.1 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | | | trans | -79.8 | 91 | 179.9 | -56 | 174.2 | 0 | 0 | 0 | 110 | | |
| 338 | E | 34.3 | Very low | 32.1 | Very low | 156 Ų | 156 | 153 Ų | 153 | 73% | 0.729 | 79% | 0.794 | S | S | * | * | | | trans | -68.5 | 127.3 | 161.5 | -81.3 | -144.5 | 114.7 | 0 | 0 | 110.6 | E336 Y340 | E336-E338 PolarHBondContact O-N 2.89Å; E338-Y340 HydrophobicContact CB-CE2 4.47Å |
| 339 | K | 36.3 | Very low | 32.9 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -97.2 | 114.8 | 173 | -72 | -175 | 176.3 | -174.7 | 0 | 110.7 | | |
| 340 | Y | 30.8 | Very low | 32.9 | Very low | 189 Ų | 189 | 154 Ų | 154 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -127.2 | 164.6 | 158.4 | -71.4 | -73.2 | 0 | 0 | 0 | 111.6 | E338 | E338-Y340 HydrophobicContact CB-CE2 4.47Š|
| 341 | Q | 32.7 | Very low | 32.8 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -98 | 151.3 | -152.3 | -61.9 | 163.2 | -69 | 0 | 0 | 112.7 | V343 | Q341-V343 PolarHBondContact O-N 3.36Š|
| 342 | E | 32.3 | Very low | 33.5 | Very low | 196 Ų | 196 | 153.5 Ų | 153.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -63.3 | 128.4 | 159.9 | -65.8 | 176.5 | 122.2 | 0 | 0 | 110.3 | | |
| 343 | V | 33.7 | Very low | 33.4 | Very low | 139 Ų | 139 | 157.4 Ų | 157.4 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | | | trans | -139 | 139.8 | 154.4 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | Q341 | Q341-V343 PolarHBondContact O-N 3.36Š|
| 344 | E | 38.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -76.5 | 174 | -170.5 | -61.7 | 179.8 | 105.9 | 0 | 0 | 114.9 | | |
| 345 | E | 32.4 | Very low | 33 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | 76.1 | 102.9 | 147.8 | -85.7 | -175.4 | 169.2 | 0 | 0 | 120.2 | | |
| 346 | D | 31.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 157.4 Ų | 157.4 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | | | | 112.1 | 124.5 | 109.8 | -132.4 | 29.9 | 0 | 0 | 0 | 120.5 | | |
| 347 | Q | 30.5 | Very low | 32.8 | Very low | 166 Ų | 166 | 154.5 Ų | 154.5 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | 80.7 | 111.6 | 156.2 | -39.6 | -153.9 | 16.6 | 0 | 0 | 122.2 | | |
| 348 | D | 27.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -41.8 | 165.5 | 140.6 | -115.6 | -25.4 | 0 | 0 | 0 | 113.3 | | |
| 349 | P | 45.6 | Very low | 32.4 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -142.9 | -174.8 | 9.4 | 38.6 | -17.2 | 0 | 0 | 0 | 117.4 | | |
| 350 | S | 28.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 88.5 | 108.8 | 150.4 | -49.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 351 | C | 29 | Very low | 32.6 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | -61.1 | 157.3 | 151.2 | -46.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 352 | P | 41.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | | | | -155.5 | 143.6 | 89.3 | 38.9 | -19.6 | 0 | 0 | 0 | 118.7 | | |
| 353 | R | 28.3 | Very low | 32.7 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 82% | 0.823 | 75% | 0.747 | S | S | * | * | | | trans | 58 | 126.1 | 130.9 | -70.2 | -176.7 | 166.9 | -165.5 | -5.5 | 123.3 | | |
| 354 | L | 25.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | | | trans | 66.7 | 158 | 137.7 | -56.9 | 169.4 | 0 | 0 | 0 | 116.5 | | |
| 355 | S | 28.6 | Very low | 33 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | cis | -155.4 | 140.8 | -5.2 | 24.7 | 0 | 0 | 0 | 0 | 106.1 | | |
| 356 | R | 31.4 | Very low | 32.8 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | | | | 73.8 | 142.1 | 67.7 | -161.2 | -174.7 | 155.3 | 122.8 | 13.4 | 113.9 | | |
| 357 | E | 33.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 58% | 0.575 | 74% | 0.74 | S | S | * | * | | | trans | 74.3 | 123.2 | -176.3 | -87.7 | 77.3 | -129.3 | 0 | 0 | 115.9 | | |
| 358 | L | 30.2 | Very low | 32.9 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | | 71.8 | 143.1 | 70.1 | -60.8 | -170.7 | 0 | 0 | 0 | 112.7 | | |
| 359 | L | 32.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 142 Ų | 142 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | | | cis | -163.3 | 173.1 | -5.4 | -116.3 | 171.8 | 0 | 0 | 0 | 111.3 | | |
| 360 | D | 34.2 | Very low | 32.3 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | 71.7 | 131.3 | 140.3 | -79.2 | -33.6 | 0 | 0 | 0 | 127.4 | | |
| 361 | E | 36 | Very low | 32.5 | Very low | 142 Ų | 142 | 145 Ų | 145 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | | 93.2 | 135.8 | 126.2 | -80.9 | -155.2 | 141 | 0 | 0 | 127.3 | | |
| 362 | K | 33.3 | Very low | 32.5 | Very low | 156 Ų | 156 | 144 Ų | 144 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | 72.2 | 110.2 | 146.4 | -73.9 | 175.9 | 168 | 81.3 | 0 | 122.1 | | |
| 363 | E | 34.1 | Very low | 31.9 | Very low | 176 Ų | 176 | 147.7 Ų | 147.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | | 20.3 | 152.4 | 114.3 | -84.2 | -173.6 | 136 | 0 | 0 | 120.6 | | |
| 364 | P | 44.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | cis | -155.6 | 169.8 | 48.8 | 43.4 | -22 | 0 | 0 | 0 | 121.5 | | |
| 365 | E | 34.3 | Very low | 31.9 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | 65.3 | 157.4 | 137.3 | -76.3 | -177.7 | 139.6 | 0 | 0 | 126.5 | | |
| 366 | V | 27.9 | Very low | 31.9 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | | | trans | 91.7 | 109.1 | 156.9 | -154.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 367 | L | 31 | Very low | 32.2 | Very low | 144 Ų | 144 | 141 Ų | 141 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | -22 | 164.8 | 150.1 | -50.9 | 170 | 0 | 0 | 0 | 118.2 | | |
| 368 | Q | 33.7 | Very low | 32.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | | | cis | -170.2 | 170.8 | 26.4 | -145.1 | 160.8 | 9.3 | 0 | 0 | 112.7 | | |
| 369 | D | 31 | Very low | 32.5 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | 61.8 | 137.9 | 162.5 | -80.8 | 16.8 | 0 | 0 | 0 | 119.9 | | |
| 370 | S | 29.6 | Very low | 32.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | cis | -163.4 | 178.5 | 31.7 | 41.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 371 | L | 32.1 | Very low | 32 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | | | trans | -53.3 | 169.1 | -175.4 | -59 | 163.6 | 0 | 0 | 0 | 116.3 | | |
| 372 | D | 29.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 54% | 0.54 | 74% | 0.743 | S | S | . | * | | | cis | -168.9 | 159.1 | 34.8 | -158.4 | -4.8 | 0 | 0 | 0 | 115.6 | | |
| 373 | R | 28.1 | Very low | 31.9 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | 55.7 | 120.7 | 147.3 | -108.4 | 177.9 | -72.7 | -174.6 | -1.9 | 124.5 | | |
| 374 | C | 27.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 138 Ų | 138 | 68% | 0.676 | 75% | 0.749 | S | S | * | * | | | | 158.7 | 111.6 | 99.6 | -92.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 375 | Y | 28 | Very low | 32.1 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | trans | 55.6 | 102.6 | 141.4 | -59.9 | -69 | 0 | 0 | 0 | 125.4 | | |
| 376 | S | 28.2 | Very low | 31.9 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | | 78 | 118.9 | 112.6 | -60.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 377 | T | 37.7 | Very low | 31.8 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | | | trans | -78.2 | 179.2 | 155.1 | -24.4 | 0 | 0 | 0 | 0 | 112 | | |
| 378 | P | 40.5 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | | -154 | 160.9 | 94.1 | 39.9 | -21.6 | 0 | 0 | 0 | 119 | | |
| 379 | S | 29.7 | Very low | 31.7 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | 70 | 142.4 | 153.8 | -150.8 | 0 | 0 | 0 | 0 | 121 | | |
| 380 | G | 27.5 | Very low | 31.9 | Very low | 60 Ų | 60 | 136 Ų | 136 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | | | cis | 163.9 | 156.2 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 381 | Y | 28.6 | Very low | 31.6 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | 57 | 128.9 | 158.2 | -79.5 | -110.4 | 0 | 0 | 0 | 120.5 | | |
| 382 | L | 32 | Very low | 31.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 67% | 0.665 | 76% | 0.764 | S | S | * | * | | | | 73.1 | 143 | 75.9 | -106.8 | 81.5 | 0 | 0 | 0 | 114.1 | | |
| 383 | E | 34.4 | Very low | 31.2 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | cis | -157.4 | -174 | -5 | -153.6 | 157.3 | -139.4 | 0 | 0 | 111 | | |
| 384 | L | 39.9 | Very low | 31.3 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -90.6 | 169.2 | 176 | -70.8 | 169.4 | 0 | 0 | 0 | 113.1 | | |
| 385 | P | 42.2 | Very low | 31.2 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | | -146.8 | -178.2 | 123.1 | 39.5 | -24 | 0 | 0 | 0 | 116.7 | | |
| 386 | D | 29.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -76.6 | 170.2 | -164.8 | -75.8 | -61.6 | 0 | 0 | 0 | 120.6 | | |
| 387 | L | 27.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | 69.2 | 134.2 | 144.8 | -106.6 | 68.7 | 0 | 0 | 0 | 121.7 | | |
| 388 | G | 27.4 | Very low | 31.2 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 140.7 | 91.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 389 | Q | 34.1 | Very low | 30.9 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -78 | 148.5 | 155.2 | -78.8 | -77.7 | -12 | 0 | 0 | 108.4 | | |
| 390 | P | 36.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 142 Ų | 142 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | | -157.6 | 163.1 | 71.9 | 42.5 | -21.9 | 0 | 0 | 0 | 120 | | |
| 391 | Y | 23.1 | Very low | 31.5 | Very low | 213 Ų | 213 | 147 Ų | 147 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 74.3 | 153.9 | 140.9 | -106.4 | -96.3 | 0 | 0 | 0 | 124.6 | | |
| 392 | S | 25.1 | Very low | 31.7 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | 88.5 | 150.7 | 160.4 | 78.3 | 0 | 0 | 0 | 0 | 119 | | |
| 393 | S | 27.7 | Very low | 31.7 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -128.5 | 150.3 | -155.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 394 | A | 29.1 | Very low | 31.4 | Very low | 83 Ų | 83 | 146 Ų | 146 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | | | trans | -159.2 | 79 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y396 | A394-Y396 PolarHBondContact O-N 3.21Š|
| 395 | V | 26.6 | Very low | 31.1 | Very low | 147 Ų | 147 | 147 Ų | 147 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | -81.7 | 105.4 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 396 | Y | 27.8 | Very low | 30.5 | Very low | 213 Ų | 213 | 145.1 Ų | 145.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -82.5 | 139.9 | 171.1 | -94.9 | -91.3 | 0 | 0 | 0 | 111 | A394 L398 | A394-Y396 PolarHBondContact O-N 3.21Å; Y396-L398 PolarHBondContact O-N 2.92Å |
| 397 | S | 32.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -56.1 | 132.2 | 178.8 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 398 | L | 33.3 | Very low | 31 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | | | trans | -109.7 | 102.3 | 167 | -167.3 | 75 | 0 | 0 | 0 | 109.7 | Y396 E400 | Y396-L398 PolarHBondContact O-N 2.92Å; L398-E400 PolarHBondContact O-N 2.84Å |
| 399 | E | 35.1 | Very low | 31.3 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -76.4 | 115.1 | 166.2 | -66.2 | 177 | 109.2 | 0 | 0 | 109.1 | Q401 | E399-Q401 PolarHBondContact O-N 3.29Š|
| 400 | E | 36.2 | Very low | 31.1 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -71.7 | 92.7 | 177.4 | -71.1 | -160 | 137.7 | 0 | 0 | 111.8 | L398 Y402 | L398-E400 PolarHBondContact O-N 2.84Å; E400-Y402 PolarHBondContact O-N 2.89Å; E400-Y402 VanDerWaalsContact O-N 3.11Å |
| 401 | Q | 33.6 | Very low | 31 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -72.7 | 100 | 174.5 | -64.6 | -176.3 | 7.5 | 0 | 0 | 111 | E399 L403 | E399-Q401 PolarHBondContact O-N 3.29Å; Q401-L403 PolarHBondContact O-N 3.04Å; Q401-L403 VanDerWaalsContact O-N 3.14Å |
| 402 | Y | 31.6 | Very low | 31.6 | Very low | 222 Ų | 222 | 151 Ų | 151 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | | | trans | -60.4 | 112.4 | 171.4 | -97.2 | -105.6 | 0 | 0 | 0 | 111.6 | E400 | E400-Y402 PolarHBondContact O-N 2.89Å; E400-Y402 VanDerWaalsContact O-N 3.11Å |
| 403 | L | 31.6 | Very low | 32.2 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -144.6 | 100 | 172.4 | -126.9 | 164.5 | 0 | 0 | 0 | 110.1 | Q401 | Q401-L403 PolarHBondContact O-N 3.04Å; Q401-L403 VanDerWaalsContact O-N 3.14Å |
| 404 | G | 28.1 | Very low | 32.6 | Very low | 70 Ų | 70 | 155.6 Ų | 155.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -77.4 | 157 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 405 | L | 33.5 | Very low | 32.6 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | | | trans | -113.9 | 114.8 | 168.1 | -68.4 | 176.4 | 0 | 0 | 0 | 109.6 | | |
| 406 | A | 30.1 | Very low | 32.8 | Very low | 90 Ų | 90 | 156.7 Ų | 156.7 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -93.1 | 142.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 407 | L | 34.4 | Very low | 33 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | -133.5 | 106.5 | 166.8 | -71.7 | 177.3 | 0 | 0 | 0 | 109.3 | | |
| 408 | D | 33.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -73.8 | 125.3 | 168.2 | -68.6 | -61 | 0 | 0 | 0 | 110.2 | | |
| 409 | V | 33.3 | Very low | 33 | Very low | 129 Ų | 129 | 158 Ų | 158 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | -140 | 102.8 | 155.8 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 410 | D | 30.6 | Very low | 32.8 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | 44.2 | 132.1 | 149 | -62.4 | -37.4 | 0 | 0 | 0 | 123.6 | | |
| 411 | R | 34.2 | Very low | 32.7 | Very low | 247 Ų | 247 | 157.2 Ų | 157.2 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -70.9 | 142.7 | 159.9 | -67 | 169.5 | 163.5 | -175.6 | -6.4 | 111.2 | | |
| 412 | I | 35.8 | Very low | 32.4 | Very low | 164 Ų | 164 | 156.1 Ų | 156.1 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -127.4 | 141.5 | 149.2 | -62.6 | -177.5 | 0 | 0 | 0 | 108.8 | | |
| 413 | K | 38.3 | Very low | 32.7 | Very low | 169 Ų | 169 | 153 Ų | 153 | 74% | 0.735 | 78% | 0.782 | S | S | * | * | | | trans | -109.6 | 137.1 | 169 | -83.8 | -175.8 | 151 | -131.5 | 0 | 109.7 | | |
| 414 | K | 34.1 | Very low | 33.3 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | trans | -155 | 137.7 | 139.8 | -81.2 | -154.8 | 154.7 | -136.6 | 0 | 106.2 | E416 | K414-E416 IonicContact NZ-OE1 3.32Å; K414-E416 IonicContact NZ-OE2 3.57Å; K414-E416 PolarHBondContact NZ-OE2 3.11Å |
| 415 | D | 29.7 | Very low | 34 | Very low | 110 Ų | 110 | 153 Ų | 153 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | | | cis | 80.2 | 143.1 | 29.3 | -48 | -43.2 | 0 | 0 | 0 | 113.1 | | |
| 416 | E | 30.9 | Very low | 34.1 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 67% | 0.668 | 78% | 0.775 | S | S | * | * | | | trans | 75.8 | 119.3 | -171.5 | -62.8 | 136.3 | -163.5 | 0 | 0 | 113.5 | K414 | K414-E416 IonicContact NZ-OE1 3.32Å; K414-E416 IonicContact NZ-OE2 3.57Å; K414-E416 PolarHBondContact NZ-OE2 3.11Å |
| 417 | E | 31.4 | Very low | 34.5 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | | 86.4 | 139.3 | 54.9 | -75.6 | 170.7 | -173.5 | 0 | 0 | 112.5 | | |
| 418 | E | 32 | Very low | 34.2 | Very low | 167 Ų | 167 | 155.9 Ų | 155.9 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | cis | -158.8 | -170.4 | -1.8 | -145.8 | 172.1 | -166.5 | 0 | 0 | 111.3 | | |
| 419 | E | 33.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | trans | 61.8 | 130.4 | 171.7 | -53.6 | -155.1 | 154.7 | 0 | 0 | 118.9 | | |
| 420 | E | 31.7 | Very low | 33.7 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | cis | 107.4 | 160.9 | 20.7 | -164.4 | 159.2 | -135.6 | 0 | 0 | 113.9 | | |
| 421 | D | 33.1 | Very low | 33.9 | Very low | 133 Ų | 133 | 159.2 Ų | 159.2 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 69.2 | 135.4 | 179.5 | -75.8 | 1.7 | 0 | 0 | 0 | 119.4 | | |
| 422 | Q | 28.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 156 Ų | 156 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | cis | -155.7 | 147.4 | -24.4 | -91.7 | -50.1 | -36.6 | 0 | 0 | 109.2 | | |
| 423 | D | 37.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -108.9 | 133.6 | 162.2 | -110.8 | -29.2 | 0 | 0 | 0 | 108.9 | | |
| 424 | P | 44.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -154.9 | 175.4 | 134.9 | 39.6 | -22.8 | 0 | 0 | 0 | 115.2 | | |
| 425 | P | 41.6 | Very low | 33 | Very low | 116 Ų | 116 | 157 Ų | 157 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | | -137 | 167.4 | -51.7 | 39.9 | -24.4 | 0 | 0 | 0 | 113.2 | | |
| 426 | C | 35 | Very low | 33 | Very low | 127 Ų | 127 | 158 Ų | 158 | 86% | 0.858 | 80% | 0.804 | S | S | * | * | | | trans | -88.8 | 144.9 | 170.1 | -65 | 0 | 0 | 0 | 0 | 113.2 | | |
| 427 | P | 38.3 | Very low | 33 | Very low | 131 Ų | 131 | 157.7 Ų | 157.7 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -104.6 | 129.4 | 160.7 | 34.4 | -27.3 | 0 | 0 | 0 | 113 | | |
| 428 | R | 30.1 | Very low | 33.3 | Very low | 242 Ų | 242 | 157.4 Ų | 157.4 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | | | trans | -108.4 | 149.8 | 165.7 | -74.6 | 173.9 | 159.9 | 172.7 | -5.9 | 109.5 | | |
| 429 | L | 27.4 | Very low | 33.8 | Very low | 170 Ų | 170 | 155 Ų | 155 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -154.4 | 145.7 | 148.9 | -88.1 | -164.4 | 0 | 0 | 0 | 114.2 | | |
| 430 | S | 29.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | trans | 8.9 | 142 | 157.9 | 50.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 431 | R | 33.1 | Very low | 33.8 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | cis | 89.9 | 91.7 | 27 | -168.3 | -164.4 | -171 | -176.5 | 5.2 | 116.1 | | |
| 432 | E | 29.1 | Very low | 33.9 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -148.3 | 125.7 | 154.3 | -89.7 | 176.2 | 145.2 | 0 | 0 | 106.1 | | |
| 433 | L | 30.9 | Very low | 34 | Very low | 163 Ų | 163 | 155.9 Ų | 155.9 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | | 74.8 | 102.4 | 74.1 | -76.5 | 179.6 | 0 | 0 | 0 | 115.4 | | |
| 434 | L | 33.3 | Very low | 33.6 | Very low | 181 Ų | 181 | 155.5 Ų | 155.5 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | | | trans | -145.5 | 156.2 | 138.3 | -155.1 | 68.3 | 0 | 0 | 0 | 109.4 | | |
| 435 | E | 32 | Very low | 33 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -127.8 | -171.6 | -168 | -170.6 | 174.4 | -168.8 | 0 | 0 | 109 | | |
| 436 | V | 29.6 | Very low | 32.5 | Very low | 133 Ų | 133 | 158.3 Ų | 158.3 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | | | trans | 77.9 | 123 | 167.2 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 437 | V | 29.1 | Very low | 32.3 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | cis | -157.3 | 158.8 | 0.4 | 86.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 438 | E | 39.1 | Very low | 31.8 | Very low | 168 Ų | 168 | 161.1 Ų | 161.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -85.6 | 169.2 | 170.2 | -61.7 | -175 | 128.4 | 0 | 0 | 112.8 | | |
| 439 | P | 42.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | | -144.3 | 132.1 | 105.3 | 35.5 | -20.6 | 0 | 0 | 0 | 117.1 | | |
| 440 | E | 31 | Very low | 31.8 | Very low | 174 Ų | 174 | 157.6 Ų | 157.6 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | 35.1 | 115.9 | 132.8 | -55.4 | -176.8 | 148.6 | 0 | 0 | 121.5 | | |
| 441 | V | 34 | Very low | 31.7 | Very low | 136 Ų | 136 | 158.2 Ų | 158.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | | | trans | -144.5 | 109.2 | 136.8 | -173.8 | 0 | 0 | 0 | 0 | 112 | | |
| 442 | L | 36.3 | Very low | 31.7 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | 40.5 | 95.8 | 150.2 | -57.4 | 175.1 | 0 | 0 | 0 | 122.2 | | |
| 443 | Q | 30.8 | Very low | 31.6 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | | 31 | 125.8 | 119.6 | -70.2 | -178.6 | -41 | 0 | 0 | 123.2 | | |
| 444 | D | 28.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | | 37.2 | 106.1 | 126.7 | -61.4 | -17.5 | 0 | 0 | 0 | 121.6 | | |
| 445 | S | 31.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | | 171.4 | 152.1 | 127.8 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 446 | L | 31.1 | Very low | 31 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | cis | -125.7 | 165.7 | 14.2 | -77.4 | 166.1 | 0 | 0 | 0 | 112.9 | | |
| 447 | D | 31.6 | Very low | 31 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | | | trans | -102.8 | 155.6 | 175.1 | 177.8 | 26.3 | 0 | 0 | 0 | 111.7 | | |
| 448 | R | 28.2 | Very low | 31 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | 84.3 | 157.7 | 146.9 | -127.4 | 175.6 | -70.7 | -178.8 | -0.9 | 123 | | |
| 449 | C | 28.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | 83.4 | 85.9 | 153.4 | -69.1 | 0 | 0 | 0 | 0 | 120 | | |
| 450 | Y | 28.7 | Very low | 30.5 | Very low | 230 Ų | 230 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -55.1 | 129.8 | 133.3 | -75.7 | -103.5 | 0 | 0 | 0 | 110.4 | | |
| 451 | S | 27.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 170.8 | 127 | 124.6 | -75.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 452 | T | 32.8 | Very low | 29.9 | Very low | 129 Ų | 129 | 142 Ų | 142 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | 12.3 | 129.2 | 144.2 | -36.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 453 | P | 27.6 | Very low | 29.5 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | | | trans | -101.7 | 155.3 | 142.9 | 35.9 | -30 | 0 | 0 | 0 | 112.1 | | |
| 454 | S | 26.2 | Very low | 29.6 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -119.7 | 146.9 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 455 | S | 29.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 39 | 109.6 | 146.7 | 62.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 456 | C | 26.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | | | trans | -149.6 | 124.4 | 131.4 | -80.4 | 0 | 0 | 0 | 0 | 105 | | |
| 457 | L | 30.3 | Very low | 29.2 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | cis | 78.9 | 87.8 | 30 | -145.5 | -172.4 | 0 | 0 | 0 | 113.9 | | |
| 458 | E | 29 | Very low | 29.1 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | -148.1 | 144.8 | 152.5 | -120 | 170.2 | -159.3 | 0 | 0 | 108.8 | | |
| 459 | Q | 35.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -114.7 | 158.2 | 174.1 | -64.8 | -179.7 | -102.5 | 0 | 0 | 108.7 | | |
| 460 | P | 35.3 | Very low | 29.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | | -145.7 | 143.9 | 106.7 | 35.5 | -20 | 0 | 0 | 0 | 116.7 | | |
| 461 | D | 26.2 | Very low | 29.4 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 41.7 | 123.9 | 131 | -50.6 | -28 | 0 | 0 | 0 | 123.7 | | |
| 462 | S | 26.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 60.1 | 139.6 | 138.8 | 74.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 463 | C | 29.1 | Very low | 29.6 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | cis | -136.6 | 169.1 | 30.1 | -71.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 464 | Q | 33.3 | Very low | 30 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | trans | -84.1 | 175.5 | 165.9 | -60.8 | -170.4 | -18.7 | 0 | 0 | 111.4 | | |
| 465 | P | 31.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | | -124.8 | 135.4 | 88.2 | 0.2 | 21 | 0 | 0 | 0 | 115.9 | | |
| 466 | Y | 23 | Very low | 30.5 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | -63.1 | 154.9 | 143.1 | -106.7 | -124.5 | 0 | 0 | 0 | 109.1 | | |
| 467 | G | 27 | Very low | 30.8 | Very low | 56 Ų | 56 | 144.8 Ų | 144.8 | 58% | 0.577 | 77% | 0.771 | S | S | * | * | | | cis | 152.7 | -179.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 468 | S | 29.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 72.4 | 160.2 | 176.2 | 85.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 469 | S | 30.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | | | cis | -148.2 | 137.7 | 18 | 78.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 470 | F | 30.3 | Very low | 30.2 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | 65.7 | 129.7 | 155 | -60.3 | -64.4 | 0 | 0 | 0 | 122.8 | | |
| 471 | Y | 29.9 | Very low | 30 | Very low | 216 Ų | 216 | 139.6 Ų | 139.6 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | | | trans | -99.9 | 154.9 | 167.4 | -81.9 | -102.1 | 0 | 0 | 0 | 111.3 | | |
| 472 | A | 30 | Very low | 30.2 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -147.2 | 92 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 473 | L | 35.3 | Very low | 30.3 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -121.7 | 129.3 | 170.2 | -79.1 | 172.1 | 0 | 0 | 0 | 109.2 | | |
| 474 | E | 35.7 | Very low | 30.4 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -111.5 | 64.8 | -173.4 | -161.7 | -166.8 | -149.2 | 0 | 0 | 112 | K476 | E474-K476 IonicContact OE1-NZ 2.73Å; E474-K476 IonicContact OE2-NZ 3.62Å; E474-K476 PolarHBondContact OE2-NZ 3.1Å |
| 475 | E | 34.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -79.8 | 120.7 | 176.4 | -173.6 | 163.7 | -160 | 0 | 0 | 111.8 | H477 | E475-H477 PolarHBondContact O-N 2.88Š|
| 476 | K | 32.4 | Very low | 30.2 | Very low | 147 Ų | 147 | 143 Ų | 143 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | -97.7 | 80.7 | -171.2 | -65 | -171 | -179.7 | 68.7 | 0 | 112.9 | E474 V478 | E474-K476 IonicContact OE1-NZ 2.73Å; E474-K476 IonicContact OE2-NZ 3.62Å; E474-K476 PolarHBondContact OE2-NZ 3.1Å; K476-V478 PolarHBondContact O-N 3.31Å |
| 477 | H | 31.5 | Very low | 30.9 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -68.5 | 119.1 | 167.1 | -79.1 | -71.6 | 0 | 0 | 0 | 112 | E475 G479 | E475-H477 PolarHBondContact O-N 2.88Å; H477-G479 PolarHBondContact O-N 2.98Å |
| 478 | V | 28.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -94.3 | 92.6 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | K476 F480 | K476-V478 PolarHBondContact O-N 3.31Å; V478-F480 HydrophobicContact CG1-CD2 4.08Å; V478-F480 HydrophobicContact CG1-CE2 4.01Å |
| 479 | G | 27.1 | Very low | 31.5 | Very low | 71 Ų | 71 | 145.7 Ų | 145.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -111.9 | 109.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H477 | H477-G479 PolarHBondContact O-N 2.98Š|
| 480 | F | 27.4 | Very low | 31.6 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 87% | 0.873 | 78% | 0.777 | S | S | * | * | | | trans | -89.4 | 109.8 | 172.6 | -86.3 | -87.8 | 0 | 0 | 0 | 110.9 | V478 | V478-F480 HydrophobicContact CG1-CD2 4.08Å; V478-F480 HydrophobicContact CG1-CE2 4.01Å |
| 481 | S | 30.4 | Very low | 31.8 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -94 | 137.3 | 163.1 | -67 | 0 | 0 | 0 | 0 | 110.5 | | |
| 482 | L | 29.5 | Very low | 31.9 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | | | trans | -89.5 | 152.7 | 170.5 | -73.3 | 165.5 | 0 | 0 | 0 | 109.9 | | |
| 483 | D | 29.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | -140.4 | 165.9 | 157.7 | -147.9 | -12.4 | 0 | 0 | 0 | 111.6 | | |
| 484 | V | 30.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -126.4 | 146.1 | -165.7 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 485 | G | 30.5 | Very low | 32.2 | Very low | 58 Ų | 58 | 147.4 Ų | 147.4 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | | | cis | 172.9 | -163.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 486 | E | 30.3 | Very low | 32 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | 67 | 163.4 | 179.4 | -47.1 | -149.2 | 137.1 | 0 | 0 | 114.5 | | |
| 487 | I | 37.8 | Very low | 32 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | | | cis | -131.8 | 140.3 | 15 | -55.6 | 165.8 | 0 | 0 | 0 | 112.8 | | |
| 488 | E | 32.6 | Very low | 32 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 52% | 0.519 | 80% | 0.803 | S | S | . | * | | | trans | -6.8 | 133.7 | 161.8 | -151 | -145.4 | -159.7 | 0 | 0 | 121.5 | K490 | E488-K490 WeakPolarHBondContact OE1-CE 3.48Å; E488-K490 IonicContact OE1-NZ 3.55Å; E488-K490 PolarHBondContact OE1-NZ 3.42Å; E488-K490 IonicContact OE2-NZ 3.25Å; E488-K490 PolarHBondContact OE2-NZ 2.92Å |
| 489 | K | 37.3 | Very low | 32.2 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | | | | -173.7 | 103.8 | 117.5 | -95.8 | 144 | -159.2 | 154.3 | 0 | 117.6 | | |
| 490 | K | 33.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 161 Ų | 161 | 73% | 0.726 | 81% | 0.811 | S | S | * | * | | | trans | 43.5 | 103.1 | 131.5 | -61.9 | 170.8 | 173.9 | 106.1 | 0 | 119.9 | E488 | E488-K490 WeakPolarHBondContact OE1-CE 3.48Å; E488-K490 IonicContact OE1-NZ 3.55Å; E488-K490 PolarHBondContact OE1-NZ 3.42Å; E488-K490 IonicContact OE2-NZ 3.25Å; E488-K490 PolarHBondContact OE2-NZ 2.92Å |
| 491 | G | 33.3 | Very low | 32.6 | Very low | 83 Ų | 83 | 155.9 Ų | 155.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -144.1 | 118.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 492 | K | 32.6 | Very low | 32.7 | Very low | 227 Ų | 227 | 159 Ų | 159 | 99% | 0.987 | 80% | 0.799 | S | S | * | * | | | trans | -89.7 | 134.5 | -176 | -58.7 | 167.7 | -175.3 | 168.4 | 0 | 112 | | |
| 493 | G | 34.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 159.5 Ų | 159.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -165 | 134.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 494 | K | 36 | Very low | 32.9 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | -132.1 | 157.3 | 177.3 | -73.3 | -177.6 | 178.6 | 176.4 | 0 | 111.3 | | |
| 495 | K | 36 | Very low | 33 | Very low | 197 Ų | 197 | 163.1 Ų | 163.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | 84.3 | 128.7 | 173 | -53.7 | 169.9 | -177.8 | 174 | 0 | 113.4 | | |
| 496 | R | 32.1 | Very low | 33.2 | Very low | 206 Ų | 206 | 171.9 Ų | 171.9 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | | | cis | 91.5 | 120.3 | 30.3 | -69.6 | -175.9 | 91.9 | -174 | 12.9 | 114.6 | | |
| 497 | R | 31.8 | Very low | 33.3 | Very low | 228 Ų | 228 | 175 Ų | 175 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | 69.8 | 154.9 | 161 | -63.5 | 175.6 | 171.6 | -177.8 | -3.8 | 115.6 | | |
| 498 | G | 31.6 | Very low | 33 | Very low | 75 Ų | 75 | 171.1 Ų | 171.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | cis | 178.5 | 165.7 | -4.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 499 | R | 33.1 | Very low | 33.2 | Very low | 220 Ų | 220 | 176.8 Ų | 176.8 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | trans | -57.4 | 146.3 | -174.8 | -68.4 | 173.6 | 168.1 | -177.5 | -5 | 116.8 | | |
| 500 | R | 30.3 | Very low | 33.1 | Very low | 221 Ų | 221 | 176.2 Ų | 176.2 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | 67.8 | 159.7 | 150.1 | -65.3 | 168 | 177.6 | -175.4 | -3.4 | 114.6 | | |
| 501 | S | 32.8 | Very low | 33 | Very low | 92 Ų | 92 | 174.8 Ų | 174.8 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | | | cis | -174.5 | 144.3 | 38.3 | -157 | 0 | 0 | 0 | 0 | 114.9 | | |
| 502 | K | 31.9 | Very low | 32.9 | Very low | 189 Ų | 189 | 174 Ų | 174 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | 64.5 | 159.5 | 145.8 | -76.8 | 178 | 175.2 | -174.5 | 0 | 122.4 | | |
| 503 | K | 32.2 | Very low | 33 | Very low | 181 Ų | 181 | 171.9 Ų | 171.9 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | | | trans | 78.9 | 147 | 163.8 | -55.8 | -158.3 | 74.8 | 179.2 | 0 | 117.2 | | |
| 504 | E | 31.4 | Very low | 32.9 | Very low | 151 Ų | 151 | 176.9 Ų | 176.9 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | cis | -158.4 | 161.2 | -26.3 | -176.2 | 161.3 | -171.7 | 0 | 0 | 111.1 | | |
| 505 | R | 32.7 | Very low | 32.7 | Very low | 222 Ų | 222 | 173 Ų | 173 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | | | trans | -51.3 | 141.6 | -177.9 | -62.7 | 163.6 | 158.7 | 178.7 | -8.5 | 117.3 | | |
| 506 | R | 34.5 | Very low | 32.5 | Very low | 243 Ų | 243 | 171 Ų | 171 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | | 171 | 122.2 | 129.9 | -90 | 152.6 | -172.2 | -147.8 | 1.7 | 106.6 | | |
| 507 | R | 31.9 | Very low | 32.6 | Very low | 255 Ų | 255 | 168.2 Ų | 168.2 | 96% | 0.962 | 78% | 0.784 | S | S | * | * | | | cis | 75.7 | 98.8 | 37.4 | -158.2 | -170.9 | -157.1 | -152.9 | 7.6 | 113.8 | | |
| 508 | G | 31.3 | Very low | 34.1 | Very low | 70 Ų | 70 | 162.8 Ų | 162.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 168.9 | 98.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 509 | R | 36.5 | Very low | 34.5 | Very low | 231 Ų | 231 | 165.1 Ų | 165.1 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 60.1 | 168.7 | 156.9 | -70.6 | -169.1 | 170.8 | -176.8 | -5.9 | 119.7 | | |
| 510 | K | 35.3 | Very low | 34.5 | Very low | 163 Ų | 163 | 160.1 Ų | 160.1 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | | | cis | 163.5 | 162.6 | -43.2 | -121.3 | -138.2 | -179 | -165.4 | 0 | 109 | | |
| 511 | E | 32.6 | Very low | 35.2 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | | | trans | 65.9 | 138.8 | 166.9 | -70.3 | 122.7 | -156.7 | 0 | 0 | 115.3 | | |
| 512 | G | 31 | Very low | 35.1 | Very low | 66 Ų | 66 | 162.2 Ų | 162.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | cis | -137.7 | 164.6 | -11.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 513 | E | 34 | Very low | 34.9 | Very low | 182 Ų | 182 | 160.9 Ų | 160.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | | 101.4 | 148.6 | 52.2 | -168.6 | 159 | -138.6 | 0 | 0 | 110.9 | | |
| 514 | E | 32 | Very low | 35.1 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | 66.5 | 144.6 | -177.2 | -75.1 | 173.5 | -170.2 | 0 | 0 | 117.3 | | |
| 515 | D | 31.6 | Very low | 35.3 | Very low | 122 Ų | 122 | 160 Ų | 160 | 65% | 0.652 | 79% | 0.789 | S | S | * | * | | | cis | -165.1 | 169 | -18.4 | -161.2 | 9.4 | 0 | 0 | 0 | 112 | | |
| 516 | Q | 32.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | 66.4 | 149.8 | 160.7 | -54.9 | -54.9 | -28.7 | 0 | 0 | 123.8 | | |
| 517 | N | 33.4 | Very low | 35.4 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -133.1 | 169.4 | 159.1 | -93.1 | -51.8 | 0 | 0 | 0 | 107.2 | | |
| 518 | P | 63 | Low | 35.3 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | | -109 | -168.9 | -53.5 | 39.6 | -25.6 | 0 | 0 | 0 | 110.1 | | |
| 519 | P | 40.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | | -158.6 | 176.3 | 94.6 | 41.3 | -21.4 | 0 | 0 | 0 | 117.5 | | |
| 520 | C | 31.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | | | trans | -72.1 | 179.4 | 162 | -37.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 521 | P | 45.6 | Very low | 35.1 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | | | cis | -154.2 | -177.1 | 38.5 | 43.8 | -22 | 0 | 0 | 0 | 118.5 | | |
| 522 | R | 30.8 | Very low | 34.9 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | | | | -176 | 169.4 | 122.7 | -101.5 | 170.4 | 177.8 | 170.2 | 0.7 | 114.2 | | |
| 523 | L | 28.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | | | trans | -137.4 | 150.5 | -160.4 | -69.1 | 168.9 | 0 | 0 | 0 | 114.9 | | |
| 524 | S | 34.8 | Very low | 36 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -154.3 | 135.3 | 151.4 | -74.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 525 | R | 36.3 | Very low | 35.9 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | 70.2 | 125.6 | 8.1 | -84.7 | -154.7 | 129.9 | -169.4 | -12.6 | 115.3 | | |
| 526 | E | 34.4 | Very low | 35.9 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | | | cis | -158.1 | 167.8 | -1.8 | -76.4 | -155.3 | 123.8 | 0 | 0 | 109.5 | | |
| 527 | L | 33.9 | Very low | 35.9 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | cis | -164.6 | 165.8 | -9.7 | -117.1 | 173.6 | 0 | 0 | 0 | 109.1 | | |
| 528 | L | 30.9 | Very low | 35.7 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | 172.9 | 144.8 | 121.3 | -92.1 | 168 | 0 | 0 | 0 | 113.9 | | |
| 529 | D | 31.3 | Very low | 34.2 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | 8.4 | 135.9 | 163.3 | -49.7 | -11.4 | 0 | 0 | 0 | 120.7 | | |
| 530 | E | 34.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | 97.7 | 130.4 | 31 | -158.7 | -158.2 | -102.9 | 0 | 0 | 114.1 | | |
| 531 | K | 32.1 | Very low | 33.6 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | 68.7 | 164.6 | -175.2 | -51 | -170.4 | -175.5 | 70.5 | 0 | 113.6 | | |
| 532 | G | 30.3 | Very low | 32.9 | Very low | 66 Ų | 66 | 148.1 Ų | 148.1 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 167.1 | 157.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 533 | P | 59.2 | Low | 32.7 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | -94.6 | 140.3 | -164.4 | 35.4 | -34.6 | 0 | 0 | 0 | 115.2 | | |
| 534 | E | 27.1 | Very low | 32.6 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -169.8 | 136.2 | 153.2 | -99.5 | 143.2 | -156.3 | 0 | 0 | 106.1 | | |
| 535 | V | 31.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | 85.9 | 148.1 | 46.8 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 536 | L | 31.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | 85.6 | 104 | -160.7 | -54.9 | 178.1 | 0 | 0 | 0 | 112.8 | | |
| 537 | Q | 31.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | cis | 72.8 | 87.5 | 19.6 | -155.9 | -178.4 | 15.9 | 0 | 0 | 114.7 | | |
| 538 | D | 29.3 | Very low | 31.9 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | 175.4 | 151.6 | 147.1 | -97.2 | -16.6 | 0 | 0 | 0 | 107.6 | | |
| 539 | S | 31.7 | Very low | 31.6 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | cis | -144.9 | 133.8 | -3.1 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 540 | L | 30 | Very low | 31.4 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | | 38.3 | 120.6 | 97.8 | -67.2 | 172.8 | 0 | 0 | 0 | 115 | | |
| 541 | D | 30.6 | Very low | 31.2 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | | | | -168.2 | 159.9 | 90.6 | -156.1 | -3.4 | 0 | 0 | 0 | 113.2 | | |
| 542 | R | 29.8 | Very low | 31.1 | Very low | 192 Ų | 192 | 132 Ų | 132 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | | | trans | 49.8 | 119.3 | 165.7 | -82.2 | 160.9 | -98.6 | -176.4 | -2.9 | 119.1 | | |
| 543 | C | 26.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | | | | 66.5 | 132.2 | 58.4 | -56.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 544 | Y | 27.5 | Very low | 29.4 | Very low | 208 Ų | 208 | 135.2 Ų | 135.2 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | | | cis | -136.2 | 147.2 | 34.3 | -84.2 | -97.7 | 0 | 0 | 0 | 117 | | |
| 545 | S | 25.8 | Very low | 29.4 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | 57.5 | 99 | 136.8 | -60.6 | 0 | 0 | 0 | 0 | 123.9 | | |
| 546 | T | 30.9 | Very low | 29.1 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | | -70.7 | -171.5 | 120 | 9.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 547 | P | 40.9 | Very low | 28.9 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | cis | -135.3 | -167.3 | -15.8 | 34.1 | -12.5 | 0 | 0 | 0 | 114 | | |
| 548 | S | 26.1 | Very low | 29 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | 68.3 | 154.1 | 145.4 | -130.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 549 | G | 26.1 | Very low | 29.2 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | | | cis | 106.6 | 119.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 550 | C | 27.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -150.8 | 140.6 | 170.5 | -86.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 551 | L | 29.3 | Very low | 28.6 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | | 67.3 | 139.2 | 66.9 | -59.2 | 170 | 0 | 0 | 0 | 112 | | |
| 552 | E | 31.1 | Very low | 28.3 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 71% | 0.71 | 75% | 0.75 | S | S | * | * | | | cis | -156.8 | 149.4 | 19.3 | -146.8 | 144.4 | -130.5 | 0 | 0 | 115.4 | | |
| 553 | L | 28.4 | Very low | 28.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | | | trans | 20.7 | 151.4 | 150 | -62.6 | 174.7 | 0 | 0 | 0 | 125.4 | | |
| 554 | T | 25.5 | Very low | 28.2 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | 68.8 | 144.1 | 148.8 | 44.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 555 | D | 26.3 | Very low | 28.1 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | cis | -154.4 | 170.3 | 2.9 | -133.9 | -28.6 | 0 | 0 | 0 | 112.7 | | |
| 556 | S | 25.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | 135.1 | 114.3 | 146.4 | -165.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 557 | C | 27.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 60.3 | 98.3 | 144.7 | -66.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 558 | Q | 33.8 | Very low | 27.7 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -134.2 | 127.1 | 141.8 | -86 | -69.5 | -31.6 | 0 | 0 | 109.6 | | |
| 559 | P | 33.2 | Very low | 28.2 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | -127.3 | 105.3 | 164.1 | 34.4 | -19.7 | 0 | 0 | 0 | 113.9 | | |
| 560 | Y | 23.7 | Very low | 28.3 | Very low | 204 Ų | 204 | 151.1 Ų | 151.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | 36.5 | 125.8 | 137.4 | -70.2 | -89.1 | 0 | 0 | 0 | 120.6 | | |
| 561 | R | 24 | Very low | 28.2 | Very low | 252 Ų | 252 | 155.5 Ų | 155.5 | 95% | 0.951 | 78% | 0.781 | S | S | * | * | | | | -152.1 | 141.8 | 91.7 | -122.3 | -178.7 | -175.6 | -123.7 | 0.5 | 114.3 | | |
| 562 | S | 26.1 | Very low | 28.1 | Very low | 88 Ų | 88 | 155.5 Ų | 155.5 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | | | trans | -121.5 | 156.7 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 563 | A | 26.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 151.6 Ų | 151.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -152.4 | 111.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 564 | F | 26.3 | Very low | 27.7 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.803 | 80% | 0.795 | S | S | * | * | | | trans | -85 | 154.4 | 165.8 | -86.5 | -102.3 | 0 | 0 | 0 | 109.6 | | |
| 565 | Y | 25.6 | Very low | 27.8 | Very low | 224 Ų | 224 | 151.7 Ų | 151.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | | | | -161 | 146.7 | 120.6 | -104 | -67.7 | 0 | 0 | 0 | 110.9 | | |
| 566 | V | 30.8 | Very low | 28 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | trans | -130.4 | 126.9 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 567 | L | 29.1 | Very low | 28.2 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -143.1 | 106.4 | 165.5 | -83.7 | -176.9 | 0 | 0 | 0 | 111.6 | | |
| 568 | E | 29.3 | Very low | 28.4 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | 23.7 | 152.8 | 135.6 | -154.6 | 156.5 | -143.1 | 0 | 0 | 123.4 | | |
| 569 | Q | 35.9 | Very low | 28.5 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | -56.5 | 154.8 | -175 | -51.4 | 166.5 | 55 | 0 | 0 | 116.3 | | |
| 570 | Q | 29.4 | Very low | 28.6 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | | | trans | -149.2 | 174.3 | 133.7 | -121.4 | 168.6 | 32 | 0 | 0 | 114.2 | | |
| 571 | R | 25.2 | Very low | 29.1 | Very low | 209 Ų | 209 | 151.6 Ų | 151.6 | 79% | 0.789 | 79% | 0.787 | S | S | * | * | | | trans | -133.3 | 148 | -158.5 | -79.1 | -178.6 | 169.7 | -141.6 | 0.4 | 113.4 | | |
| 572 | V | 26 | Very low | 29.4 | Very low | 141 Ų | 141 | 146 Ų | 146 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | 67 | 130.6 | 147.2 | 171.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 573 | G | 25.4 | Very low | 29.8 | Very low | 70 Ų | 70 | 147.5 Ų | 147.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -156.8 | 160.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 574 | L | 27.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 151 Ų | 151 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | -145.6 | 174.2 | -169.7 | -88.2 | 171.2 | 0 | 0 | 0 | 112.9 | | |
| 575 | A | 26.3 | Very low | 30.3 | Very low | 86 Ų | 86 | 150 Ų | 150 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | 81.3 | 133.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 576 | V | 30.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | cis | 90.2 | 110.7 | 27 | 178.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 577 | D | 31.1 | Very low | 30.7 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | 174 | 143.7 | 141.5 | -83.8 | -24 | 0 | 0 | 0 | 106.2 | | |
| 578 | M | 31.5 | Very low | 31.2 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | cis | 120 | 104.8 | 10.1 | -78.5 | -67.6 | -66.7 | 0 | 0 | 112.2 | | |
| 579 | D | 36.2 | Very low | 31.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | | | trans | 70.7 | 133.9 | 144.5 | -62.1 | -4.4 | 0 | 0 | 0 | 126 | | |
| 580 | E | 33.4 | Very low | 31.4 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | | | trans | 83.2 | 150.4 | 133.4 | -86.8 | -167.7 | 161.6 | 0 | 0 | 125.4 | | |
| 581 | I | 34.6 | Very low | 31.4 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | | | trans | 71.3 | 144 | 151.5 | -72 | 158.2 | 0 | 0 | 0 | 117.1 | | |
| 582 | E | 31 | Very low | 31.7 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | | | cis | -166.3 | 169.7 | -19.1 | -98.7 | -155.4 | 168.3 | 0 | 0 | 107 | | |
| 583 | K | 33.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 136 Ų | 136 | 52% | 0.522 | 71% | 0.713 | S | S | . | * | | | cis | 166.3 | 167.2 | -17.9 | -178.5 | 179.9 | 172.2 | -165 | 0 | 109.2 | | |
| 584 | Y | 30.8 | Very low | 33.3 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | | | trans | 68.4 | 159.3 | 177.2 | -50.9 | -78.2 | 0 | 0 | 0 | 114.7 | | |
| 585 | Q | 34.1 | Very low | 33.5 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | | | cis | -145.7 | 173.2 | 4 | -154.4 | 155.1 | -11 | 0 | 0 | 114 | | |
| 586 | E | 33.8 | Very low | 34.3 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | -62.5 | 164 | -172.7 | -56.2 | 135.7 | 131.7 | 0 | 0 | 117.5 | | |
| 587 | V | 30.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | | | | 179.8 | 128.1 | 113.8 | 150.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 588 | E | 39.3 | Very low | 34.2 | Very low | 154 Ų | 154 | 143 Ų | 143 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | | | trans | 39.6 | 120 | 147.2 | -60.1 | 173.2 | 164.6 | 0 | 0 | 121 | | |
| 589 | E | 37.9 | Very low | 34.4 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | | | | 96.4 | 143 | 93.1 | -81.1 | -172.6 | 175.8 | 0 | 0 | 113.4 | | |
| 590 | D | 32.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | | | cis | -157.9 | 163 | -5.3 | -146.5 | -3.8 | 0 | 0 | 0 | 112.5 | | |
| 591 | Q | 29 | Very low | 34.4 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | | | trans | 41.1 | 127.3 | 164.9 | -45.3 | -62.4 | -65.2 | 0 | 0 | 120.2 | | |
| 592 | D | 30.6 | Very low | 34.4 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 60% | 0.604 | 73% | 0.732 | S | S | * | * | | | cis | 60 | 151.2 | 47.9 | -84.6 | -17.7 | 0 | 0 | 0 | 116.8 | | |
| 593 | P | 47.1 | Very low | 34.6 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | | | cis | -136.9 | -156.1 | -43.3 | 39.6 | -21.5 | 0 | 0 | 0 | 111.8 | | |
| 594 | S | 38.3 | Very low | 34.6 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | trans | -105.9 | -179 | -173.9 | 63 | 0 | 0 | 0 | 0 | 115.5 | | |
| 595 | C | 32 | Very low | 34.8 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | 86 | 162.9 | -178 | -55.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 596 | P | 43.6 | Very low | 34.8 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | cis | -131.8 | -170.4 | 7 | 43.8 | -27 | 0 | 0 | 0 | 116.4 | | |
| 597 | R | 32.6 | Very low | 34.7 | Very low | 227 Ų | 227 | 142.5 Ų | 142.5 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | | | trans | -78 | 156.9 | 172.8 | -60.3 | 166.5 | 165.9 | 176.6 | -7.1 | 112.7 | | |
| 598 | L | 26.4 | Very low | 35.5 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | | 175.1 | 165.9 | 104 | -90.7 | 176.9 | 0 | 0 | 0 | 114 | | |
| 599 | S | 35.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | | | trans | -91.5 | 152.6 | -166.2 | 51.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 600 | R | 32.8 | Very low | 35.3 | Very low | 234 Ų | 234 | 141.5 Ų | 141.5 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | | | trans | -165 | 160.6 | 131.9 | -128.5 | 175.4 | 175.4 | 162 | -3 | 116.3 | | |
| 601 | E | 36.2 | Very low | 35.4 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 76% | 0.763 | S | S | * | * | | | trans | -65.7 | 169.7 | 164.4 | -68.7 | 165.2 | 114.7 | 0 | 0 | 113.2 | | |
| 602 | L | 35.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 143 Ų | 143 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | | | cis | -164.3 | 165.8 | -4.2 | -118.1 | 170.9 | 0 | 0 | 0 | 110 | | |
| 603 | L | 33.6 | Very low | 35.7 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | 66.4 | 150.4 | 166.3 | -62.5 | 168.1 | 0 | 0 | 0 | 116 | | |
| 604 | D | 34.2 | Very low | 34.7 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | cis | -157.6 | 175.9 | 44.1 | -143.8 | -12.5 | 0 | 0 | 0 | 116.2 | | |
| 605 | E | 34.5 | Very low | 34.3 | Very low | 135 Ų | 135 | 146.2 Ų | 146.2 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | | | trans | 21 | 124.7 | 167.2 | -61 | -142 | 101.8 | 0 | 0 | 125.6 | | |
| 606 | K | 34.6 | Very low | 34.6 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 38.2 | 140.7 | 130.6 | -61.8 | 174.8 | -169.8 | 133.2 | 0 | 123.5 | | |
| 607 | G | 31.1 | Very low | 34.3 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | trans | -79 | -162.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 608 | P | 48.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | | -151.7 | 179.5 | 67.4 | 43.4 | -24.5 | 0 | 0 | 0 | 118.1 | | |
| 609 | E | 32.1 | Very low | 34.5 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | | | trans | 36.7 | 112.8 | 145.2 | -66.2 | 178.4 | 139 | 0 | 0 | 123.9 | | |
| 610 | V | 39.9 | Very low | 34.4 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | | 25 | 123.1 | 120.6 | -161.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 611 | L | 34.5 | Very low | 34.5 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | | 178.9 | 133.5 | 114.2 | -95.3 | 174.7 | 0 | 0 | 0 | 116.1 | | |
| 612 | Q | 34.9 | Very low | 35 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 71% | 0.71 | 74% | 0.736 | S | S | * | * | | | trans | 44 | 138.3 | 143.1 | -80.3 | 178.8 | -42.7 | 0 | 0 | 125.5 | | |
| 613 | D | 32 | Very low | 35 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | trans | 53.3 | 125.2 | 139 | -59.8 | 0.3 | 0 | 0 | 0 | 122.1 | | |
| 614 | S | 26.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | | -178.9 | 143.8 | 94.6 | 40.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 615 | L | 28.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | 48.4 | 102.3 | 142.2 | -61.3 | 170.2 | 0 | 0 | 0 | 122.5 | | |
| 616 | D | 38.3 | Very low | 34.1 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | | | | 50.9 | 113 | 111.8 | -159.5 | 26.6 | 0 | 0 | 0 | 121.8 | | |
| 617 | R | 38.9 | Very low | 34.1 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | | | trans | 76.6 | 132 | 142.9 | -124.9 | 172 | -65.2 | -176 | 2.8 | 121.9 | | |
| 618 | C | 30.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | | | | 173.7 | 112 | 106.9 | -85.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 619 | Y | 31.6 | Very low | 33.4 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 73% | 0.729 | 74% | 0.735 | S | S | * | * | | | trans | 62 | 113.7 | 132.7 | -64.7 | -61.1 | 0 | 0 | 0 | 126.4 | | |
| 620 | S | 33.9 | Very low | 33.4 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | | 100.8 | 106.8 | 111.4 | -68.3 | 0 | 0 | 0 | 0 | 124.4 | | |
| 621 | T | 34.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | | 52.9 | 166 | 119.7 | 18.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 622 | P | 48.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | cis | -116.5 | -161.9 | 24.1 | 44.9 | -33.5 | 0 | 0 | 0 | 116 | | |
| 623 | S | 33.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | | | trans | -158.8 | 170.4 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 624 | G | 26.9 | Very low | 32.7 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | trans | -174.8 | 121.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 625 | C | 28.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | | | trans | 65.5 | 133 | 161.8 | -64.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 626 | L | 29.1 | Very low | 32.3 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | | | cis | -161.1 | 170.7 | -12 | -80.2 | 177.1 | 0 | 0 | 0 | 105.4 | | |
| 627 | E | 34.1 | Very low | 31.6 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | | | cis | -156.5 | 141 | -1.8 | -121.6 | 144.5 | -166.1 | 0 | 0 | 106.7 | | |
| 628 | L | 34.3 | Very low | 31 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | | | | 58 | 134.4 | 99.8 | -55.9 | -165.2 | 0 | 0 | 0 | 116.3 | | |
| 629 | T | 31.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | | | cis | -168.3 | 159.9 | 7.6 | 28.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 630 | D | 31.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | | | cis | -162.4 | 144.6 | -9.3 | -110.3 | 11.1 | 0 | 0 | 0 | 108.8 | | |
| 631 | S | 28.8 | Very low | 30.4 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | | 73.1 | 135.5 | 95.3 | -145.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 632 | C | 27.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | cis | -139.8 | 178.6 | 40 | -70.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 633 | Q | 31.5 | Very low | 29.2 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -116.5 | -161.6 | -179 | -54.4 | -157.4 | -18.9 | 0 | 0 | 111.7 | | |
| 634 | P | 39.3 | Very low | 29.1 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | cis | -143.7 | -171.2 | -3.2 | 29.6 | -2.1 | 0 | 0 | 0 | 118.5 | | |
| 635 | Y | 23.5 | Very low | 29.1 | Very low | 204 Ų | 204 | 147.1 Ų | 147.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | 78 | 126.3 | 172.5 | -70.1 | -96.1 | 0 | 0 | 0 | 117.5 | | |
| 636 | R | 23.7 | Very low | 29.3 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | | | | 75.6 | 135.5 | 60.5 | -100 | -169.5 | 178.6 | -140.4 | 1.6 | 113.5 | | |
| 637 | S | 23 | Very low | 29.2 | Very low | 97 Ų | 97 | 153.1 Ų | 153.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | cis | -159.4 | 144.2 | 13 | 53.5 | 0 | 0 | 0 | 0 | 116 | | |
| 638 | A | 27.3 | Very low | 28.9 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 60% | 0.603 | 77% | 0.769 | S | S | * | * | | | trans | 26.5 | 145.3 | 135 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 639 | F | 24.1 | Very low | 28.6 | Very low | 200 Ų | 200 | 151 Ų | 151 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | | | | -156.7 | -176.3 | 63.1 | -106.8 | -81.7 | 0 | 0 | 0 | 116.9 | | |
| 640 | Y | 26.1 | Very low | 28.3 | Very low | 219 Ų | 219 | 149.6 Ų | 149.6 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -94 | 163.6 | -161.8 | -88.7 | -106.9 | 0 | 0 | 0 | 116.5 | | |
| 641 | V | 32.8 | Very low | 28.1 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -74.3 | 139.9 | 159.7 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 642 | L | 28.1 | Very low | 28.1 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -146.7 | 135.5 | 158.4 | -98.3 | 177.8 | 0 | 0 | 0 | 111.1 | | |
| 643 | E | 30 | Very low | 28.3 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -118.6 | 135.8 | 167.6 | 172.5 | -174.5 | -138.7 | 0 | 0 | 107.5 | | |
| 644 | Q | 29.4 | Very low | 28.4 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 175.1 | 146.5 | 130.9 | -100.2 | 179.1 | 81.6 | 0 | 0 | 116.5 | | |
| 645 | Q | 28.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | 66.9 | 138.4 | 143.8 | -68.9 | -178 | 9.4 | 0 | 0 | 122.6 | | |
| 646 | R | 32.7 | Very low | 28.8 | Very low | 243 Ų | 243 | 150.9 Ų | 150.9 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -95.4 | 142.2 | 156.8 | -62.8 | 173.6 | 168.8 | -148.3 | 0.3 | 109.5 | | |
| 647 | V | 26.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | | | trans | -142.4 | 149.3 | 145.3 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 648 | G | 27.6 | Very low | 29.8 | Very low | 61 Ų | 61 | 148.3 Ų | 148.3 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | -152.6 | 172.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 649 | L | 28.2 | Very low | 29.9 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 94% | 0.942 | 77% | 0.771 | S | S | * | * | | | trans | 170.7 | 150.9 | 164 | -94.8 | 162.4 | 0 | 0 | 0 | 106.1 | | |
| 650 | A | 24.7 | Very low | 30.4 | Very low | 82 Ų | 82 | 152.4 Ų | 152.4 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | | -179.6 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 651 | V | 28 | Very low | 31.2 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 83 | 119.9 | 163.6 | -166.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 652 | D | 29.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -89.3 | 165.7 | 177.1 | -36.4 | -97.9 | 0 | 0 | 0 | 112.9 | | |
| 653 | M | 30.7 | Very low | 32.4 | Very low | 162 Ų | 162 | 150.9 Ų | 150.9 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | 179 | 145.3 | 134.3 | -98.1 | -57.4 | -57.2 | 0 | 0 | 111.2 | | |
| 654 | D | 34 | Very low | 32.8 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -78.3 | -173.2 | -172.6 | -53.9 | -90.8 | 0 | 0 | 0 | 116.4 | | |
| 655 | E | 33.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | 76.5 | 149.4 | 159.8 | -65.8 | -168.9 | 163.3 | 0 | 0 | 116.7 | | |
| 656 | I | 36.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | cis | -158.9 | 146.5 | 1 | -123.2 | 168.1 | 0 | 0 | 0 | 111 | | |
| 657 | E | 34.4 | Very low | 34.2 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | 51.3 | 170.2 | 152.2 | -65.2 | -162.1 | 132.3 | 0 | 0 | 123.2 | | |
| 658 | K | 33 | Very low | 35.1 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | | | cis | 176.9 | 134.9 | -40 | -160 | -171.8 | -146.4 | 160.4 | 0 | 110.8 | | |
| 659 | Y | 30.6 | Very low | 35.4 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | 61.5 | 170.4 | 173.7 | -45.1 | -54.8 | 0 | 0 | 0 | 115.5 | | |
| 660 | Q | 34.8 | Very low | 35.8 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | | | cis | -149.7 | -177.6 | -3.1 | -147.3 | 156.9 | -14.5 | 0 | 0 | 112.1 | | |
| 661 | E | 42.8 | Very low | 37 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -70.2 | 158.7 | -178.9 | -53 | 133 | 114 | 0 | 0 | 115.1 | | |
| 662 | V | 35.8 | Very low | 37.3 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -166.4 | 141.3 | 137.7 | 156.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 663 | E | 49.7 | Very low | 37.5 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -99.8 | 153 | 164.9 | -65.5 | -178 | 135.4 | 0 | 0 | 111.2 | | |
| 664 | E | 38.2 | Very low | 37.7 | Very low | 197 Ų | 197 | 152.8 Ų | 152.8 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -161.9 | 144.9 | 152.3 | -120.7 | 171.8 | -167.4 | 0 | 0 | 112.9 | | |
| 665 | D | 44.4 | Very low | 37.7 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -92.9 | 170.5 | -178.1 | -74.3 | -57.2 | 0 | 0 | 0 | 114.1 | | |
| 666 | Q | 33.8 | Very low | 37.8 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | | 149.7 | 140.3 | 129.6 | -73.5 | -80.9 | -20.8 | 0 | 0 | 115.1 | | |
| 667 | D | 42.3 | Very low | 37.6 | Very low | 151 Ų | 151 | 154.4 Ų | 154.4 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -93.2 | 163.6 | 171.1 | -88.6 | -46 | 0 | 0 | 0 | 112.6 | | |
| 668 | P | 45.3 | Very low | 37.6 | Very low | 116 Ų | 116 | 154 Ų | 154 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -165 | 139.3 | 104 | 38.7 | -16.3 | 0 | 0 | 0 | 121.6 | | |
| 669 | S | 34.4 | Very low | 37.7 | Very low | 124 Ų | 124 | 154.1 Ų | 154.1 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | | 65.9 | 166 | 127.3 | -63.8 | 0 | 0 | 0 | 0 | 125.5 | | |
| 670 | C | 36.1 | Very low | 37.9 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | -126 | 170.3 | -158 | -61.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 671 | P | 49.4 | Very low | 37.8 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -89.3 | -177.3 | 175.3 | 36.9 | -38 | 0 | 0 | 0 | 116.4 | | |
| 672 | R | 34 | Very low | 37.1 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -158.9 | 148.6 | -156 | -82.6 | 179.9 | -175.7 | -173 | -0.2 | 118.4 | | |
| 673 | L | 34.1 | Very low | 37.6 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | | | trans | 75.3 | 156.1 | 150.8 | -63.7 | 164.2 | 0 | 0 | 0 | 121.1 | | |
| 674 | S | 35.6 | Very low | 36.8 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | cis | -148.3 | -135.2 | -13.8 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 675 | R | 33.2 | Very low | 36.3 | Very low | 187 Ų | 187 | 144 Ų | 144 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | cis | -173.4 | 132.5 | 13.5 | -174.6 | -175.8 | 170.9 | 113.3 | 17.5 | 114.1 | | |
| 676 | E | 35.8 | Very low | 35.7 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | 50.6 | 153.8 | 150.7 | -61.1 | 171.3 | 179.4 | 0 | 0 | 122.8 | | |
| 677 | L | 32.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | | | cis | -167.1 | 156.9 | -14.1 | -99.5 | 167 | 0 | 0 | 0 | 111.1 | | |
| 678 | L | 34 | Very low | 35 | Very low | 138 Ų | 138 | 141 Ų | 141 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | | | trans | 11.2 | 159.6 | 144.7 | -57.4 | 179.5 | 0 | 0 | 0 | 121.5 | | |
| 679 | D | 35.8 | Very low | 34.4 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | cis | -171.7 | 173.7 | 4 | -111.3 | -19.1 | 0 | 0 | 0 | 108.1 | | |
| 680 | E | 34.9 | Very low | 34.6 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | cis | -157.1 | 172.9 | -4.5 | -139.8 | -159.2 | 175.4 | 0 | 0 | 110.9 | | |
| 681 | K | 32.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 64% | 0.635 | 73% | 0.729 | S | S | * | * | | | trans | 42.1 | 121.4 | 154.4 | -75.4 | -173.7 | -178.2 | 80.1 | 0 | 124.4 | | |
| 682 | E | 26.6 | Very low | 33.4 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | | | | 34.2 | 157.3 | 107.3 | -90.5 | -160.9 | 135.8 | 0 | 0 | 123.4 | | |
| 683 | P | 47.8 | Very low | 33.2 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 60% | 0.597 | 71% | 0.714 | S | S | * | * | | | cis | -142.3 | -166.2 | -11.1 | 39.6 | -18.6 | 0 | 0 | 0 | 115.7 | | |
| 684 | E | 31.8 | Very low | 33 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | | | trans | 80.7 | 133.1 | 143.3 | -85.9 | -175.7 | 171.6 | 0 | 0 | 124.2 | | |
| 685 | V | 29.1 | Very low | 32.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | | | trans | 87.1 | 104.6 | 132.1 | 167 | 0 | 0 | 0 | 0 | 122.3 | | |
| 686 | L | 30.6 | Very low | 32.7 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | | | trans | 67 | 136 | 133.5 | -63.3 | -179.3 | 0 | 0 | 0 | 124.7 | | |
| 687 | Q | 31.2 | Very low | 32.8 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | | 86.8 | 113.2 | 129.3 | -83.3 | 177.5 | -41.4 | 0 | 0 | 124.4 | | |
| 688 | D | 30.1 | Very low | 32.7 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | | 76.4 | 153.5 | 120.2 | -87.2 | -38.9 | 0 | 0 | 0 | 124.9 | | |
| 689 | S | 33.1 | Very low | 32.3 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | 78.6 | 94.4 | 152.3 | 61.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 690 | L | 38.7 | Very low | 31.9 | Very low | 171 Ų | 171 | 140 Ų | 140 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | | | | 14.3 | 131.8 | 119.8 | -64.2 | 166 | 0 | 0 | 0 | 118.7 | | |
| 691 | D | 30.9 | Very low | 31.6 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | | | | -160.3 | 145.6 | 125 | -131.5 | -21 | 0 | 0 | 0 | 118.3 | | |
| 692 | R | 28.6 | Very low | 31.6 | Very low | 196 Ų | 196 | 141 Ų | 141 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | trans | 47.4 | 118.1 | 145.6 | -115.4 | 155.3 | -72.2 | -166.9 | 1.1 | 125.7 | | |
| 693 | C | 30.4 | Very low | 32 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | | | trans | -7.6 | 168.6 | 130.4 | -22.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 694 | Y | 29.9 | Very low | 31.7 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | cis | -161.2 | 159.9 | 18.8 | -99.3 | -61.7 | 0 | 0 | 0 | 110.5 | | |
| 695 | S | 27.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | | 164.3 | 146.6 | 122.2 | -74.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 696 | T | 36 | Very low | 31.5 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | | | trans | -143.8 | 138.3 | 170.2 | -46.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 697 | P | 37 | Very low | 31.4 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | trans | -143.1 | 168.2 | 147.3 | 37.6 | -23.4 | 0 | 0 | 0 | 113.3 | | |
| 698 | S | 30 | Very low | 31.3 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | cis | 170.9 | 131.8 | -40 | 54.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 699 | G | 26.7 | Very low | 31.7 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | 136.3 | 109 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 700 | Y | 27.4 | Very low | 31.2 | Very low | 230 Ų | 230 | 145 Ų | 145 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | | 69.7 | 99.9 | 74.2 | -87.7 | -78.2 | 0 | 0 | 0 | 114.7 | | |
| 701 | L | 28.9 | Very low | 30.5 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | | -176.4 | 145.8 | 105 | -124.8 | 65.3 | 0 | 0 | 0 | 114 | | |
| 702 | E | 31.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 46.5 | 125.4 | 143.1 | -75 | 158.3 | -169.8 | 0 | 0 | 124.7 | | |
| 703 | L | 34.8 | Very low | 30 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -85 | 175.9 | 144.6 | -67.7 | 172.3 | 0 | 0 | 0 | 108.5 | | |
| 704 | P | 43.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | cis | -150.3 | -166.9 | 23.2 | 47.1 | -25.7 | 0 | 0 | 0 | 117.9 | | |
| 705 | D | 27.5 | Very low | 29.7 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | 47.9 | 128.7 | 149.1 | -55.3 | -24.7 | 0 | 0 | 0 | 123.4 | | |
| 706 | L | 27.7 | Very low | 29.7 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | | | | -173.7 | 151.4 | 99.4 | -138.5 | 73.2 | 0 | 0 | 0 | 112.5 | | |
| 707 | G | 30 | Very low | 29.4 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 108.2 | 90.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 708 | Q | 27.5 | Very low | 29.1 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -119.1 | 179.1 | 146.4 | -68.9 | -157.4 | 0.4 | 0 | 0 | 107.9 | | |
| 709 | P | 38.4 | Very low | 29.3 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | | | cis | -127.2 | -176 | -9 | 40.3 | -24.6 | 0 | 0 | 0 | 112.9 | | |
| 710 | Y | 24.3 | Very low | 29.6 | Very low | 222 Ų | 222 | 149.1 Ų | 149.1 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | | -171.9 | 165.1 | 112.7 | -119.4 | -87.2 | 0 | 0 | 0 | 112.6 | | |
| 711 | S | 22.4 | Very low | 29.8 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | trans | -113.8 | 158.6 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 712 | S | 23.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 156 | 162.7 | 134 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 713 | A | 26.7 | Very low | 29.8 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -78.5 | 160.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 714 | V | 27.2 | Very low | 29.8 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -133.3 | 138.9 | 158.5 | -158.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 715 | Y | 26 | Very low | 29.1 | Very low | 225 Ų | 225 | 144.7 Ų | 144.7 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -81 | 171.6 | 169.6 | -105.2 | -105.2 | 0 | 0 | 0 | 110.7 | | |
| 716 | S | 26.3 | Very low | 29.4 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -55.1 | 148.5 | 164 | -45.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 717 | L | 30.1 | Very low | 29.6 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | | -170.6 | 142.1 | 111.7 | -160 | 58.5 | 0 | 0 | 0 | 112.5 | | |
| 718 | E | 30.5 | Very low | 29.8 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | trans | 39.1 | 137.1 | 156 | -71.8 | 152.7 | -166.2 | 0 | 0 | 123.4 | | |
| 719 | E | 35.2 | Very low | 30.1 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -77.3 | 134 | 163.3 | -58 | -177.1 | 120.6 | 0 | 0 | 111.1 | | |
| 720 | Q | 33.2 | Very low | 29.8 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -127.8 | 101.5 | 158.2 | -71.1 | -166.2 | 1.5 | 0 | 0 | 110.1 | L722 | Q720-L722 PolarHBondContact O-N 3.44Š|
| 721 | Y | 31 | Very low | 30.3 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 111.8 | 174.7 | -103.7 | -93.1 | 0 | 0 | 0 | 111 | | |
| 722 | L | 31.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -142.5 | 97.5 | 158 | -159.5 | 74.6 | 0 | 0 | 0 | 110.7 | Q720 | Q720-L722 PolarHBondContact O-N 3.44Š|
| 723 | G | 29.8 | Very low | 31.4 | Very low | 69 Ų | 69 | 150.3 Ų | 150.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -87.1 | 131.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 724 | L | 32.9 | Very low | 32 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | | | trans | -131.7 | 112.6 | 156.8 | -74.6 | 178.4 | 0 | 0 | 0 | 109.2 | | |
| 725 | A | 30.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 153.2 Ų | 153.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -86.4 | -170.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 726 | L | 33.5 | Very low | 32.6 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | 80.7 | 140.3 | -177.9 | -48.9 | 177.6 | 0 | 0 | 0 | 115.5 | | |
| 727 | D | 32.3 | Very low | 33.1 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | cis | -162.1 | 167.2 | -34.9 | -129.3 | -19.8 | 0 | 0 | 0 | 112.3 | | |
| 728 | V | 33.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 153 Ų | 153 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 25.7 | 111.4 | 153.7 | -176.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 729 | D | 34.5 | Very low | 33.6 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | 22.8 | 120.2 | 132.7 | -94.8 | -52.9 | 0 | 0 | 0 | 122.3 | | |
| 730 | R | 30.9 | Very low | 33.7 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | | 54 | 125.4 | 116.9 | -95.1 | -177.6 | 155.8 | -163.4 | 0.5 | 122 | | |
| 731 | I | 35.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 150 Ų | 150 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | trans | 104.5 | 99.6 | 136.6 | -62.5 | 158.5 | 0 | 0 | 0 | 119.1 | | |
| 732 | K | 33.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | | 39.9 | 132.7 | 129.9 | -43.7 | -178.2 | -174.7 | -171.7 | 0 | 119.1 | | |
| 733 | K | 35.7 | Very low | 34.8 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | | -169.4 | 129.3 | 67.4 | -87.1 | -175.8 | 166.1 | -173.5 | 0 | 115.4 | | |
| 734 | D | 38.3 | Very low | 35.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | | | | 32.9 | 109.5 | 121.5 | -26 | -36.4 | 0 | 0 | 0 | 121.6 | | |
| 735 | Q | 31.3 | Very low | 36 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | trans | 179 | 145.3 | 143.2 | -104.1 | 172 | -64 | 0 | 0 | 107.8 | | |
| 736 | E | 35.4 | Very low | 36.8 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | cis | -157.9 | 154.1 | 7.7 | -159.9 | 142.4 | -119.8 | 0 | 0 | 112.1 | | |
| 737 | E | 37 | Very low | 36.8 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | 59.8 | 126.5 | 154.1 | -79.6 | -179.3 | 174.9 | 0 | 0 | 127 | | |
| 738 | E | 36.2 | Very low | 36.7 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | | 93.5 | 133.5 | 128.8 | -67.2 | -76.6 | 74.5 | 0 | 0 | 126.5 | | |
| 739 | E | 35.1 | Very low | 36.7 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | 53.9 | 99.8 | 152 | -62.6 | -156.1 | 133.9 | 0 | 0 | 125.7 | | |
| 740 | D | 37.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | | | | 94.3 | 151.8 | 105 | -156.1 | 28.8 | 0 | 0 | 0 | 123 | | |
| 741 | Q | 32.5 | Very low | 36.8 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | | | trans | 67.7 | 112.6 | 172.7 | -54.2 | -57.5 | -28.8 | 0 | 0 | 120.6 | | |
| 742 | G | 30.5 | Very low | 36.6 | Very low | 64 Ų | 64 | 144.7 Ų | 144.7 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | -103.3 | -142.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 743 | P | 55.2 | Low | 36.5 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | cis | -127.5 | -145.4 | -13.4 | 44 | -25.8 | 0 | 0 | 0 | 109.1 | | |
| 744 | P | 52.4 | Low | 36.2 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | cis | -132.9 | 176 | -15.2 | 39.8 | -21.6 | 0 | 0 | 0 | 116.7 | | |
| 745 | C | 35.1 | Very low | 35.8 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | | | trans | -87.7 | 179.8 | 170.7 | -38.4 | 0 | 0 | 0 | 0 | 113 | | |
| 746 | P | 46.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | | | | -131 | 153.7 | 86.6 | 14.8 | 7.6 | 0 | 0 | 0 | 112.9 | | |
| 747 | R | 34.7 | Very low | 36.2 | Very low | 221 Ų | 221 | 138.8 Ų | 138.8 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | | | | 67.4 | 143.7 | 54.3 | -62.6 | -176.7 | 159 | -176.7 | -4.4 | 112.9 | | |
| 748 | L | 30 | Very low | 36.2 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | cis | -152.3 | 157.1 | 30.1 | -68.6 | 159.9 | 0 | 0 | 0 | 113.7 | | |
| 749 | S | 32.4 | Very low | 36.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | trans | 51.3 | 161 | 132.4 | 68.8 | 0 | 0 | 0 | 0 | 124.5 | | |
| 750 | R | 34.2 | Very low | 36.3 | Very low | 199 Ų | 199 | 134.8 Ų | 134.8 | 75% | 0.751 | 73% | 0.728 | S | S | * | * | | | cis | 173.1 | 159.7 | -24.1 | -175 | 173.1 | 158.6 | 164.9 | -10.9 | 107.8 | | |
| 751 | E | 33.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | trans | 73.5 | 121.6 | 156 | -93.7 | 142.7 | -174.1 | 0 | 0 | 122.1 | | |
| 752 | L | 31.7 | Very low | 36.1 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | trans | 72.1 | 100.4 | 135.8 | -62.6 | 168.7 | 0 | 0 | 0 | 122.3 | | |
| 753 | L | 30.8 | Very low | 36 | Very low | 146 Ų | 146 | 140 Ų | 140 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | | 52.6 | 143.1 | 94.4 | -151 | 83.3 | 0 | 0 | 0 | 120.5 | | |
| 754 | E | 30.3 | Very low | 34.9 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | 83.4 | 114 | 158 | -82.7 | -157.5 | 107.9 | 0 | 0 | 121.3 | | |
| 755 | V | 29.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | | | | 93.1 | 99.7 | 121.2 | 169.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 756 | V | 30.8 | Very low | 33.5 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | | | | 72.3 | 121.5 | 125.9 | 174.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 757 | E | 45.1 | Very low | 32.6 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -55.9 | 157.1 | 164.5 | -59.8 | 172.4 | 122.1 | 0 | 0 | 112.7 | | |
| 758 | P | 37 | Very low | 32.3 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | | -137.7 | 145.5 | 125.4 | 37.5 | -27.9 | 0 | 0 | 0 | 113.8 | | |
| 759 | E | 38.1 | Very low | 32.2 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -60.3 | 176.6 | 155.8 | -46 | 175.3 | 116.8 | 0 | 0 | 110.3 | | |
| 760 | V | 34.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | | | cis | -162.1 | 140.9 | 20.7 | 84.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 761 | L | 34.8 | Very low | 31.5 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | 56.5 | -179.7 | 153.6 | -56.9 | 171.6 | 0 | 0 | 0 | 116.9 | | |
| 762 | Q | 30.1 | Very low | 31.8 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | cis | -154.6 | 125.1 | 8.1 | -157.5 | 159.3 | 44.3 | 0 | 0 | 111.7 | | |
| 763 | D | 29.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -168.1 | 144.4 | 156.3 | -147 | 55.9 | 0 | 0 | 0 | 109.1 | | |
| 764 | S | 32.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | -136.2 | 155.4 | -18.7 | 16.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 765 | L | 28.5 | Very low | 31 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | trans | -72.2 | 178.2 | -175.5 | -71.2 | 155.6 | 0 | 0 | 0 | 113.7 | | |
| 766 | D | 29.9 | Very low | 31 | Very low | 115 Ų | 115 | 136 Ų | 136 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | trans | 77.6 | 142.2 | 150.2 | -84.4 | -45.2 | 0 | 0 | 0 | 117.9 | | |
| 767 | R | 28.3 | Very low | 30.9 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 70% | 0.698 | 76% | 0.757 | S | S | * | * | | | cis | -153.7 | 159.1 | -4 | -160.7 | 165.6 | -74.7 | 155.3 | 1.3 | 110.6 | | |
| 768 | C | 28 | Very low | 30.2 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | trans | -55.6 | 149.6 | 160.9 | -42.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 769 | Y | 28.3 | Very low | 30.6 | Very low | 221 Ų | 221 | 136.2 Ų | 136.2 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | | -170.5 | 156.2 | 128.8 | -93.8 | -58.5 | 0 | 0 | 0 | 110.9 | | |
| 770 | S | 25.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | -84.9 | 167.2 | -176.1 | -52.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 771 | T | 24.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | | | trans | -27 | 167.4 | 161.5 | 24.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 772 | P | 39.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | | | cis | -135.9 | -172.2 | -7.8 | 39.4 | -21.3 | 0 | 0 | 0 | 114.2 | | |
| 773 | S | 27.3 | Very low | 29.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 76% | 0.756 | S | S | * | * | | | trans | 176.7 | -179 | 137.4 | 45.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 774 | S | 24.7 | Very low | 29.9 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -158.2 | 170.9 | -157.3 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 775 | C | 24.4 | Very low | 29.5 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 83.5 | 127.5 | 159.8 | -55.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 776 | L | 29 | Very low | 29.4 | Very low | 147 Ų | 147 | 135.4 Ų | 135.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | | 167.1 | 101.6 | 128.5 | -87.3 | 166.3 | 0 | 0 | 0 | 108 | | |
| 777 | E | 30.5 | Very low | 29.3 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | | 66.7 | 102.9 | 92.7 | -71 | -166.8 | 138.2 | 0 | 0 | 114 | | |
| 778 | Q | 28.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | | 99.1 | 163 | 84.5 | -92.3 | -166 | 22 | 0 | 0 | 112.6 | | |
| 779 | P | 46.1 | Very low | 29.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | | | cis | -137.8 | -155.5 | -27.7 | 36.6 | -15.2 | 0 | 0 | 0 | 113.1 | | |
| 780 | D | 26.8 | Very low | 29.6 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | 74.2 | 149.7 | 157.6 | -65.9 | -18.9 | 0 | 0 | 0 | 120.7 | | |
| 781 | S | 24.5 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | cis | -170 | -176.2 | -18.9 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 782 | C | 27.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | 84.1 | 112.9 | 160.7 | -62.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 783 | Q | 33.9 | Very low | 30 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -97.2 | -176.6 | 136.7 | -69.8 | -171.6 | -12.8 | 0 | 0 | 108.1 | | |
| 784 | P | 40.1 | Very low | 30.2 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -145.3 | -143.3 | 14.4 | 44.4 | -20.7 | 0 | 0 | 0 | 115.4 | | |
| 785 | Y | 23.4 | Very low | 30.5 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 91% | 0.91 | 76% | 0.755 | S | S | * | * | | | trans | 88.5 | 137.9 | -177.1 | -83.7 | -101.1 | 0 | 0 | 0 | 116.5 | | |
| 786 | G | 26.8 | Very low | 30.9 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | cis | -165.5 | 170 | -0.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 787 | S | 26.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -84.9 | 166.2 | -172.7 | 67.6 | 0 | 0 | 0 | 0 | 114 | | |
| 788 | S | 32.1 | Very low | 30.7 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | | 173.5 | 141.8 | 72.4 | 44.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 789 | F | 29.3 | Very low | 30.7 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | | | trans | 50.2 | 157.8 | 151.8 | -47.7 | -56.3 | 0 | 0 | 0 | 121.4 | | |
| 790 | Y | 30.5 | Very low | 30.1 | Very low | 219 Ų | 219 | 141 Ų | 141 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | cis | -137.8 | 172.4 | 10.5 | -112.5 | -69.5 | 0 | 0 | 0 | 112.5 | | |
| 791 | A | 29.6 | Very low | 30.3 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -84.8 | 167.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 792 | L | 35 | Very low | 30.6 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -153.4 | 176.2 | 136.6 | -112.6 | 173.9 | 0 | 0 | 0 | 111.4 | | |
| 793 | E | 34.1 | Very low | 30.7 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -94.3 | 139.4 | -147.3 | -71.6 | 167.6 | 109.4 | 0 | 0 | 118.8 | | |
| 794 | E | 31.5 | Very low | 30.5 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | | | trans | -47.7 | 138.2 | 151.6 | -175 | -141.7 | 144.8 | 0 | 0 | 114.1 | | |
| 795 | K | 31.3 | Very low | 30.3 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | | 169.4 | 160.9 | 119.8 | -91.2 | 176.6 | 179.3 | 67.1 | 0 | 116.2 | | |
| 796 | H | 31.7 | Very low | 31 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | | | trans | -87.4 | -174.9 | -173.9 | -62 | -110.2 | 0 | 0 | 0 | 114.9 | | |
| 797 | V | 27 | Very low | 31.5 | Very low | 129 Ų | 129 | 144 Ų | 144 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | | | trans | 97.4 | 118.1 | 153.3 | -168 | 0 | 0 | 0 | 0 | 116.2 | F799 | V797-F799 HydrophobicContact CG1-CD2 4.47Å; V797-F799 HydrophobicContact CG1-CE2 4.28Å |
| 798 | G | 29 | Very low | 32.1 | Very low | 62 Ų | 62 | 146.5 Ų | 146.5 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | | | trans | -92.7 | -162.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 799 | F | 27.3 | Very low | 32.4 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | | | trans | -167.1 | 179.6 | 161.1 | -105.9 | -64.4 | 0 | 0 | 0 | 111.9 | V797 | V797-F799 HydrophobicContact CG1-CD2 4.47Å; V797-F799 HydrophobicContact CG1-CE2 4.28Å |
| 800 | S | 34.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -121.2 | -178.6 | -171.6 | -46.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 801 | L | 31.3 | Very low | 32.7 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | 98.1 | 99.3 | 161.5 | -59.5 | 170.7 | 0 | 0 | 0 | 119.9 | | |
| 802 | D | 30.1 | Very low | 32.8 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | | 75.9 | 159.6 | 100.9 | -157.2 | 25.7 | 0 | 0 | 0 | 122.3 | | |
| 803 | V | 29.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 82.4 | 121.5 | 166.5 | -168.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 804 | G | 31.2 | Very low | 32.7 | Very low | 75 Ų | 75 | 148.6 Ų | 148.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -172.3 | 59.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 805 | E | 34.5 | Very low | 32.6 | Very low | 190 Ų | 190 | 153.1 Ų | 153.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -68.6 | 141.7 | 178.1 | -69 | -168.5 | 129.8 | 0 | 0 | 113.9 | | |
| 806 | I | 39.3 | Very low | 32.6 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 92% | 0.923 | 81% | 0.813 | S | S | * | * | | | trans | -142.9 | 127.8 | 153.1 | 9.9 | 173.9 | 0 | 0 | 0 | 111.8 | | |
| 807 | E | 37.2 | Very low | 32.4 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | | | trans | -111.8 | 149.7 | -173.6 | -163.5 | -145.3 | 175.5 | 0 | 0 | 112.1 | | |
| 808 | K | 39.4 | Very low | 32.7 | Very low | 161 Ų | 161 | 158 Ų | 158 | 70% | 0.7 | 82% | 0.816 | S | S | * | * | | | trans | 115.8 | 111.2 | 148.1 | -60.1 | 150.9 | -161.9 | 166.1 | 0 | 117.2 | | |
| 809 | K | 36.6 | Very low | 32.9 | Very low | 217 Ų | 217 | 166.1 Ų | 166.1 | 94% | 0.943 | 83% | 0.828 | S | S | * | * | | | | -177.9 | 136.8 | 95.9 | -95.1 | 164 | -171.4 | 168.2 | 0 | 111.1 | | |
| 810 | G | 33.4 | Very low | 33.3 | Very low | 78 Ų | 78 | 162 Ų | 162 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -118.4 | 146.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 811 | K | 34 | Very low | 33.2 | Very low | 220 Ų | 220 | 165.6 Ų | 165.6 | 96% | 0.957 | 83% | 0.826 | S | S | * | * | | | trans | -146 | 141.1 | 158.1 | -61.4 | 177.2 | -175.2 | 172.1 | 0 | 107 | | |
| 812 | G | 31.1 | Very low | 33.2 | Very low | 66 Ų | 66 | 167.7 Ų | 167.7 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | | | cis | 156.4 | 91.3 | -15.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 813 | K | 34.3 | Very low | 33.2 | Very low | 203 Ų | 203 | 167.3 Ų | 167.3 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | trans | 77.7 | 154.9 | 172 | -52.2 | 157.3 | -176.5 | 164.6 | 0 | 113.5 | | |
| 814 | K | 32.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 172.9 Ų | 172.9 | 74% | 0.739 | 83% | 0.83 | S | S | * | * | | | cis | -166.4 | 148.3 | 4.4 | -132.3 | 172.7 | -177.2 | -178.8 | 0 | 111.6 | | |
| 815 | R | 29.2 | Very low | 33.3 | Very low | 231 Ų | 231 | 179.7 Ų | 179.7 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | | | trans | 68.1 | 162.3 | 162.2 | -65.2 | 170.1 | 154.3 | 178 | -10.7 | 115.2 | | |
| 816 | R | 31.1 | Very low | 33.1 | Very low | 251 Ų | 251 | 182.8 Ų | 182.8 | 95% | 0.947 | 84% | 0.836 | S | S | * | * | | | cis | -80 | -121.1 | 16.6 | -56.5 | -174.5 | 179.8 | -168.9 | -0.5 | 114.8 | | |
| 817 | G | 29.2 | Very low | 32.7 | Very low | 70 Ų | 70 | 178 Ų | 178 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | | | cis | -164.8 | -166.6 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 818 | R | 33.4 | Very low | 32.6 | Very low | 248 Ų | 248 | 182.1 Ų | 182.1 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | | | trans | -149.3 | 156.7 | -178.4 | -64.1 | 175.6 | 176.8 | -179.4 | -2.2 | 108.6 | | |
| 819 | R | 31.7 | Very low | 32.3 | Very low | 233 Ų | 233 | 179.8 Ų | 179.8 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | cis | 92.1 | 80.3 | 10 | -153 | -172.7 | -158.9 | -164.9 | 8 | 118.2 | | |
| 820 | S | 35.5 | Very low | 32.2 | Very low | 120 Ų | 120 | 177.6 Ų | 177.6 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | | | trans | -115.9 | 131.1 | 150.6 | 44.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 821 | K | 32.7 | Very low | 32 | Very low | 182 Ų | 182 | 176.9 Ų | 176.9 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | | | cis | 97.3 | 61.5 | 4.7 | -146.9 | -163.2 | 178.2 | -155.4 | 0 | 117.5 | E823 | K821-E823 PolarHBondContact O-N 3.47Š|
| 822 | K | 31.7 | Very low | 32 | Very low | 204 Ų | 204 | 174.8 Ų | 174.8 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -19.3 | 116.7 | 147.2 | -173.8 | 169.4 | -171.2 | 161.3 | 0 | 113.3 | | |
| 823 | E | 29.8 | Very low | 32 | Very low | 136 Ų | 136 | 180.8 Ų | 180.8 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | | | trans | -100.2 | 134.9 | 178.5 | -169.7 | 161.9 | 130.3 | 0 | 0 | 111.6 | K821 R825 | K821-E823 PolarHBondContact O-N 3.47Å; E823-R825 HydrophobicContact CG-CG 4.37Å; E823-R825 IonicContact OE1-CZ 3.05Å; E823-R825 VanDerWaalsContact OE1-CZ 3.25Å; E823-R825 IonicContact OE1-NE 2.8Å; E823-R825 PolarHBondContact OE1-NE 2.87Å; E823-R825 IonicContact OE1-NH2 2.63Å; E823-R825 PolarHBondContact OE1-NH2 2.96Å |
| 824 | R | 31.7 | Very low | 32.1 | Very low | 241 Ų | 241 | 177.5 Ų | 177.5 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -115.7 | 134.5 | 165.5 | -84.2 | 176.6 | 153.4 | -179 | -6.8 | 106.8 | | |
| 825 | R | 31.2 | Very low | 32.2 | Very low | 218 Ų | 218 | 178.2 Ų | 178.2 | 82% | 0.823 | 82% | 0.817 | S | S | * | * | | | trans | -111.9 | 135.6 | 171.6 | -67.5 | -171.3 | 174.5 | -172.4 | -1.4 | 111.1 | E823 | E823-R825 HydrophobicContact CG-CG 4.37Å; E823-R825 IonicContact OE1-CZ 3.05Å; E823-R825 VanDerWaalsContact OE1-CZ 3.25Å; E823-R825 IonicContact OE1-NE 2.8Å; E823-R825 PolarHBondContact OE1-NE 2.87Å; E823-R825 IonicContact OE1-NH2 2.63Å; E823-R825 PolarHBondContact OE1-NH2 2.96Å |
| 826 | R | 31.4 | Very low | 32.3 | Very low | 256 Ų | 256 | 173.5 Ų | 173.5 | 97% | 0.966 | 81% | 0.809 | S | S | * | * | | | trans | -164 | 125.8 | 165.9 | -141.7 | -180 | -169 | -159.2 | 2.9 | 113.7 | | |
| 827 | G | 29.1 | Very low | 32.9 | Very low | 78 Ų | 78 | 167 Ų | 167 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 81 | 163 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 828 | R | 35 | Very low | 33.3 | Very low | 241 Ų | 241 | 169.4 Ų | 169.4 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | cis | -176 | 168.8 | -21.4 | -138.5 | -165.3 | 174.5 | -156.9 | -0.1 | 106.9 | | |
| 829 | K | 34.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 163.5 Ų | 163.5 | 49% | 0.491 | 80% | 0.798 | S | S | . | * | | | cis | -149.3 | -163.7 | -2.3 | -175 | -124.1 | 131 | -162.7 | 0 | 106 | | |
| 830 | E | 32.8 | Very low | 33.4 | Very low | 170 Ų | 170 | 158.4 Ų | 158.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | 90.7 | 130.5 | 158.6 | -56.4 | 166.2 | -165.7 | 0 | 0 | 115.1 | | |
| 831 | G | 29.9 | Very low | 33.1 | Very low | 63 Ų | 63 | 163.8 Ų | 163.8 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | cis | -100.3 | 175.4 | -12.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 832 | E | 34.1 | Very low | 32.9 | Very low | 176 Ų | 176 | 163.3 Ų | 163.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | cis | 73.4 | 125.7 | 48 | -142.4 | 149.4 | -121 | 0 | 0 | 110.7 | | |
| 833 | E | 30.3 | Very low | 32.7 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | cis | -132.6 | -178.8 | 35.8 | -58.4 | 178.4 | 116.1 | 0 | 0 | 116 | | |
| 834 | D | 36.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 155.1 Ų | 155.1 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -91.7 | 153 | 177.8 | -84.6 | -61.8 | 0 | 0 | 0 | 114.7 | | |
| 835 | Q | 35.6 | Very low | 32.5 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -153.6 | 153.7 | 131.6 | -79.9 | -41.7 | -42.4 | 0 | 0 | 112.6 | | |
| 836 | N | 32.1 | Very low | 32.6 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | -121.9 | -178.6 | -178.7 | -97.5 | -85.8 | 0 | 0 | 0 | 109.1 | | |
| 837 | P | 42 | Very low | 32.5 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | cis | -148.5 | -143.3 | 30.8 | 52.6 | -29.6 | 0 | 0 | 0 | 113.6 | | |
| 838 | P | 39.4 | Very low | 32.9 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -127.1 | -171.9 | -141.2 | 29.8 | -1.3 | 0 | 0 | 0 | 116.9 | | |
| 839 | C | 29.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | trans | -77.2 | 162.6 | -171.4 | -35.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 840 | P | 37 | Very low | 32.5 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -109.4 | 168.2 | 153.5 | 37.5 | -29 | 0 | 0 | 0 | 113.9 | | |
| 841 | R | 28.2 | Very low | 32.3 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -122.6 | 165.4 | 176.4 | -66 | 170.4 | 164.3 | 173.7 | -8.4 | 110.4 | | |
| 842 | L | 29.6 | Very low | 32.2 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -173.7 | 170.2 | 136.4 | -103.3 | 163.8 | 0 | 0 | 0 | 113.7 | | |
| 843 | N | 27.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 51% | 0.508 | 79% | 0.792 | S | S | . | * | | | trans | -109.4 | 166.3 | -171.5 | -69.2 | -39.2 | 0 | 0 | 0 | 113.3 | L228 | L228-N843 HydrophobicContact CD2-CB 4.2Š|
| 844 | G | 29 | Very low | 32.1 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | trans | -177.1 | 80.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 845 | V | 28.7 | Very low | 31.8 | Very low | 150 Ų | 150 | 149 Ų | 149 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | 36.4 | 132.6 | 142.1 | -177.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 846 | L | 31.8 | Very low | 31.6 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | | | trans | -78.1 | 159.5 | 168.6 | -80.5 | 166.8 | 0 | 0 | 0 | 114.3 | | |
| 847 | M | 30.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -143.5 | 138.4 | 157.5 | -159 | -176.4 | 83.4 | 0 | 0 | 110.2 | | |
| 848 | E | 36.3 | Very low | 30.9 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -84.6 | 170.2 | 174.7 | -57.4 | 165.7 | 131.4 | 0 | 0 | 111.2 | | |
| 849 | V | 31.5 | Very low | 30.6 | Very low | 120 Ų | 120 | 152 Ų | 152 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | 177 | 130.6 | 134.9 | 143.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 850 | E | 30.5 | Very low | 30.5 | Very low | 162 Ų | 162 | 152 Ų | 152 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | 40.1 | 115.5 | 150.5 | -58.3 | 175.3 | 105.7 | 0 | 0 | 124.5 | | |
| 851 | E | 28.9 | Very low | 30 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | | 5.2 | 147.8 | 126 | -53.5 | -177.8 | 140.4 | 0 | 0 | 122.6 | | |
| 852 | R | 28.1 | Very low | 30 | Very low | 209 Ų | 209 | 148.1 Ų | 148.1 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | | | | -179.7 | 125.5 | 114.9 | -94.9 | 173.7 | -176 | -130.1 | -6.2 | 111 | | |
| 853 | E | 31.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | | 85 | 153.5 | 72.2 | -75.9 | -162.3 | 118.3 | 0 | 0 | 115.7 | | |
| 854 | V | 30.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | | | trans | 100.9 | 90.7 | 152.6 | -164.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 855 | L | 30.3 | Very low | 29.7 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | 85.7 | 164.3 | 132.1 | -71.5 | 175.9 | 0 | 0 | 0 | 125.3 | | |
| 856 | Q | 30.1 | Very low | 30.2 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | -130.9 | -154.2 | -163.6 | -54.2 | 172.3 | -91.2 | 0 | 0 | 111.3 | | |
| 857 | D | 30.2 | Very low | 29.8 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | 80.5 | 146.8 | 173.6 | -67.9 | -14.1 | 0 | 0 | 0 | 117.1 | | |
| 858 | S | 30.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | cis | -143.9 | 165.4 | 8.6 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 859 | L | 32.5 | Very low | 29 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | | | trans | -97.2 | 146.4 | 174.4 | -76.7 | 164.2 | 0 | 0 | 0 | 113.3 | | |
| 860 | D | 28.8 | Very low | 28.8 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | | | trans | -178.1 | 155.5 | 153.8 | -107.2 | -9.1 | 0 | 0 | 0 | 110 | | |
| 861 | R | 26.6 | Very low | 28.7 | Very low | 183 Ų | 183 | 151.7 Ų | 151.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | cis | -161.1 | 161 | -14.6 | -171.7 | 163 | -70.3 | -175.3 | 6.6 | 109.9 | | |
| 862 | C | 26.4 | Very low | 28.9 | Very low | 93 Ų | 93 | 151.3 Ų | 151.3 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | | | trans | -12 | 156.5 | 165 | -51 | 0 | 0 | 0 | 0 | 119.9 | | |
| 863 | Y | 27.3 | Very low | 29.4 | Very low | 198 Ų | 198 | 146.4 Ų | 146.4 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | | -161 | 138.9 | 51.8 | -81.7 | -86.9 | 0 | 0 | 0 | 117.1 | | |
| 864 | S | 26.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 65.4 | 112.5 | 130.3 | -60.3 | 0 | 0 | 0 | 0 | 125 | | |
| 865 | T | 27.3 | Very low | 29 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | -59.1 | -175.9 | 139.4 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 866 | P | 38.6 | Very low | 29 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | cis | -148.8 | -160.2 | 21.7 | 44.9 | -22.5 | 0 | 0 | 0 | 117.6 | | |
| 867 | S | 24 | Very low | 29 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | 115.9 | 131.9 | 140.4 | -153.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 868 | M | 25.6 | Very low | 28.9 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | cis | -164.7 | 150.5 | -11.1 | -115.7 | 173.4 | 40.6 | 0 | 0 | 112 | | |
| 869 | Y | 25.2 | Very low | 28.6 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | trans | 69.6 | 132.1 | 155.6 | -72.7 | -150.7 | 0 | 0 | 0 | 117.6 | | |
| 870 | F | 27.2 | Very low | 28.2 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | | | cis | 88.8 | 104.3 | 49.3 | -105.8 | -78.7 | 0 | 0 | 0 | 114 | | |
| 871 | E | 27.1 | Very low | 28.1 | Very low | 188 Ų | 188 | 155 Ų | 155 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | | 173.5 | 156.2 | 126.3 | -94.1 | 167.8 | -174.6 | 0 | 0 | 112.3 | | |
| 872 | L | 33.5 | Very low | 28 | Very low | 165 Ų | 165 | 152 Ų | 152 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -129.5 | 158.8 | 171.2 | -82.5 | 169.7 | 0 | 0 | 0 | 106.2 | | |
| 873 | P | 38.3 | Very low | 28 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -144.5 | -174.3 | 31.6 | 43.6 | -23.8 | 0 | 0 | 0 | 116.9 | | |
| 874 | D | 28.7 | Very low | 28 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 27.5 | 122.7 | 149.8 | -51.7 | -25.6 | 0 | 0 | 0 | 122.3 | | |
| 875 | S | 25.8 | Very low | 28 | Very low | 103 Ų | 103 | 157.3 Ų | 157.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | | 177.1 | 169.2 | 122.8 | 41.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 876 | F | 29.7 | Very low | 28 | Very low | 203 Ų | 203 | 160.2 Ų | 160.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | 79.8 | 111.2 | 172.8 | -65.2 | -82.2 | 0 | 0 | 0 | 119.4 | | |
| 877 | Q | 30.2 | Very low | 27.6 | Very low | 171 Ų | 171 | 163.1 Ų | 163.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -88.8 | 151.3 | 167.6 | -75.8 | -88.2 | 3.3 | 0 | 0 | 111.3 | | |
| 878 | H | 27.4 | Very low | 27.8 | Very low | 171 Ų | 171 | 165.3 Ų | 165.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | -165.1 | 130.4 | 133.7 | -96.3 | -27.3 | 0 | 0 | 0 | 113.4 | | |
| 879 | Y | 23.9 | Very low | 27.9 | Very low | 214 Ų | 214 | 166.8 Ų | 166.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | 28.5 | 110 | 154.7 | -71.8 | -84.7 | 0 | 0 | 0 | 119.8 | | |
| 880 | R | 25.3 | Very low | 28.1 | Very low | 246 Ų | 246 | 164.1 Ų | 164.1 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | | | trans | -122.3 | 129 | 144.1 | -148.3 | 173.9 | -169.9 | -176.9 | 1.3 | 109 | | |
| 881 | S | 25.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 161.3 Ų | 161.3 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | -63.5 | 137.4 | -179.9 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | F883 | S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.17Å |
| 882 | V | 24.4 | Very low | 28.1 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | -80.8 | 81.5 | 171.8 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | Y884 | V882-Y884 HydrophobicContact CG1-CE2 4.42Š|
| 883 | F | 26.6 | Very low | 27.7 | Very low | 182 Ų | 182 | 158.2 Ų | 158.2 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -87.5 | 118.2 | 157.2 | -80.6 | -75.7 | 0 | 0 | 0 | 108.5 | S881 S885 | S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.17Å; F883-S885 PolarHBondContact O-N 3.48Å |
| 884 | Y | 27.1 | Very low | 27.3 | Very low | 207 Ų | 207 | 157.7 Ų | 157.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -59.2 | 119.8 | 165.2 | -80.5 | -96.9 | 0 | 0 | 0 | 108.3 | V882 F886 | V882-Y884 HydrophobicContact CG1-CE2 4.42Å; Y884-F886 PolarHBondContact O-N 3.22Å |
| 885 | S | 26.5 | Very low | 27.3 | Very low | 118 Ų | 118 | 158 Ų | 158 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -69.5 | 85.4 | 165 | 52.9 | 0 | 0 | 0 | 0 | 108.2 | F883 E887 | F883-S885 PolarHBondContact O-N 3.48Å; S885-E887 PolarHBondContact O-N 2.93Å |
| 886 | F | 27.9 | Very low | 27.3 | Very low | 196 Ų | 196 | 163 Ų | 163 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -61.8 | 124.4 | 166.2 | -138.2 | -87.1 | 0 | 0 | 0 | 107 | Y884 E888 | Y884-F886 PolarHBondContact O-N 3.22Å; F886-E888 PolarHBondContact O-N 3.48Å |
| 887 | E | 30.2 | Very low | 27.4 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | -76.4 | 93.4 | -174.2 | -160.2 | 155.9 | -146.1 | 0 | 0 | 108.2 | S885 Q889 | S885-E887 PolarHBondContact O-N 2.93Å; E887-Q889 PolarHBondContact O-N 2.88Å |
| 888 | E | 27.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -69.9 | 88.6 | -166.1 | -164 | -175.1 | 162.3 | 0 | 0 | 111.3 | F886 H890 | F886-E888 PolarHBondContact O-N 3.48Å; E888-H890 VanDerWaalsContact C-N 3.32Å; E888-H890 PolarHBondContact O-N 3.34Å; E888-H890 IonicContact OE1-CE1 3.52Å; E888-H890 PolarHBondContact OE1-CE1 3.48Å; E888-H890 VanDerWaalsContact OE1-CE1 3.32Å; E888-H890 IonicContact OE1-ND1 2.68Å; E888-H890 PolarHBondContact OE1-ND1 2.87Å; E888-H890 VanDerWaalsContact OE1-ND1 3.16Å; E888-H890 IonicContact OE2-CE1 3.66Å |
| 889 | Q | 28.6 | Very low | 27.6 | Very low | 168 Ų | 168 | 153.5 Ų | 153.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -65 | 94 | 167.3 | -66.3 | -174.6 | 0.8 | 0 | 0 | 108.6 | E887 I891 | E887-Q889 PolarHBondContact O-N 2.88Å; Q889-I891 VanDerWaalsContact C-N 3.32Å; Q889-I891 PolarHBondContact O-N 3.45Å |
| 890 | H | 29.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 152.5 Ų | 152.5 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | trans | -63.2 | 89.4 | 177.2 | -64.1 | -52.9 | 0 | 0 | 0 | 111 | E888 S892 | E888-H890 VanDerWaalsContact C-N 3.32Å; E888-H890 PolarHBondContact O-N 3.34Å; E888-H890 IonicContact OE1-CE1 3.52Å; E888-H890 PolarHBondContact OE1-CE1 3.48Å; E888-H890 VanDerWaalsContact OE1-CE1 3.32Å; E888-H890 IonicContact OE1-ND1 2.68Å; E888-H890 PolarHBondContact OE1-ND1 2.87Å; E888-H890 VanDerWaalsContact OE1-ND1 3.16Å; E888-H890 IonicContact OE2-CE1 3.66Å; H890-S892 PolarHBondContact O-N 3.05Å |
| 891 | I | 27.3 | Very low | 28.5 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 67% | 0.672 | 75% | 0.747 | S | S | * | * | | | trans | -73.9 | 80.9 | 166 | -57.2 | 177.8 | 0 | 0 | 0 | 107.3 | Q889 F893 | Q889-I891 VanDerWaalsContact C-N 3.32Å; Q889-I891 PolarHBondContact O-N 3.45Å; I891-F893 HydrophobicContact CG2-CD2 3.89Å; I891-F893 HydrophobicContact CG2-CE2 3.74Å; I891-F893 PolarHBondContact O-N 2.9Å |
| 892 | S | 27 | Very low | 28.7 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -68.4 | 91 | 177 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | H890 A894 | H890-S892 PolarHBondContact O-N 3.05Å; S892-A894 PolarHBondContact O-N 3.1Å |
| 893 | F | 25.6 | Very low | 29.1 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 80% | 0.803 | 76% | 0.757 | S | S | * | * | | | trans | -65.5 | 83.9 | 166.7 | -88.8 | -84.2 | 0 | 0 | 0 | 110.5 | I891 L895 | I891-F893 HydrophobicContact CG2-CD2 3.89Å; I891-F893 HydrophobicContact CG2-CE2 3.74Å; I891-F893 PolarHBondContact O-N 2.9Å; F893-L895 PolarHBondContact O-N 2.84Å |
| 894 | A | 29.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | | | trans | -71.5 | 93.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S892 Y896 | S892-A894 PolarHBondContact O-N 3.1Å; A894-Y896 PolarHBondContact O-N 3.43Å |
| 895 | L | 27.7 | Very low | 29.2 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | -64.5 | 103.9 | 166.3 | -71.3 | 175.4 | 0 | 0 | 0 | 108.7 | F893 V897 | F893-L895 PolarHBondContact O-N 2.84Å; L895-V897 VanDerWaalsContact C-N 3.29Å; L895-V897 PolarHBondContact O-N 3.1Å |
| 896 | Y | 26.7 | Very low | 29.4 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | | | trans | -73.6 | 85.1 | 174 | -165.4 | -87.2 | 0 | 0 | 0 | 108.9 | A894 D898 | A894-Y896 PolarHBondContact O-N 3.43Å; Y896-D898 PolarHBondContact O-N 2.99Å |
| 897 | V | 32.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | | | trans | -76.4 | 111.5 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 108 | L895 N899 | L895-V897 VanDerWaalsContact C-N 3.29Å; L895-V897 PolarHBondContact O-N 3.1Å; V897-N899 PolarHBondContact O-N 3.41Å |
| 898 | D | 31.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | trans | -57.6 | 127.2 | 171.1 | -92.5 | -54.6 | 0 | 0 | 0 | 110.3 | Y896 | Y896-D898 PolarHBondContact O-N 2.99Š|
| 899 | N | 29.9 | Very low | 29.3 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | | | trans | -154.6 | 98.8 | 170.5 | -122.9 | -85.4 | 0 | 0 | 0 | 110.9 | V897 | V897-N899 PolarHBondContact O-N 3.41Š|
| 900 | R | 35.2 | Very low | 29.3 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | | | trans | -99.6 | 126.1 | 163.6 | -67.1 | -173.5 | -179.8 | -163.1 | -0.6 | 107.9 | | |
| 901 | F | 32.6 | Very low | 29.2 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | | | trans | 74.2 | 64.3 | 176.9 | -52.3 | -74.9 | 0 | 0 | 0 | 117.7 | | |
| 902 | F | 28.9 | Very low | 29.3 | Very low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | -110.9 | 111.8 | 140.5 | -102.2 | -87.8 | 0 | 0 | 0 | 110.1 | L904 | F902-L904 VanDerWaalsContact C-N 3.33Å; F902-L904 PolarHBondContact O-N 2.87Å |
| 903 | T | 32.7 | Very low | 29.3 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -80.3 | 79.1 | 173.7 | 48 | 0 | 0 | 0 | 0 | 110.3 | T905 | T903-T905 PolarHBondContact O-N 3.14Š|
| 904 | L | 28.2 | Very low | 29.5 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | -71.8 | 112.6 | 172 | -90.2 | 165.5 | 0 | 0 | 0 | 110.9 | F902 V906 | F902-L904 VanDerWaalsContact C-N 3.33Å; F902-L904 PolarHBondContact O-N 2.87Å; L904-V906 PolarHBondContact O-N 3.5Å |
| 905 | T | 29.2 | Very low | 29.4 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | trans | -63.8 | 114.3 | 162.8 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | T903 T907 | T903-T905 PolarHBondContact O-N 3.14Å; T905-T907 PolarHBondContact O-N 2.84Å |
| 906 | V | 29.4 | Very low | 29.4 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | | | trans | -72 | 91.1 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L904 S908 | L904-V906 PolarHBondContact O-N 3.5Å; V906-S908 PolarHBondContact O-N 3.02Å |
| 907 | T | 29.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | | | trans | -76.3 | 100.7 | 165 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | T905 L909 | T905-T907 PolarHBondContact O-N 2.84Å; T907-L909 PolarHBondContact O-N 3.21Å |
| 908 | S | 26.7 | Very low | 29.5 | Very low | 92 Ų | 92 | 142 Ų | 142 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | trans | -70.5 | 95.3 | 179.5 | -171 | 0 | 0 | 0 | 0 | 111.6 | V906 H910 | V906-S908 PolarHBondContact O-N 3.02Å; S908-H910 PolarHBondContact O-N 3.44Å |
| 909 | L | 28.1 | Very low | 29.5 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -86.2 | 93.6 | 172.5 | -84.7 | 166.3 | 0 | 0 | 0 | 110.3 | T907 L911 | T907-L909 PolarHBondContact O-N 3.21Å; L909-L911 VanDerWaalsContact C-N 3.29Å; L909-L911 PolarHBondContact O-N 3.28Å |
| 910 | H | 28.6 | Very low | 30.1 | Very low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -67.8 | 82.6 | 168.2 | -89.5 | -91.2 | 0 | 0 | 0 | 111.2 | S908 V912 | S908-H910 PolarHBondContact O-N 3.44Å; H910-V912 PolarHBondContact O-N 2.95Å; H910-V912 VanDerWaalsContact O-N 3.16Å |
| 911 | L | 27.6 | Very low | 30.1 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -79.2 | 92.1 | 169.1 | -91.8 | 165.3 | 0 | 0 | 0 | 110.6 | L909 F913 | L909-L911 VanDerWaalsContact C-N 3.29Å; L909-L911 PolarHBondContact O-N 3.28Å; L911-F913 PolarHBondContact O-N 3.12Å |
| 912 | V | 28.2 | Very low | 30 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -72.1 | 102.8 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | H910 Q914 | H910-V912 PolarHBondContact O-N 2.95Å; H910-V912 VanDerWaalsContact O-N 3.16Å; V912-Q914 PolarHBondContact O-N 3.28Å; V912-Q914 VanDerWaalsContact O-N 3.11Å |
| 913 | F | 28.1 | Very low | 30.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 95.8 | 168.6 | -95.8 | -85.7 | 0 | 0 | 0 | 110.6 | L911 M915 | L911-F913 PolarHBondContact O-N 3.12Å; F913-M915 PolarHBondContact O-N 2.97Å |
| 914 | Q | 29.2 | Very low | 29.9 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -82.3 | 103.8 | 174.6 | -167.7 | 172.4 | 15.5 | 0 | 0 | 110.1 | V912 G916 | V912-Q914 PolarHBondContact O-N 3.28Å; V912-Q914 VanDerWaalsContact O-N 3.11Å; Q914-G916 PolarHBondContact O-N 3.17Å |
| 915 | M | 27.5 | Very low | 30 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -65.2 | 89.4 | 175 | -83.9 | -92.4 | -76.9 | 0 | 0 | 111.5 | F913 V917 | F913-M915 PolarHBondContact O-N 2.97Å; M915-V917 PolarHBondContact O-N 3.21Å; M915-V917 VanDerWaalsContact O-N 3.1Å |
| 916 | G | 27.6 | Very low | 30.1 | Very low | 66 Ų | 66 | 147.1 Ų | 147.1 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | -75.3 | 89 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q914 I918 | Q914-G916 PolarHBondContact O-N 3.17Å; G916-I918 PolarHBondContact O-N 3.37Å |
| 917 | V | 31.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 113.2 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | M915 F919 | M915-V917 PolarHBondContact O-N 3.21Å; M915-V917 VanDerWaalsContact O-N 3.1Å; V917-F919 HydrophobicContact CG1-CD2 3.96Å; V917-F919 HydrophobicContact CG1-CE2 3.77Å |
| 918 | I | 30.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -102.7 | 113.9 | 171.6 | -60.4 | 178.7 | 0 | 0 | 0 | 108.6 | G916 | G916-I918 PolarHBondContact O-N 3.37Š|
| 919 | F | 30.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | | | trans | -79.5 | 131.8 | 168.3 | -79.9 | -97.5 | 0 | 0 | 0 | 110.2 | V917 Q921 | V917-F919 HydrophobicContact CG1-CD2 3.96Å; V917-F919 HydrophobicContact CG1-CE2 3.77Å; F919-Q921 PolarHBondContact O-N 3.35Å |
| 920 | P | 42.6 | Very low | 30.6 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -82.1 | 95.7 | 166.7 | 32 | -31.1 | 0 | 0 | 0 | 110.9 | | |
| 921 | Q | 35.6 | Very low | 30.8 | Very low | 265 Ų | 265 | 154.3 Ų | 154.3 | 100% | 1.238 | 81% | 0.812 | S | S | * | * | | | trans | 69.5 | 0 | 175.4 | -65.6 | -172 | -16.3 | 0 | 0 | 117.3 | F919 | F919-Q921 PolarHBondContact O-N 3.35Š|