| 1 | M | 44.2 | Very low | 56.5 | Low | 212 Ų | 212 | 132.2 Ų | 132.2 | 100% | 1.044 | 70% | 0.7 | S | S | * | * | | | | 0 | 117.3 | 0 | -68 | 168 | 74.9 | 0 | 0 | 109 | K3 | M1-K3 PolarHBondContact O-N 3.45Š|
| 2 | H | 42.4 | Very low | 59.6 | Low | 194 Ų | 194 | 134.9 Ų | 134.9 | 90% | 0.898 | 70% | 0.696 | S | S | * | * | | | trans | -72.6 | 96.9 | 175.1 | -81.7 | -97.3 | 0 | 0 | 0 | 110.6 | S4 | H2-S4 VanDerWaalsContact C-N 3.26Å; H2-S4 PolarHBondContact O-N 2.73Å; H2-S4 VanDerWaalsContact O-N 3.12Å |
| 3 | K | 46.9 | Very low | 62.3 | Low | 151 Ų | 151 | 140.4 Ų | 140.4 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | | | trans | -84.3 | 73.9 | 171.1 | -165.8 | 166.9 | -174 | 170 | 0 | 108.5 | M1 R5 | M1-K3 PolarHBondContact O-N 3.45Å; K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 3.14Å |
| 4 | S | 47.9 | Very low | 64.7 | Low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | | | trans | -60.2 | 92.3 | 176.6 | 40.3 | 0 | 0 | 0 | 0 | 110.2 | H2 S6 | H2-S4 VanDerWaalsContact C-N 3.26Å; H2-S4 PolarHBondContact O-N 2.73Å; H2-S4 VanDerWaalsContact O-N 3.12Å; S4-S6 PolarHBondContact O-N 3.19Å |
| 5 | R | 42.8 | Very low | 66.9 | Low | 164 Ų | 164 | 130 Ų | 130 | 62% | 0.619 | 65% | 0.65 | S | S | * | * | | | trans | -72.4 | 91.6 | 177.5 | -82.8 | 168.2 | 144.7 | 158 | -7.7 | 109.4 | K3 R7 | K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 3.14Å; R5-R7 HydrophobicContact CB-CB 4.09Å; R5-R7 HydrophobicContact CB-CG 4.05Å; R5-R7 HydrophobicContact CG-CG 4.34Å; R5-R7 PolarHBondContact O-N 3.02Å |
| 6 | S | 46.3 | Very low | 68.7 | Low | 80 Ų | 80 | 125.5 Ų | 125.5 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | | | | -56.2 | 100.1 | 128.9 | 173.3 | 0 | 0 | 0 | 0 | 105.2 | S4 S9 | S4-S6 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S6-S9 VanDerWaalsContact OG-OG 3.09Å |
| 7 | R | 52.6 | Low | 70.5 | Confident | 197 Ų | 197 | 118.2 Ų | 118.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | | | trans | -87.7 | -0.3 | -169.6 | -141.4 | 163.3 | 180 | 158 | -9.3 | 111.6 | R5 | R5-R7 HydrophobicContact CB-CB 4.09Å; R5-R7 HydrophobicContact CB-CG 4.05Å; R5-R7 HydrophobicContact CG-CG 4.34Å; R5-R7 PolarHBondContact O-N 3.02Å |
| 8 | T | 54.4 | Low | 72 | Confident | 130 Ų | 130 | 114.8 Ų | 114.8 | 80% | 0.798 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -120.6 | -29.9 | -158.6 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 9 | S | 67.4 | Low | 73.3 | Confident | 68 Ų | 68 | 109.6 Ų | 109.6 | 48% | 0.476 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -80 | -20.9 | -170.3 | 55.1 | 0 | 0 | 0 | 0 | 115.5 | S6 V11 | S6-S9 PolarHBondContact OG-OG 3.25Å; S6-S9 VanDerWaalsContact OG-OG 3.09Å; S9-V11 PolarHBondContact O-N 3.44Å |
| 10 | G | 85.5 | Confident | 74.6 | Confident | 56 Ų | 56 | 108.2 Ų | 108.2 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | | | trans | 64.9 | 2.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y12 | G10-Y12 WeakPolarHBondContact O-CD2 3.42Å; G10-Y12 WeakPolarHBondContact O-CE2 3.47Å |
| 11 | V | 91.6 | Very high | 75.6 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | | | trans | -89.5 | 127.7 | -178.9 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | S9 L50 | S9-V11 PolarHBondContact O-N 3.44Å; V11-L50 HydrophobicContact CB-CD1 4.49Å; V11-L50 HydrophobicContact CG1-CD1 3.9Å; V11-L50 HydrophobicContact CG2-CD1 3.74Å |
| 12 | Y | 93.4 | Very high | 78.2 | Confident | 165 Ų | 165 | 103.1 Ų | 103.1 | 65% | 0.647 | 52% | 0.516 | S | S | * | . | | | trans | -113.9 | 142.1 | -179.6 | -61.1 | -85 | 0 | 0 | 0 | 111 | G10 V14 W33 | G10-Y12 WeakPolarHBondContact O-CD2 3.42Å; G10-Y12 WeakPolarHBondContact O-CE2 3.47Å; Y12-V14 PolarHBondContact O-N 3.11Å; Y12-W33 VanDerWaalsContact CB-CZ3 3.44Å; Y12-W33 HydrophobicContact CG-CZ3 4.48Å |
| 13 | R | 94.6 | Very high | 80.7 | Confident | 206 Ų | 206 | 101 Ų | 101 | 78% | 0.777 | 50% | 0.5 | S | S | * | . | | | trans | -74.5 | 120.1 | 178.5 | -73.8 | -175.3 | 172.2 | -175 | -3.6 | 110.8 | K34 | R13-K34 HydrophobicContact CB-CB 4.04Å; R13-K34 HydrophobicContact CB-CD 4.48Å; R13-K34 VanDerWaalsContact O-CB 3.26Å; R13-K34 WeakPolarHBondContact O-CB 3.47Å; R13-K34 PolarHBondContact O-N 3.31Å |
| 14 | V | 96.4 | Very high | 82.9 | Confident | 33 Ų | 33 | 97.1 Ų | 97.1 | 20% | 0.2 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 149.1 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | Y12 H16 L17 V31 W33 L54 | Y12-V14 PolarHBondContact O-N 3.11Å; V14-H16 WeakPolarHBondContact CG1-O 3.35Å; V14-L17 HydrophobicContact CG1-CD2 4.33Å; V14-V31 HydrophobicContact CB-CG1 4.24Å; V14-V31 HydrophobicContact CG1-CG1 3.82Å; V14-V31 HydrophobicContact CG2-CG1 3.61Å; V14-W33 HydrophobicContact CG2-CE3 4.09Å; V14-W33 HydrophobicContact CG2-CZ3 3.71Å; V14-L54 HydrophobicContact CB-CD1 3.8Å; V14-L54 HydrophobicContact CG1-CD1 3.84Å; V14-L54 HydrophobicContact CG1-CD2 4.23Å; V14-L54 HydrophobicContact CG2-CD1 4.2Å |
| 15 | E | 96.4 | Very high | 85.1 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -53.7 | 168.3 | -166.8 | -164.4 | 109.4 | 0 | 0 | 110.2 | K32 K34 | E15-K32 HydrophobicContact CB-CB 4.28Å; E15-K32 HydrophobicContact CB-CG 3.71Å; E15-K32 HydrophobicContact CG-CG 4.26Å; E15-K32 PolarHBondContact N-O 3.12Å; E15-K32 VanDerWaalsContact OE2-CE 3.26Å; E15-K32 WeakPolarHBondContact OE2-CE 3.43Å; E15-K34 HydrophobicContact CB-CB 4.3Å |
| 16 | H | 97 | Very high | 87.6 | Confident | 58 Ų | 58 | 98.2 Ų | 98.2 | 27% | 0.269 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 171.5 | 172.6 | 62 | -92.2 | 0 | 0 | 0 | 111.2 | V14 K32 | V14-H16 WeakPolarHBondContact CG1-O 3.35Å; H16-K32 WeakPolarHBondContact O-CB 3.4Å; H16-K32 PolarHBondContact O-N 3.17Å |
| 17 | L | 98.1 | Very high | 90 | Very high | 2 Ų | 2 | 95.8 Ų | 95.8 | 1% | 0.01 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.9 | 167.3 | -49.7 | 178.6 | 0 | 0 | 0 | 109.9 | V14 Y29 V31 I49 L54 I55 F58 R61 | V14-L17 HydrophobicContact CG1-CD2 4.33Å; L17-Y29 HydrophobicContact CD1-CD1 3.72Å; L17-Y29 HydrophobicContact CD1-CE1 4.27Å; L17-Y29 HydrophobicContact CD1-CG 3.89Å; L17-V31 HydrophobicContact CD2-CG2 3.95Å; L17-I49 HydrophobicContact CD1-CG2 4.39Å; L17-I49 HydrophobicContact CD2-CD1 4.06Å; L17-L54 HydrophobicContact CD1-CB 4.14Å; L17-L54 WeakPolarHBondContact CD1-O 3.5Å; L17-L54 HydrophobicContact CG-CB 4.09Å; L17-I55 HydrophobicContact CD1-CG1 4.07Å; L17-F58 HydrophobicContact CB-CB 3.97Å; L17-F58 HydrophobicContact CB-CD2 3.99Å; L17-F58 HydrophobicContact CB-CG 4Å; L17-F58 HydrophobicContact CD1-CB 4.25Å; L17-F58 WeakPolarHBondContact O-CD2 3.41Å; L17-R61 PolarHBondContact O-NH1 3.46Å |
| 18 | V | 97.5 | Very high | 92.2 | Very high | 57 Ų | 57 | 86.9 Ų | 86.9 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -32.5 | -172.8 | -175 | 0 | 0 | 0 | 0 | 111.7 | L30 K32 | V18-L30 HydrophobicContact CB-CB 4.29Å; V18-L30 HydrophobicContact CB-CD2 4.09Å; V18-L30 HydrophobicContact CB-CG 4.06Å; V18-L30 HydrophobicContact CG1-CD2 4.08Å; V18-L30 PolarHBondContact N-O 3.16Å; V18-K32 HydrophobicContact CG2-CB 3.74Å |
| 19 | G | 97.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 80.7 Ų | 80.7 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 168.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y29 L30 F58 | G19-Y29 CarbonylContact O-C 3.59Å; G19-Y29 VanDerWaalsContact O-CA 3.28Å; G19-Y29 WeakPolarHBondContact O-CA 2.86Å; G19-L30 PolarHBondContact O-N 2.89Å; G19-F58 VanDerWaalsContact C-CZ 3.46Å |
| 20 | K | 97.8 | Very high | 95.8 | Very high | 80 Ų | 80 | 79 Ų | 79 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138 | 177.6 | 177.1 | 174.8 | -177 | 145.5 | 0 | 109.2 | V27 E28 Y29 F58 E59 | K20-V27 HydrophobicContact CD-CG1 4.25Å; K20-V27 HydrophobicContact CG-CG1 4.02Å; K20-E28 WeakPolarHBondContact CA-O 3.35Å; K20-Y29 HydrophobicContact CB-CD1 3.9Å; K20-Y29 HydrophobicContact CB-CE1 3.93Å; K20-Y29 HydrophobicContact CD-CD1 4.44Å; K20-Y29 HydrophobicContact CD-CE1 3.63Å; K20-Y29 HydrophobicContact CG-CD1 4.15Å; K20-Y29 HydrophobicContact CG-CE1 3.82Å; K20-Y29 PolarHBondContact NZ-OH 3.48Å; K20-F58 HydrophobicContact CB-CE1 3.49Å; K20-F58 VanDerWaalsContact CB-CE1 3.49Å; K20-F58 HydrophobicContact CB-CZ 3.81Å; K20-F58 HydrophobicContact CD-CE1 4.31Å; K20-E59 IonicContact NZ-OE1 2.73Å; K20-E59 PolarHBondContact NZ-OE1 3.29Å |
| 21 | R | 97.5 | Very high | 96.4 | Very high | 87 Ų | 87 | 76.4 Ų | 76.4 | 33% | 0.328 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 165.8 | 172.5 | 76.9 | -175.1 | -175.3 | -166.5 | -2.3 | 110.5 | E28 W43 | R21-E28 HydrophobicContact CG-CB 4.01Å; R21-E28 IonicContact CZ-OE2 2.91Å; R21-E28 PolarHBondContact N-O 3.37Å; R21-E28 IonicContact NE-OE2 2.67Å; R21-E28 PolarHBondContact NE-OE2 3.29Å; R21-E28 IonicContact NH2-OE2 3.02Å; R21-E28 PolarHBondContact NH2-OE2 2.75Å; R21-E28 PolarHBondContact O-N 2.69Å; R21-W43 HydrophobicContact CB-CE3 4.38Å; R21-W43 HydrophobicContact CB-CH2 3.88Å; R21-W43 HydrophobicContact CB-CZ3 3.73Å; R21-W43 HydrophobicContact CG-CD2 4.23Å; R21-W43 HydrophobicContact CG-CE3 3.6Å; R21-W43 HydrophobicContact CG-CH2 3.96Å; R21-W43 HydrophobicContact CG-CZ3 3.47Å; R21-W43 VanDerWaalsContact CG-CZ3 3.47Å |
| 22 | I | 97.2 | Very high | 96.7 | Very high | 128 Ų | 128 | 73 Ų | 73 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.7 | 171.1 | -57.6 | 175.1 | 0 | 0 | 0 | 107.5 | R26 | I22-R26 CarbonylContact C-O 3.54Å; I22-R26 WeakPolarHBondContact CA-O 3.26Å |
| 23 | R | 96.2 | Very high | 96.8 | Very high | 150 Ų | 150 | 67 Ų | 67 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 118.5 | 179.1 | -170.8 | 173.1 | 67.9 | 131.5 | 0.9 | 109.4 | S25 R26 E28 | R23-S25 PolarHBondContact O-N 3.22Å; R23-R26 PolarHBondContact N-O 2.93Å; R23-R26 PolarHBondContact O-N 2.81Å; R23-R26 VanDerWaalsContact O-N 3.1Å; R23-E28 IonicContact CZ-OE1 3.94Å; R23-E28 IonicContact CZ-OE2 3.14Å; R23-E28 VanDerWaalsContact NE-CD 3.34Å; R23-E28 IonicContact NE-OE1 2.74Å; R23-E28 PolarHBondContact NE-OE1 2.91Å; R23-E28 IonicContact NE-OE2 2.7Å; R23-E28 PolarHBondContact NE-OE2 3.04Å; R23-E28 IonicContact NH2-OE1 3.78Å; R23-E28 PolarHBondContact NH2-OE1 2.67Å; R23-E28 IonicContact NH2-OE2 2.71Å |
| 24 | G | 91.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 54.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R26 | G24-R26 PolarHBondContact O-N 2.88Š|
| 25 | S | 93.9 | Very high | 96.9 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 83% | 0.832 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -2.7 | -171 | 71 | 0 | 0 | 0 | 0 | 118 | R23 | R23-S25 PolarHBondContact O-N 3.22Š|
| 26 | R | 96.1 | Very high | 96.9 | Very high | 181 Ų | 181 | 67.8 Ų | 67.8 | 68% | 0.683 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.4 | 176.2 | -64 | 178 | 179.9 | 172.1 | 0.4 | 111.4 | I22 R23 G24 | I22-R26 CarbonylContact C-O 3.54Å; I22-R26 WeakPolarHBondContact CA-O 3.26Å; R23-R26 PolarHBondContact N-O 2.93Å; R23-R26 PolarHBondContact O-N 2.81Å; R23-R26 VanDerWaalsContact O-N 3.1Å; G24-R26 PolarHBondContact O-N 2.88Å |
| 27 | V | 97.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 67.4 Ų | 67.4 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.2 | 168 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | K20 Y29 P45 E46 | K20-V27 HydrophobicContact CD-CG1 4.25Å; K20-V27 HydrophobicContact CG-CG1 4.02Å; V27-Y29 HydrophobicContact CG1-CD2 4.12Å; V27-Y29 HydrophobicContact CG1-CE2 3.51Å; V27-P45 WeakPolarHBondContact O-CA 3.44Å; V27-E46 HydrophobicContact CB-CB 4.09Å; V27-E46 WeakPolarHBondContact CB-OE2 3.39Å; V27-E46 HydrophobicContact CG1-CB 4.21Å; V27-E46 PolarHBondContact O-N 3.45Å |
| 28 | E | 98 | Very high | 96.8 | Very high | 11 Ų | 11 | 72.1 Ų | 72.1 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.9 | 172.1 | -64.1 | 173.9 | 168 | 0 | 0 | 108.9 | K20 R21 R23 W43 E44 | K20-E28 WeakPolarHBondContact CA-O 3.35Å; R21-E28 HydrophobicContact CG-CB 4.01Å; R21-E28 IonicContact CZ-OE2 2.91Å; R21-E28 PolarHBondContact N-O 3.37Å; R21-E28 IonicContact NE-OE2 2.67Å; R21-E28 PolarHBondContact NE-OE2 3.29Å; R21-E28 IonicContact NH2-OE2 3.02Å; R21-E28 PolarHBondContact NH2-OE2 2.75Å; R21-E28 PolarHBondContact O-N 2.69Å; R23-E28 IonicContact CZ-OE1 3.94Å; R23-E28 IonicContact CZ-OE2 3.14Å; R23-E28 VanDerWaalsContact NE-CD 3.34Å; R23-E28 IonicContact NE-OE1 2.74Å; R23-E28 PolarHBondContact NE-OE1 2.91Å; R23-E28 IonicContact NE-OE2 2.7Å; R23-E28 PolarHBondContact NE-OE2 3.04Å; R23-E28 IonicContact NH2-OE1 3.78Å; R23-E28 PolarHBondContact NH2-OE1 2.67Å; R23-E28 IonicContact NH2-OE2 2.71Å; E28-W43 HydrophobicContact CB-CE3 4.12Å; E28-W43 WeakPolarHBondContact O-CZ3 3.31Å; E28-E44 CarbonylContact C-O 3.57Å; E28-E44 VanDerWaalsContact CA-O 3.24Å; E28-E44 WeakPolarHBondContact CA-O 3.34Å |
| 29 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 141.4 | 175.5 | -64.3 | -89.5 | 0 | 0 | 0 | 110.7 | L17 G19 K20 V27 V31 W43 E44 E46 I49 I55 F58 | L17-Y29 HydrophobicContact CD1-CD1 3.72Å; L17-Y29 HydrophobicContact CD1-CE1 4.27Å; L17-Y29 HydrophobicContact CD1-CG 3.89Å; G19-Y29 CarbonylContact O-C 3.59Å; G19-Y29 VanDerWaalsContact O-CA 3.28Å; G19-Y29 WeakPolarHBondContact O-CA 2.86Å; K20-Y29 HydrophobicContact CB-CD1 3.9Å; K20-Y29 HydrophobicContact CB-CE1 3.93Å; K20-Y29 HydrophobicContact CD-CD1 4.44Å; K20-Y29 HydrophobicContact CD-CE1 3.63Å; K20-Y29 HydrophobicContact CG-CD1 4.15Å; K20-Y29 HydrophobicContact CG-CE1 3.82Å; K20-Y29 PolarHBondContact NZ-OH 3.48Å; V27-Y29 HydrophobicContact CG1-CD2 4.12Å; V27-Y29 HydrophobicContact CG1-CE2 3.51Å; Y29-V31 PolarHBondContact O-N 3.46Å; Y29-W43 VanDerWaalsContact C-CE3 3.44Å; Y29-W43 CarbonylContact O-C 2.92Å; Y29-W43 WeakPolarHBondContact O-CA 3.48Å; Y29-E44 PolarHBondContact N-O 3.05Å; Y29-E44 PolarHBondContact O-N 3.35Å; Y29-E46 HydrophobicContact CD2-CB 4.32Å; Y29-E46 HydrophobicContact CE2-CB 3.83Å; Y29-E46 HydrophobicContact CE2-CG 3.78Å; Y29-E46 VanDerWaalsContact CE2-OE1 3.23Å; Y29-E46 WeakPolarHBondContact CE2-OE1 3.39Å; Y29-E46 PolarHBondContact OH-OE1 3.41Å; Y29-I49 HydrophobicContact CD2-CG1 4.15Å; Y29-I55 HydrophobicContact CE1-CG2 4.31Å; Y29-I55 HydrophobicContact CE2-CD1 4.15Å; Y29-I55 HydrophobicContact CE2-CG1 4.13Å; Y29-I55 VanDerWaalsContact OH-CG2 3.31Å; Y29-I55 WeakPolarHBondContact OH-CG2 3.42Å; Y29-F58 HydrophobicContact CD1-CD1 4.11Å; Y29-F58 HydrophobicContact CD1-CE1 4.25Å; Y29-F58 AromaticContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CE1 4.13Å |
| 30 | L | 98.3 | Very high | 96.7 | Very high | 33 Ų | 33 | 81.5 Ų | 81.5 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.1 | 171.6 | -177.4 | 59.3 | 0 | 0 | 0 | 108.4 | V18 G19 N41 T42 W43 | V18-L30 HydrophobicContact CB-CB 4.29Å; V18-L30 HydrophobicContact CB-CD2 4.09Å; V18-L30 HydrophobicContact CB-CG 4.06Å; V18-L30 HydrophobicContact CG1-CD2 4.08Å; V18-L30 PolarHBondContact N-O 3.16Å; G19-L30 PolarHBondContact O-N 2.89Å; L30-N41 HydrophobicContact CD1-CB 3.73Å; L30-N41 WeakPolarHBondContact CD1-O 3.21Å; L30-N41 HydrophobicContact CG-CB 4.16Å; L30-T42 WeakPolarHBondContact CA-O 3.31Å; L30-W43 HydrophobicContact CB-CD2 3.99Å; L30-W43 HydrophobicContact CB-CE3 3.94Å; L30-W43 HydrophobicContact CB-CH2 3.8Å; L30-W43 HydrophobicContact CB-CZ2 3.85Å; L30-W43 HydrophobicContact CB-CZ3 3.83Å; L30-W43 HydrophobicContact CD1-CD2 4.24Å; L30-W43 HydrophobicContact CD1-CG 4.28Å; L30-W43 HydrophobicContact CD2-CZ2 4.15Å; L30-W43 HydrophobicContact CG-CZ2 4.41Å; L30-W43 VanDerWaalsContact N-CE3 3.35Å |
| 31 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.1 | -173 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | V14 L17 Y29 W33 N41 T42 E44 I49 | V14-V31 HydrophobicContact CB-CG1 4.24Å; V14-V31 HydrophobicContact CG1-CG1 3.82Å; V14-V31 HydrophobicContact CG2-CG1 3.61Å; L17-V31 HydrophobicContact CD2-CG2 3.95Å; Y29-V31 PolarHBondContact O-N 3.46Å; V31-W33 HydrophobicContact CB-CD2 4.47Å; V31-W33 HydrophobicContact CB-CH2 4.49Å; V31-W33 HydrophobicContact CB-CZ2 4.13Å; V31-W33 HydrophobicContact CG1-CD2 3.65Å; V31-W33 HydrophobicContact CG1-CE3 3.65Å; V31-W33 HydrophobicContact CG1-CG 4.33Å; V31-W33 HydrophobicContact CG1-CH2 3.86Å; V31-W33 HydrophobicContact CG1-CZ2 3.85Å; V31-W33 HydrophobicContact CG1-CZ3 3.74Å; V31-N41 WeakPolarHBondContact O-CA 3.24Å; V31-N41 VanDerWaalsContact O-CB 3.28Å; V31-N41 WeakPolarHBondContact O-CB 3.31Å; V31-N41 PolarHBondContact O-OD1 2.95Å; V31-T42 PolarHBondContact N-O 3.02Å; V31-E44 HydrophobicContact CB-CG 4.34Å; V31-E44 HydrophobicContact CG2-CB 3.8Å; V31-E44 HydrophobicContact CG2-CG 3.57Å; V31-I49 HydrophobicContact CG2-CD1 3.7Å |
| 32 | K | 97.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 77.5 Ų | 77.5 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.5 | 162.4 | 175.9 | 64.4 | 166.2 | -175.7 | 0 | 108.6 | E15 H16 V18 W36 D38 N41 | E15-K32 HydrophobicContact CB-CB 4.28Å; E15-K32 HydrophobicContact CB-CG 3.71Å; E15-K32 HydrophobicContact CG-CG 4.26Å; E15-K32 PolarHBondContact N-O 3.12Å; E15-K32 VanDerWaalsContact OE2-CE 3.26Å; E15-K32 WeakPolarHBondContact OE2-CE 3.43Å; H16-K32 WeakPolarHBondContact O-CB 3.4Å; H16-K32 PolarHBondContact O-N 3.17Å; V18-K32 HydrophobicContact CG2-CB 3.74Å; K32-W36 PolarHBondContact NZ-O 3.05Å; K32-D38 VanDerWaalsContact CD-OD1 3.25Å; K32-D38 WeakPolarHBondContact CD-OD1 3.44Å; K32-D38 WeakPolarHBondContact CE-OD1 3.42Å; K32-D38 VanDerWaalsContact NZ-CG 3.31Å; K32-D38 IonicContact NZ-OD1 3.78Å; K32-D38 PolarHBondContact NZ-OD1 3.25Å; K32-D38 IonicContact NZ-OD2 3.21Å; K32-D38 PolarHBondContact NZ-OD2 3.43Å; K32-N41 WeakPolarHBondContact CA-OD1 3.34Å; K32-N41 WeakPolarHBondContact CD-OD1 3.41Å |
| 33 | W | 97 | Very high | 96.8 | Very high | 39 Ų | 39 | 75.4 Ų | 75.4 | 15% | 0.148 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.8 | 178.3 | -64.2 | 114.9 | 0 | 0 | 0 | 111.3 | Y12 V14 V31 N35 W36 H40 T42 E44 | Y12-W33 VanDerWaalsContact CB-CZ3 3.44Å; Y12-W33 HydrophobicContact CG-CZ3 4.48Å; V14-W33 HydrophobicContact CG2-CE3 4.09Å; V14-W33 HydrophobicContact CG2-CZ3 3.71Å; V31-W33 HydrophobicContact CB-CD2 4.47Å; V31-W33 HydrophobicContact CB-CH2 4.49Å; V31-W33 HydrophobicContact CB-CZ2 4.13Å; V31-W33 HydrophobicContact CG1-CD2 3.65Å; V31-W33 HydrophobicContact CG1-CE3 3.65Å; V31-W33 HydrophobicContact CG1-CG 4.33Å; V31-W33 HydrophobicContact CG1-CH2 3.86Å; V31-W33 HydrophobicContact CG1-CZ2 3.85Å; V31-W33 HydrophobicContact CG1-CZ3 3.74Å; W33-N35 PolarHBondContact O-N 3.07Å; W33-W36 HydrophobicContact CB-CB 4.14Å; W33-W36 HydrophobicContact CB-CG 4.05Å; W33-W36 PolarHBondContact O-N 2.89Å; W33-W36 VanDerWaalsContact O-N 3.16Å; W33-H40 VanDerWaalsContact CD1-O 3.26Å; W33-T42 WeakPolarHBondContact CZ2-OG1 3.38Å; W33-T42 PolarHBondContact NE1-OG1 2.72Å; W33-E44 HydrophobicContact CH2-CG 4.07Å; W33-E44 HydrophobicContact CZ2-CG 3.76Å |
| 34 | K | 96.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 70.2 Ų | 70.2 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 126.5 | -175.6 | -179.4 | 159.7 | -176.9 | 159.1 | 0 | 111 | R13 E15 W36 | R13-K34 HydrophobicContact CB-CB 4.04Å; R13-K34 HydrophobicContact CB-CD 4.48Å; R13-K34 VanDerWaalsContact O-CB 3.26Å; R13-K34 WeakPolarHBondContact O-CB 3.47Å; R13-K34 PolarHBondContact O-N 3.31Å; E15-K34 HydrophobicContact CB-CB 4.3Å; K34-W36 VanDerWaalsContact O-CD1 3.26Å |
| 35 | N | 96.4 | Very high | 97 | Very high | 121 Ų | 121 | 68.4 Ų | 68.4 | 65% | 0.647 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 28.5 | -176.7 | -49.8 | -1.5 | 0 | 0 | 0 | 114.6 | W33 | W33-N35 PolarHBondContact O-N 3.07Š|
| 36 | W | 95.8 | Very high | 97.2 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -123.4 | 155.4 | 171.4 | -61.3 | 84.8 | 0 | 0 | 0 | 112 | K32 W33 K34 H40 | K32-W36 PolarHBondContact NZ-O 3.05Å; W33-W36 HydrophobicContact CB-CB 4.14Å; W33-W36 HydrophobicContact CB-CG 4.05Å; W33-W36 PolarHBondContact O-N 2.89Å; W33-W36 VanDerWaalsContact O-N 3.16Å; K34-W36 VanDerWaalsContact O-CD1 3.26Å; W36-H40 HydrophobicContact CB-CB 4.13Å; W36-H40 HydrophobicContact CE3-CB 4.49Å; W36-H40 AromaticContact CE3-CD2 3.59Å; W36-H40 AromaticContact CE3-CG 3.92Å; W36-H40 AromaticContact CE3-NE2 3.82Å |
| 37 | S | 97 | Very high | 97.1 | Very high | 49 Ų | 49 | 65.9 Ų | 65.9 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | | | trans | -66.6 | 161.2 | 172.3 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | E39 H40 | S37-E39 PolarHBondContact O-N 3.42Å; S37-H40 PolarHBondContact O-N 2.97Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-CD2 3.42Å |
| 38 | D | 96.3 | Very high | 97 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -66.7 | -16.8 | 179.3 | -65.5 | -55.3 | 0 | 0 | 0 | 114.1 | K32 H40 N41 | K32-D38 VanDerWaalsContact CD-OD1 3.25Å; K32-D38 WeakPolarHBondContact CD-OD1 3.44Å; K32-D38 WeakPolarHBondContact CE-OD1 3.42Å; K32-D38 VanDerWaalsContact NZ-CG 3.31Å; K32-D38 IonicContact NZ-OD1 3.78Å; K32-D38 PolarHBondContact NZ-OD1 3.25Å; K32-D38 IonicContact NZ-OD2 3.21Å; K32-D38 PolarHBondContact NZ-OD2 3.43Å; D38-H40 PolarHBondContact O-N 2.89Å; D38-N41 WeakPolarHBondContact CA-ND2 3.49Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 VanDerWaalsContact O-CG 3.22Å; D38-N41 PolarHBondContact O-N 3.42Å; D38-N41 PolarHBondContact O-ND2 2.97Å; D38-N41 PolarHBondContact OD1-ND2 3.47Å |
| 39 | E | 97.3 | Very high | 97 | Very high | 178 Ų | 178 | 68.2 Ų | 68.2 | 83% | 0.832 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.5 | 173.6 | -54.6 | 179 | 143 | 0 | 0 | 112.3 | S37 | S37-E39 PolarHBondContact O-N 3.42Š|
| 40 | H | 96.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 74.4 Ų | 74.4 | 43% | 0.426 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -91.9 | 0.5 | 177.2 | -62 | -63.7 | 0 | 0 | 0 | 113.9 | W33 W36 S37 D38 T42 | W33-H40 VanDerWaalsContact CD1-O 3.26Å; W36-H40 HydrophobicContact CB-CB 4.13Å; W36-H40 HydrophobicContact CE3-CB 4.49Å; W36-H40 AromaticContact CE3-CD2 3.59Å; W36-H40 AromaticContact CE3-CG 3.92Å; W36-H40 AromaticContact CE3-NE2 3.82Å; S37-H40 PolarHBondContact O-N 2.97Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-CD2 3.42Å; D38-H40 PolarHBondContact O-N 2.89Å; H40-T42 PolarHBondContact O-N 2.75Å; H40-T42 VanDerWaalsContact O-N 3.16Å |
| 41 | N | 97.6 | Very high | 96.7 | Very high | 27 Ų | 27 | 75.4 Ų | 75.4 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | | | trans | -66.2 | 114.8 | -176.4 | -66.1 | -13.1 | 0 | 0 | 0 | 110.8 | L30 V31 K32 D38 | L30-N41 HydrophobicContact CD1-CB 3.73Å; L30-N41 WeakPolarHBondContact CD1-O 3.21Å; L30-N41 HydrophobicContact CG-CB 4.16Å; V31-N41 WeakPolarHBondContact O-CA 3.24Å; V31-N41 VanDerWaalsContact O-CB 3.28Å; V31-N41 WeakPolarHBondContact O-CB 3.31Å; V31-N41 PolarHBondContact O-OD1 2.95Å; K32-N41 WeakPolarHBondContact CA-OD1 3.34Å; K32-N41 WeakPolarHBondContact CD-OD1 3.41Å; D38-N41 WeakPolarHBondContact CA-ND2 3.49Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 VanDerWaalsContact O-CG 3.22Å; D38-N41 PolarHBondContact O-N 3.42Å; D38-N41 PolarHBondContact O-ND2 2.97Å; D38-N41 PolarHBondContact OD1-ND2 3.47Å |
| 42 | T | 97.4 | Very high | 96.6 | Very high | 55 Ų | 55 | 83 Ų | 83 | 34% | 0.337 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 157.2 | -178 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | L30 V31 W33 H40 E44 | L30-T42 WeakPolarHBondContact CA-O 3.31Å; V31-T42 PolarHBondContact N-O 3.02Å; W33-T42 WeakPolarHBondContact CZ2-OG1 3.38Å; W33-T42 PolarHBondContact NE1-OG1 2.72Å; H40-T42 PolarHBondContact O-N 2.75Å; H40-T42 VanDerWaalsContact O-N 3.16Å; T42-E44 WeakPolarHBondContact CB-OE1 3.48Å; T42-E44 PolarHBondContact OG1-OE1 3.35Å |
| 43 | W | 97.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 90.1 Ų | 90.1 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 97.8 | 174.4 | -75.8 | 95.1 | 0 | 0 | 0 | 110.3 | R21 E28 Y29 L30 | R21-W43 HydrophobicContact CB-CE3 4.38Å; R21-W43 HydrophobicContact CB-CH2 3.88Å; R21-W43 HydrophobicContact CB-CZ3 3.73Å; R21-W43 HydrophobicContact CG-CD2 4.23Å; R21-W43 HydrophobicContact CG-CE3 3.6Å; R21-W43 HydrophobicContact CG-CH2 3.96Å; R21-W43 HydrophobicContact CG-CZ3 3.47Å; R21-W43 VanDerWaalsContact CG-CZ3 3.47Å; E28-W43 HydrophobicContact CB-CE3 4.12Å; E28-W43 WeakPolarHBondContact O-CZ3 3.31Å; Y29-W43 VanDerWaalsContact C-CE3 3.44Å; Y29-W43 CarbonylContact O-C 2.92Å; Y29-W43 WeakPolarHBondContact O-CA 3.48Å; L30-W43 HydrophobicContact CB-CD2 3.99Å; L30-W43 HydrophobicContact CB-CE3 3.94Å; L30-W43 HydrophobicContact CB-CH2 3.8Å; L30-W43 HydrophobicContact CB-CZ2 3.85Å; L30-W43 HydrophobicContact CB-CZ3 3.83Å; L30-W43 HydrophobicContact CD1-CD2 4.24Å; L30-W43 HydrophobicContact CD1-CG 4.28Å; L30-W43 HydrophobicContact CD2-CZ2 4.15Å; L30-W43 HydrophobicContact CG-CZ2 4.41Å; L30-W43 VanDerWaalsContact N-CE3 3.35Å |
| 44 | E | 96.9 | Very high | 96.6 | Very high | 40 Ų | 40 | 89.8 Ų | 89.8 | 19% | 0.187 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137.9 | 178.2 | -62.3 | -52.2 | 131.6 | 0 | 0 | 110.8 | E28 Y29 V31 W33 T42 N48 I49 | E28-E44 CarbonylContact C-O 3.57Å; E28-E44 VanDerWaalsContact CA-O 3.24Å; E28-E44 WeakPolarHBondContact CA-O 3.34Å; Y29-E44 PolarHBondContact N-O 3.05Å; Y29-E44 PolarHBondContact O-N 3.35Å; V31-E44 HydrophobicContact CB-CG 4.34Å; V31-E44 HydrophobicContact CG2-CB 3.8Å; V31-E44 HydrophobicContact CG2-CG 3.57Å; W33-E44 HydrophobicContact CH2-CG 4.07Å; W33-E44 HydrophobicContact CZ2-CG 3.76Å; T42-E44 WeakPolarHBondContact CB-OE1 3.48Å; T42-E44 PolarHBondContact OG1-OE1 3.35Å; E44-N48 HydrophobicContact CB-CB 4.16Å; E44-N48 PolarHBondContact OE2-ND2 3.09Å; E44-I49 HydrophobicContact CB-CD1 4.01Å |
| 45 | P | 96.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 86 Ų | 86 | 20% | 0.201 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 150.4 | 171.3 | 30.3 | -35.9 | 0 | 0 | 0 | 110.5 | V27 K47 N48 | V27-P45 WeakPolarHBondContact O-CA 3.44Å; P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.2Å; P45-K47 PolarHBondContact O-N 3.15Å; P45-N48 HydrophobicContact CG-CB 4.27Å; P45-N48 WeakPolarHBondContact O-CB 3.44Å; P45-N48 PolarHBondContact O-N 2.65Å |
| 46 | E | 96.7 | Very high | 96.7 | Very high | 72 Ų | 72 | 84.8 Ų | 84.8 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -48 | -39.6 | -177.6 | -177.4 | 150.9 | -116.6 | 0 | 0 | 113.9 | V27 Y29 N48 I49 I55 | V27-E46 HydrophobicContact CB-CB 4.09Å; V27-E46 WeakPolarHBondContact CB-OE2 3.39Å; V27-E46 HydrophobicContact CG1-CB 4.21Å; V27-E46 PolarHBondContact O-N 3.45Å; Y29-E46 HydrophobicContact CD2-CB 4.32Å; Y29-E46 HydrophobicContact CE2-CB 3.83Å; Y29-E46 HydrophobicContact CE2-CG 3.78Å; Y29-E46 VanDerWaalsContact CE2-OE1 3.23Å; Y29-E46 WeakPolarHBondContact CE2-OE1 3.39Å; Y29-E46 PolarHBondContact OH-OE1 3.41Å; E46-N48 PolarHBondContact O-N 2.64Å; E46-I49 PolarHBondContact O-N 3.25Å; E46-I55 HydrophobicContact CG-CD1 4.06Å |
| 47 | K | 95.6 | Very high | 96.8 | Very high | 175 Ų | 175 | 81.1 Ų | 81.1 | 76% | 0.761 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -64.1 | -15.5 | 177.1 | 66.1 | 157.6 | -165.7 | 159.5 | 0 | 115.9 | P45 | P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.2Å; P45-K47 PolarHBondContact O-N 3.15Å |
| 48 | N | 95.7 | Very high | 96.9 | Very high | 75 Ų | 75 | 79.1 Ų | 79.1 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -86.5 | -12.7 | 175.4 | -72.1 | 15.7 | 0 | 0 | 0 | 111.7 | E44 P45 E46 L50 | E44-N48 HydrophobicContact CB-CB 4.16Å; E44-N48 PolarHBondContact OE2-ND2 3.09Å; P45-N48 HydrophobicContact CG-CB 4.27Å; P45-N48 WeakPolarHBondContact O-CB 3.44Å; P45-N48 PolarHBondContact O-N 2.65Å; E46-N48 PolarHBondContact O-N 2.64Å; N48-L50 PolarHBondContact O-N 3.02Å |
| 49 | I | 96.7 | Very high | 96.9 | Very high | 13 Ų | 13 | 78.4 Ų | 78.4 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | | | trans | -87.6 | 86 | -178.8 | -48.5 | -56 | 0 | 0 | 0 | 109.4 | L17 Y29 V31 E44 E46 D51 L54 I55 | L17-I49 HydrophobicContact CD1-CG2 4.39Å; L17-I49 HydrophobicContact CD2-CD1 4.06Å; Y29-I49 HydrophobicContact CD2-CG1 4.15Å; V31-I49 HydrophobicContact CG2-CD1 3.7Å; E44-I49 HydrophobicContact CB-CD1 4.01Å; E46-I49 PolarHBondContact O-N 3.25Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.06Å; I49-L54 HydrophobicContact CG2-CB 4.06Å; I49-L54 HydrophobicContact CG2-CD1 4.15Å; I49-I55 HydrophobicContact CB-CD1 4.2Å; I49-I55 HydrophobicContact CB-CG1 4.32Å; I49-I55 HydrophobicContact CG2-CD1 4.27Å; I49-I55 HydrophobicContact CG2-CG1 3.93Å |
| 50 | L | 95.5 | Very high | 96.9 | Very high | 129 Ų | 129 | 76 Ų | 76 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | | | trans | -62.2 | -34.8 | -173.4 | -55.8 | -178 | 0 | 0 | 0 | 113.8 | V11 N48 | V11-L50 HydrophobicContact CB-CD1 4.49Å; V11-L50 HydrophobicContact CG1-CD1 3.9Å; V11-L50 HydrophobicContact CG2-CD1 3.74Å; N48-L50 PolarHBondContact O-N 3.02Å |
| 51 | D | 95.5 | Very high | 96.9 | Very high | 54 Ų | 54 | 76.6 Ų | 76.6 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | | | trans | -93 | 101.4 | 177.1 | -171.5 | -14.4 | 0 | 0 | 0 | 111 | I49 R53 L54 | I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.06Å; D51-R53 PolarHBondContact O-N 2.94Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.33Å; D51-R53 VanDerWaalsContact OD1-CG 3.31Å; D51-R53 WeakPolarHBondContact OD1-CG 3.28Å; D51-R53 IonicContact OD1-CZ 3.99Å; D51-R53 PolarHBondContact OD1-N 2.84Å; D51-R53 IonicContact OD1-NE 2.78Å; D51-R53 PolarHBondContact OD1-NE 3.02Å; D51-R53 IonicContact OD1-NH2 3.47Å; D51-R53 IonicContact OD2-CZ 2.75Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.05Å; D51-R53 PolarHBondContact OD2-NH2 2.98Å; D51-L54 HydrophobicContact CB-CD1 4Å; D51-L54 HydrophobicContact CB-CG 4.15Å; D51-L54 VanDerWaalsContact O-CB 3.29Å; D51-L54 WeakPolarHBondContact O-CB 3.4Å; D51-L54 PolarHBondContact O-N 3.12Å |
| 52 | K | 96.2 | Very high | 96.9 | Very high | 159 Ų | 159 | 77.6 Ų | 77.6 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.4 | -25.8 | 178.6 | -65.2 | -178.7 | -179.5 | 177 | 0 | 113.5 | L54 I55 E56 | K52-L54 PolarHBondContact O-N 2.93Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.5Å; K52-E56 PolarHBondContact O-N 2.97Å |
| 53 | R | 97.2 | Very high | 96.9 | Very high | 170 Ų | 170 | 83 Ų | 83 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.8 | -24.9 | 178.6 | -55.5 | 172.6 | -64.1 | -177.2 | 3.4 | 112 | D51 S57 | D51-R53 PolarHBondContact O-N 2.94Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.33Å; D51-R53 VanDerWaalsContact OD1-CG 3.31Å; D51-R53 WeakPolarHBondContact OD1-CG 3.28Å; D51-R53 IonicContact OD1-CZ 3.99Å; D51-R53 PolarHBondContact OD1-N 2.84Å; D51-R53 IonicContact OD1-NE 2.78Å; D51-R53 PolarHBondContact OD1-NE 3.02Å; D51-R53 IonicContact OD1-NH2 3.47Å; D51-R53 IonicContact OD2-CZ 2.75Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.05Å; D51-R53 PolarHBondContact OD2-NH2 2.98Å; R53-S57 WeakPolarHBondContact O-CB 3.26Å; R53-S57 PolarHBondContact O-N 3.47Å; R53-S57 PolarHBondContact O-OG 2.92Å |
| 54 | L | 97.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 87.8 Ų | 87.8 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 171.6 | -64.5 | 171.4 | 0 | 0 | 0 | 111.3 | V14 L17 I49 D51 K52 S57 F58 | V14-L54 HydrophobicContact CB-CD1 3.8Å; V14-L54 HydrophobicContact CG1-CD1 3.84Å; V14-L54 HydrophobicContact CG1-CD2 4.23Å; V14-L54 HydrophobicContact CG2-CD1 4.2Å; L17-L54 HydrophobicContact CD1-CB 4.14Å; L17-L54 WeakPolarHBondContact CD1-O 3.5Å; L17-L54 HydrophobicContact CG-CB 4.09Å; I49-L54 HydrophobicContact CG2-CB 4.06Å; I49-L54 HydrophobicContact CG2-CD1 4.15Å; D51-L54 HydrophobicContact CB-CD1 4Å; D51-L54 HydrophobicContact CB-CG 4.15Å; D51-L54 VanDerWaalsContact O-CB 3.29Å; D51-L54 WeakPolarHBondContact O-CB 3.4Å; D51-L54 PolarHBondContact O-N 3.12Å; K52-L54 PolarHBondContact O-N 2.93Å; L54-S57 PolarHBondContact O-OG 2.82Å; L54-F58 VanDerWaalsContact O-CB 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.26Å; L54-F58 PolarHBondContact O-N 2.86Å |
| 55 | I | 97.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 90.3 Ų | 90.3 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.7 | -53.5 | 174.8 | -61.1 | 173.3 | 0 | 0 | 0 | 109.6 | L17 Y29 E46 I49 K52 S57 F58 E59 | L17-I55 HydrophobicContact CD1-CG1 4.07Å; Y29-I55 HydrophobicContact CE1-CG2 4.31Å; Y29-I55 HydrophobicContact CE2-CD1 4.15Å; Y29-I55 HydrophobicContact CE2-CG1 4.13Å; Y29-I55 VanDerWaalsContact OH-CG2 3.31Å; Y29-I55 WeakPolarHBondContact OH-CG2 3.42Å; E46-I55 HydrophobicContact CG-CD1 4.06Å; I49-I55 HydrophobicContact CB-CD1 4.2Å; I49-I55 HydrophobicContact CB-CG1 4.32Å; I49-I55 HydrophobicContact CG2-CD1 4.27Å; I49-I55 HydrophobicContact CG2-CG1 3.93Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.5Å; I55-S57 PolarHBondContact O-N 3.14Å; I55-F58 WeakPolarHBondContact O-CB 3.33Å; I55-F58 PolarHBondContact O-N 3.42Å; I55-F58 VanDerWaalsContact O-N 3.16Å; I55-E59 HydrophobicContact CG2-CG 4.22Å; I55-E59 WeakPolarHBondContact O-CG 3.33Å; I55-E59 PolarHBondContact O-N 2.85Å |
| 56 | E | 97.6 | Very high | 96.7 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.8 | -47.2 | -179.4 | -73.4 | -179.9 | -138.4 | 0 | 0 | 113.1 | K52 F58 E59 R60 | K52-E56 PolarHBondContact O-N 2.97Å; E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.31Å; E56-E59 PolarHBondContact O-N 3.37Å; E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 3.39Å; E56-R60 IonicContact OE2-CZ 3.76Å; E56-R60 IonicContact OE2-NH2 3.55Å; E56-R60 PolarHBondContact OE2-NH2 3.07Å |
| 57 | S | 97.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 93.4 Ų | 93.4 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.8 | -32.1 | -178.7 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | R53 L54 I55 R61 | R53-S57 WeakPolarHBondContact O-CB 3.26Å; R53-S57 PolarHBondContact O-N 3.47Å; R53-S57 PolarHBondContact O-OG 2.92Å; L54-S57 PolarHBondContact O-OG 2.82Å; I55-S57 PolarHBondContact O-N 3.14Å; S57-R61 VanDerWaalsContact O-CB 3.26Å; S57-R61 WeakPolarHBondContact O-CB 3.28Å; S57-R61 PolarHBondContact O-N 3.49Å |
| 58 | F | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 90.1 Ų | 90.1 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.4 | -51.4 | 170.5 | 172 | -93.9 | 0 | 0 | 0 | 112.2 | L17 G19 K20 Y29 L54 I55 E56 R60 R61 E62 | L17-F58 HydrophobicContact CB-CB 3.97Å; L17-F58 HydrophobicContact CB-CD2 3.99Å; L17-F58 HydrophobicContact CB-CG 4Å; L17-F58 HydrophobicContact CD1-CB 4.25Å; L17-F58 WeakPolarHBondContact O-CD2 3.41Å; G19-F58 VanDerWaalsContact C-CZ 3.46Å; K20-F58 HydrophobicContact CB-CE1 3.49Å; K20-F58 VanDerWaalsContact CB-CE1 3.49Å; K20-F58 HydrophobicContact CB-CZ 3.81Å; K20-F58 HydrophobicContact CD-CE1 4.31Å; Y29-F58 HydrophobicContact CD1-CD1 4.11Å; Y29-F58 HydrophobicContact CD1-CE1 4.25Å; Y29-F58 AromaticContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CE1 4.13Å; L54-F58 VanDerWaalsContact O-CB 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.26Å; L54-F58 PolarHBondContact O-N 2.86Å; I55-F58 WeakPolarHBondContact O-CB 3.33Å; I55-F58 PolarHBondContact O-N 3.42Å; I55-F58 VanDerWaalsContact O-N 3.16Å; E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.31Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 3.01Å; F58-R61 CarbonylContact O-C 3.56Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 VanDerWaalsContact O-CB 3.32Å; F58-R61 WeakPolarHBondContact O-CB 3.13Å; F58-R61 PolarHBondContact O-N 3.44Å; F58-E62 HydrophobicContact CD1-CG 4.27Å; F58-E62 HydrophobicContact CD2-CG 4.26Å; F58-E62 HydrophobicContact CE1-CG 3.65Å; F58-E62 HydrophobicContact CE2-CG 3.65Å; F58-E62 HydrophobicContact CZ-CG 3.31Å; F58-E62 PolarHBondContact O-N 2.94Å |
| 59 | E | 97.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 92.4 Ų | 92.4 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | -178.2 | -65.8 | -154.5 | 130.4 | 0 | 0 | 112.5 | K20 I55 E56 R61 E62 K63 | K20-E59 IonicContact NZ-OE1 2.73Å; K20-E59 PolarHBondContact NZ-OE1 3.29Å; I55-E59 HydrophobicContact CG2-CG 4.22Å; I55-E59 WeakPolarHBondContact O-CG 3.33Å; I55-E59 PolarHBondContact O-N 2.85Å; E56-E59 PolarHBondContact O-N 3.37Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.09Å; E59-E62 PolarHBondContact O-N 2.67Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.13Å |
| 60 | R | 97.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 97.9 Ų | 97.9 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 171.6 | -168.6 | 179.8 | -62.3 | 129 | 4.6 | 111.7 | E56 F58 R64 | E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 3.39Å; E56-R60 IonicContact OE2-CZ 3.76Å; E56-R60 IonicContact OE2-NH2 3.55Å; E56-R60 PolarHBondContact OE2-NH2 3.07Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 3.01Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.32Å; R60-R64 PolarHBondContact O-N 3.31Å |
| 61 | R | 97.3 | Very high | 96.5 | Very high | 104 Ų | 104 | 96.9 Ų | 96.9 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.6 | -45.4 | 174.3 | -172.1 | -170.1 | -61 | 164.7 | -3.1 | 111.6 | L17 S57 F58 E59 R64 K65 | L17-R61 PolarHBondContact O-NH1 3.46Å; S57-R61 VanDerWaalsContact O-CB 3.26Å; S57-R61 WeakPolarHBondContact O-CB 3.28Å; S57-R61 PolarHBondContact O-N 3.49Å; F58-R61 CarbonylContact O-C 3.56Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 VanDerWaalsContact O-CB 3.32Å; F58-R61 WeakPolarHBondContact O-CB 3.13Å; F58-R61 PolarHBondContact O-N 3.44Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.09Å; R61-R64 PolarHBondContact O-N 3.45Å; R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 3.37Å |
| 62 | E | 96.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 97.5 Ų | 97.5 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 178.1 | -68.2 | -51 | 113.2 | 0 | 0 | 112.8 | F58 E59 R64 K65 K66 | F58-E62 HydrophobicContact CD1-CG 4.27Å; F58-E62 HydrophobicContact CD2-CG 4.26Å; F58-E62 HydrophobicContact CE1-CG 3.65Å; F58-E62 HydrophobicContact CE2-CG 3.65Å; F58-E62 HydrophobicContact CZ-CG 3.31Å; F58-E62 PolarHBondContact O-N 2.94Å; E59-E62 PolarHBondContact O-N 2.67Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.99Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 VanDerWaalsContact OE1-CE 3.31Å; E62-K65 WeakPolarHBondContact OE1-CE 3.45Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; E62-K65 IonicContact OE2-NZ 2.85Å; E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 2.99Å |
| 63 | K | 96.5 | Very high | 96.3 | Very high | 167 Ų | 167 | 92.9 Ų | 92.9 | 73% | 0.726 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.8 | -41.2 | 174.6 | -171.9 | 172.8 | -178.6 | 176.8 | 0 | 111.4 | E59 K66 A67 | E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.13Å; K63-K66 PolarHBondContact O-N 3.19Å; K63-A67 PolarHBondContact O-N 3.5Å; K63-A67 VanDerWaalsContact O-N 3.09Å |
| 64 | R | 96.9 | Very high | 96 | Very high | 186 Ų | 186 | 90.4 Ų | 90.4 | 70% | 0.702 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 173.7 | -73.8 | 173.5 | 176.8 | -176.7 | -1.8 | 112.2 | R60 R61 E62 K66 A67 Q68 | R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.32Å; R60-R64 PolarHBondContact O-N 3.31Å; R61-R64 PolarHBondContact O-N 3.45Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.99Å; R64-K66 PolarHBondContact O-N 3.21Å; R64-A67 PolarHBondContact O-N 3.16Å; R64-Q68 PolarHBondContact O-N 3.3Å |
| 65 | K | 96.2 | Very high | 95.4 | Very high | 93 Ų | 93 | 95.2 Ų | 95.2 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.1 | -73.1 | 179 | -173.9 | 169.2 | 0 | 112.3 | R61 E62 Q68 Q69 | R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 3.37Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 VanDerWaalsContact OE1-CE 3.31Å; E62-K65 WeakPolarHBondContact OE1-CE 3.45Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; E62-K65 IonicContact OE2-NZ 2.85Å; K65-Q68 PolarHBondContact O-N 2.95Å; K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.28Å; K65-Q69 PolarHBondContact O-N 3.34Å |
| 66 | K | 95.8 | Very high | 94.8 | Very high | 124 Ų | 124 | 101.8 Ų | 101.8 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 179.8 | -73 | 178.1 | 179.7 | -175.7 | 0 | 111.8 | E62 K63 R64 Q68 Q69 E70 | E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 2.99Å; K63-K66 PolarHBondContact O-N 3.19Å; R64-K66 PolarHBondContact O-N 3.21Å; K66-Q68 VanDerWaalsContact C-N 3.28Å; K66-Q68 PolarHBondContact O-N 2.78Å; K66-Q69 CarbonylContact O-C 3.46Å; K66-Q69 WeakPolarHBondContact O-CA 3.22Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 PolarHBondContact O-N 3.42Å; K66-E70 WeakPolarHBondContact O-CG 3.07Å; K66-E70 PolarHBondContact O-N 3.43Å |
| 67 | A | 95.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 100.1 Ų | 100.1 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.5 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | K63 R64 E70 L71 | K63-A67 PolarHBondContact O-N 3.5Å; K63-A67 VanDerWaalsContact O-N 3.09Å; R64-A67 PolarHBondContact O-N 3.16Å; A67-E70 PolarHBondContact O-N 3.25Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.85Å |
| 68 | Q | 95.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 102.6 Ų | 102.6 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 175.4 | -164.2 | 66.5 | 59 | 0 | 0 | 112.6 | R64 K65 K66 E70 N72 | R64-Q68 PolarHBondContact O-N 3.3Å; K65-Q68 PolarHBondContact O-N 2.95Å; K66-Q68 VanDerWaalsContact C-N 3.28Å; K66-Q68 PolarHBondContact O-N 2.78Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; Q68-N72 PolarHBondContact NE2-OD1 2.85Å; Q68-N72 VanDerWaalsContact O-CB 3.26Å; Q68-N72 WeakPolarHBondContact O-CB 3.21Å; Q68-N72 PolarHBondContact O-N 2.56Å; Q68-N72 PolarHBondContact O-OD1 3.02Å |
| 69 | Q | 95.4 | Very high | 92.8 | Very high | 123 Ų | 123 | 105.3 Ų | 105.3 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67 | -35.5 | 174.9 | -74.2 | 173.5 | 7.2 | 0 | 0 | 112.2 | K65 K66 S73 | K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.28Å; K65-Q69 PolarHBondContact O-N 3.34Å; K66-Q69 CarbonylContact O-C 3.46Å; K66-Q69 WeakPolarHBondContact O-CA 3.22Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 PolarHBondContact O-N 3.42Å; Q69-S73 VanDerWaalsContact O-CB 3.24Å; Q69-S73 WeakPolarHBondContact O-CB 3.26Å; Q69-S73 PolarHBondContact O-N 3.36Å; Q69-S73 PolarHBondContact O-OG 3.35Å |
| 70 | E | 94.8 | Very high | 91.8 | Very high | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67 | -49.7 | 175 | -73.5 | 157.7 | -175.2 | 0 | 0 | 110.8 | K66 A67 Q68 N72 S73 H74 | K66-E70 WeakPolarHBondContact O-CG 3.07Å; K66-E70 PolarHBondContact O-N 3.43Å; A67-E70 PolarHBondContact O-N 3.25Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; E70-N72 PolarHBondContact O-N 2.85Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-H74 PolarHBondContact O-N 2.85Å |
| 71 | L | 94.4 | Very high | 90.5 | Very high | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56 | -52.9 | 173.3 | -70.7 | 171.4 | 0 | 0 | 0 | 111.9 | A67 S73 H74 E75 | A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.85Å; L71-S73 PolarHBondContact O-N 3.39Å; L71-S73 VanDerWaalsContact O-N 3.09Å; L71-H74 PolarHBondContact O-N 3.44Å; L71-H74 VanDerWaalsContact O-N 3.12Å; L71-E75 PolarHBondContact O-N 3.17Å |
| 72 | N | 93.5 | Very high | 89 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -10.6 | 178.8 | -66.4 | 25.3 | 0 | 0 | 0 | 112.9 | Q68 E70 R76 | Q68-N72 PolarHBondContact NE2-OD1 2.85Å; Q68-N72 VanDerWaalsContact O-CB 3.26Å; Q68-N72 WeakPolarHBondContact O-CB 3.21Å; Q68-N72 PolarHBondContact O-N 2.56Å; Q68-N72 PolarHBondContact O-OD1 3.02Å; E70-N72 PolarHBondContact O-N 2.85Å; N72-R76 PolarHBondContact O-NE 2.8Å; N72-R76 PolarHBondContact O-NH2 3.35Å |
| 73 | S | 93.5 | Very high | 87.3 | Confident | 61 Ų | 61 | 107.2 Ų | 107.2 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -95.2 | -36.6 | 172.4 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | Q69 E70 L71 R76 S77 | Q69-S73 VanDerWaalsContact O-CB 3.24Å; Q69-S73 WeakPolarHBondContact O-CB 3.26Å; Q69-S73 PolarHBondContact O-N 3.36Å; Q69-S73 PolarHBondContact O-OG 3.35Å; E70-S73 PolarHBondContact O-N 3.04Å; L71-S73 PolarHBondContact O-N 3.39Å; L71-S73 VanDerWaalsContact O-N 3.09Å; S73-R76 PolarHBondContact O-N 2.87Å; S73-S77 PolarHBondContact O-N 3.16Å |
| 74 | H | 90.4 | Very high | 85.5 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -44.7 | 174.6 | -166.8 | 43.6 | 0 | 0 | 0 | 111.4 | E70 L71 R76 S77 I78 | E70-H74 PolarHBondContact O-N 2.85Å; L71-H74 PolarHBondContact O-N 3.44Å; L71-H74 VanDerWaalsContact O-N 3.12Å; H74-R76 VanDerWaalsContact C-N 3.31Å; H74-R76 PolarHBondContact O-N 2.86Å; H74-S77 WeakPolarHBondContact CA-OG 3.24Å; H74-S77 PolarHBondContact ND1-OG 2.92Å; H74-S77 WeakPolarHBondContact O-CA 3.38Å; H74-S77 WeakPolarHBondContact O-CB 3.49Å; H74-S77 PolarHBondContact O-N 3.19Å; H74-S77 PolarHBondContact O-OG 2.83Å; H74-I78 WeakPolarHBondContact O-CG1 3.48Å; H74-I78 PolarHBondContact O-N 2.73Å |
| 75 | E | 85.3 | Confident | 83.6 | Confident | 133 Ų | 133 | 103.8 Ų | 103.8 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | 173.4 | -173.6 | -176.3 | -167.5 | 0 | 0 | 112.3 | L71 S77 I78 S79 | L71-E75 PolarHBondContact O-N 3.17Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.43Å; E75-I78 PolarHBondContact O-N 2.91Å; E75-S79 WeakPolarHBondContact O-CB 3.37Å; E75-S79 PolarHBondContact O-N 3.36Å; E75-S79 PolarHBondContact O-OG 3.02Å |
| 76 | R | 85.4 | Confident | 81.7 | Confident | 162 Ų | 162 | 103.8 Ų | 103.8 | 61% | 0.611 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.2 | -27.4 | 173.5 | -84.7 | -179.3 | -69.6 | 167.3 | 4.7 | 113.4 | N72 S73 H74 S79 A80 | N72-R76 PolarHBondContact O-NE 2.8Å; N72-R76 PolarHBondContact O-NH2 3.35Å; S73-R76 PolarHBondContact O-N 2.87Å; H74-R76 VanDerWaalsContact C-N 3.31Å; H74-R76 PolarHBondContact O-N 2.86Å; R76-S79 WeakPolarHBondContact CA-OG 3.39Å; R76-S79 PolarHBondContact O-OG 3.16Å; R76-A80 WeakPolarHBondContact O-CB 3.44Å; R76-A80 PolarHBondContact O-N 3.48Å |
| 77 | S | 88.4 | Confident | 79.8 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -74.6 | -41.7 | 172.8 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | S73 H74 E75 A80 E81 | S73-S77 PolarHBondContact O-N 3.16Å; H74-S77 WeakPolarHBondContact CA-OG 3.24Å; H74-S77 PolarHBondContact ND1-OG 2.92Å; H74-S77 WeakPolarHBondContact O-CA 3.38Å; H74-S77 WeakPolarHBondContact O-CB 3.49Å; H74-S77 PolarHBondContact O-N 3.19Å; H74-S77 PolarHBondContact O-OG 2.83Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.43Å; S77-A80 PolarHBondContact O-N 2.92Å; S77-E81 PolarHBondContact O-N 3.12Å |
| 78 | I | 82.9 | Confident | 77.5 | Confident | 97 Ų | 97 | 109.8 Ų | 109.8 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | -47.5 | 178.5 | -66.3 | 164.2 | 0 | 0 | 0 | 110.5 | H74 E75 A80 E81 S82 | H74-I78 WeakPolarHBondContact O-CG1 3.48Å; H74-I78 PolarHBondContact O-N 2.73Å; E75-I78 PolarHBondContact O-N 2.91Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.78Å; I78-E81 PolarHBondContact O-N 2.83Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.32Å |
| 79 | S | 79.4 | Confident | 75 | Confident | 63 Ų | 63 | 112.6 Ų | 112.6 | 44% | 0.441 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.5 | -32.5 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | E75 R76 | E75-S79 WeakPolarHBondContact O-CB 3.37Å; E75-S79 PolarHBondContact O-N 3.36Å; E75-S79 PolarHBondContact O-OG 3.02Å; R76-S79 WeakPolarHBondContact CA-OG 3.39Å; R76-S79 PolarHBondContact O-OG 3.16Å |
| 80 | A | 76.6 | Confident | 73.1 | Confident | 62 Ų | 62 | 112 Ų | 112 | 51% | 0.512 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.9 | -39 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R76 S77 I78 | R76-A80 WeakPolarHBondContact O-CB 3.44Å; R76-A80 PolarHBondContact O-N 3.48Å; S77-A80 PolarHBondContact O-N 2.92Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.78Å |
| 81 | E | 69.3 | Low | 71 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 50% | 0.5 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -80 | -32.3 | -179.8 | -161.5 | 58.2 | -150.4 | 0 | 0 | 112.1 | S77 I78 Q83 R84 S85 | S77-E81 PolarHBondContact O-N 3.12Å; I78-E81 PolarHBondContact O-N 2.83Å; E81-Q83 PolarHBondContact O-N 2.74Å; E81-Q83 VanDerWaalsContact O-N 3.16Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 2.93Å; E81-R84 WeakPolarHBondContact OE2-CD 3.31Å; E81-R84 IonicContact OE2-CZ 3.87Å; E81-R84 IonicContact OE2-NH1 3.31Å; E81-R84 PolarHBondContact OE2-NH1 2.84Å; E81-S85 PolarHBondContact O-N 2.7Å |
| 82 | S | 65.7 | Low | 68.6 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.1 | -25 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 113.4 | I78 R84 S85 | I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.32Å; S82-R84 VanDerWaalsContact C-N 3.33Å; S82-S85 PolarHBondContact O-OG 2.79Å |
| 83 | Q | 60.9 | Low | 66.1 | Low | 163 Ų | 163 | 118.4 Ų | 118.4 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 1.2 | 173.2 | -68.2 | -161.2 | -2.9 | 0 | 0 | 114.3 | E81 | E81-Q83 PolarHBondContact O-N 2.74Å; E81-Q83 VanDerWaalsContact O-N 3.16Å |
| 84 | R | 59.5 | Low | 63.4 | Low | 190 Ų | 190 | 123 Ų | 123 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -30.3 | 170.5 | -77.7 | 173.7 | 160.5 | 170.9 | -4.9 | 113.4 | E81 S82 S86 | E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 2.93Å; E81-R84 WeakPolarHBondContact OE2-CD 3.31Å; E81-R84 IonicContact OE2-CZ 3.87Å; E81-R84 IonicContact OE2-NH1 3.31Å; E81-R84 PolarHBondContact OE2-NH1 2.84Å; S82-R84 VanDerWaalsContact C-N 3.33Å; R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 2.65Å |
| 85 | S | 56.4 | Low | 60.9 | Low | 90 Ų | 90 | 127.4 Ų | 127.4 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | | | trans | -83.9 | 65.2 | 178.9 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | E81 S82 | E81-S85 PolarHBondContact O-N 2.7Å; S82-S85 PolarHBondContact O-OG 2.79Å |
| 86 | S | 56.2 | Low | 58.8 | Low | 93 Ų | 93 | 125.9 Ų | 125.9 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | | | trans | -115.8 | 116.9 | 165.3 | -68.7 | 0 | 0 | 0 | 0 | 109.1 | R84 | R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 2.65Å |
| 87 | P | 56.6 | Low | 56.5 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 152.7 | -178.7 | 29.3 | -34.5 | 0 | 0 | 0 | 111.6 | | |
| 88 | L | 47 | Very low | 54.3 | Low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 151.7 | 178.4 | -75 | 88.9 | 0 | 0 | 0 | 112 | | |
| 89 | N | 44.4 | Very low | 51.8 | Low | 166 Ų | 166 | 136.3 Ų | 136.3 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.6 | 168.9 | -69.2 | -29.3 | 0 | 0 | 0 | 112.3 | | |
| 90 | S | 54.1 | Low | 49.9 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | | | trans | -134.3 | 125.4 | 140 | 59.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 91 | P | 50.5 | Low | 48 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | trans | -73.5 | -175.1 | 170 | 34.4 | -35.7 | 0 | 0 | 0 | 111 | | |
| 92 | D | 44.8 | Very low | 46.6 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | | | trans | 67.6 | 95.6 | 168 | -53.1 | -27.4 | 0 | 0 | 0 | 117.7 | | |
| 93 | K | 40.6 | Very low | 45.2 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | | -158.2 | 116.2 | 99.3 | -103.6 | 158 | -171.9 | 176.4 | 0 | 113.2 | | |
| 94 | H | 37 | Very low | 44.1 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 73% | 0.731 | 74% | 0.74 | S | S | * | * | | | trans | -77.8 | 128.5 | 163.5 | -169.6 | -81.1 | 0 | 0 | 0 | 108.3 | | |
| 95 | Y | 38.4 | Very low | 42.9 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | | | trans | -136.9 | 120 | 157.5 | -98.6 | -73.6 | 0 | 0 | 0 | 108.9 | | |
| 96 | D | 41 | Very low | 42 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 54% | 0.54 | 75% | 0.748 | S | S | . | * | | | trans | -97.5 | 143.2 | 176.3 | -160.3 | -18.8 | 0 | 0 | 0 | 108 | | |
| 97 | Y | 37 | Very low | 40.9 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | | | trans | -175.2 | 98 | 153.3 | -110.5 | -66.9 | 0 | 0 | 0 | 111.6 | | |
| 98 | H | 41.8 | Very low | 39.7 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 28.3 | 150.8 | 141.6 | -67.8 | -84.2 | 0 | 0 | 0 | 124 | | |
| 99 | H | 31.7 | Very low | 39.3 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | trans | -64.6 | 154.8 | 167.2 | -67.8 | -138.9 | 0 | 0 | 0 | 112.6 | | |
| 100 | D | 39.6 | Very low | 38.7 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | | -177.5 | 119.9 | 102.4 | -98.2 | -40.5 | 0 | 0 | 0 | 116 | | |
| 101 | N | 35.8 | Very low | 37.5 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | | 48.8 | 136.3 | 129.7 | -77.9 | -53 | 0 | 0 | 0 | 126.3 | | |
| 102 | I | 39.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | | | trans | 99.9 | 116.3 | 134 | -76.4 | 168.1 | 0 | 0 | 0 | 123.8 | | |
| 103 | S | 37.4 | Very low | 36.3 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | 54.8 | 110.8 | 146.8 | 73.2 | 0 | 0 | 0 | 0 | 126.4 | | |
| 104 | K | 37 | Very low | 35.9 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | | | | 38.1 | 111.2 | 115 | -76.1 | 164.2 | 172.7 | 153.2 | 0 | 122 | N206 D207 | K104-N206 PolarHBondContact NZ-O 2.7Å; K104-D207 WeakPolarHBondContact CE-OD2 3.19Å; K104-D207 IonicContact NZ-OD2 2.7Å; K104-D207 PolarHBondContact NZ-OD2 2.9Å |
| 105 | S | 35.6 | Very low | 36.3 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | | 41.3 | 147.2 | 119.2 | 72.6 | 0 | 0 | 0 | 0 | 122 | | |
| 106 | K | 36 | Very low | 36.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | cis | -168.7 | -171.8 | 10.9 | -135.1 | 179.6 | -178.8 | -179.6 | 0 | 111.3 | | |
| 107 | E | 32.9 | Very low | 35.8 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | trans | 88.2 | 149.7 | 161.7 | -56.1 | -134.7 | 111.4 | 0 | 0 | 119 | | |
| 108 | N | 33 | Very low | 35.7 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | | | cis | -171.5 | 176.4 | -38.7 | -104.2 | -23.9 | 0 | 0 | 0 | 109.4 | | |
| 109 | V | 37.6 | Very low | 35.2 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | trans | 72.8 | 133.7 | 165.7 | -170.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 110 | S | 31.9 | Very low | 35.1 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | -162.5 | 160.7 | -22.2 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 111 | M | 28.2 | Very low | 34.9 | Very low | 185 Ų | 185 | 133 Ų | 133 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | | | trans | -149.3 | 125.5 | 156.4 | -103.9 | -69.2 | -166.6 | 0 | 0 | 108 | | |
| 112 | I | 34.8 | Very low | 34.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -141.3 | 128.7 | 177.2 | -63.4 | 176.5 | 0 | 0 | 0 | 108.7 | | |
| 113 | T | 36.7 | Very low | 34.4 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | trans | -149.1 | 143.5 | 146.6 | 19.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 114 | S | 32.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -125.8 | 178.3 | -179.9 | -164 | 0 | 0 | 0 | 0 | 109 | | |
| 115 | P | 44.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | | -134.2 | 147 | 100.1 | 12.9 | 9.4 | 0 | 0 | 0 | 112.8 | | |
| 116 | E | 33.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 140 Ų | 140 | 64% | 0.64 | 76% | 0.755 | S | S | * | * | | | | 64.7 | 136.3 | 69.5 | -80.9 | -151 | 120.9 | 0 | 0 | 115.8 | | |
| 117 | R | 33.9 | Very low | 33.8 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | cis | -124.6 | -125.3 | 2.8 | -151.6 | 172.1 | -74.5 | 131.3 | 6.9 | 112.4 | | |
| 118 | V | 34.6 | Very low | 33.8 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | cis | -147.4 | 163.1 | 8.3 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 119 | I | 32.8 | Very low | 34.2 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | -76.3 | 143.6 | 177.8 | -63.5 | 152.9 | 0 | 0 | 0 | 111.2 | | |
| 120 | C | 28.2 | Very low | 34.5 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | cis | 89.5 | 140.4 | 26.2 | -61.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 121 | S | 35.2 | Very low | 34.6 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | cis | -168.2 | 172.7 | -13.6 | -87.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 122 | R | 32.2 | Very low | 35.2 | Very low | 265 Ų | 265 | 137.2 Ų | 137.2 | 100% | 1 | 77% | 0.767 | S | S | * | * | | | trans | 75.9 | 145.9 | -175.9 | -61.4 | 171.6 | 153.5 | 136.5 | -8.8 | 115.5 | | |
| 123 | G | 33.7 | Very low | 35 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | cis | 154.3 | 148.4 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 124 | T | 34.8 | Very low | 34.9 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | | | trans | 60.3 | 148.8 | 171 | 53.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 125 | I | 37.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | cis | -155.6 | 154 | -4.7 | -116.7 | 163.2 | 0 | 0 | 0 | 109.5 | | |
| 126 | E | 31.2 | Very low | 34.9 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 27.7 | 126.6 | 154.9 | -58.5 | 175.3 | 155.8 | 0 | 0 | 121.9 | | |
| 127 | C | 29.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | | 72.7 | 147.1 | 86.3 | -55.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 128 | E | 32.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | cis | -133.4 | -161.1 | 20.1 | -61.3 | -177.3 | 123.8 | 0 | 0 | 113.9 | | |
| 129 | S | 41.4 | Very low | 35.2 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -157.5 | 150.2 | -178.8 | -53.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 130 | P | 45.1 | Very low | 35.1 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -132.5 | 125.8 | 158.1 | 31.4 | -14.6 | 0 | 0 | 0 | 114 | | |
| 131 | I | 33.9 | Very low | 35.3 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | | 81.7 | 115.4 | 84.7 | -65.6 | 158.4 | 0 | 0 | 0 | 115.8 | | |
| 132 | V | 40.7 | Very low | 35.4 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | | | trans | -140 | 158.2 | 142.2 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 133 | L | 30.9 | Very low | 35.4 | Very low | 150 Ų | 150 | 135 Ų | 135 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -118.9 | 161.3 | -150.6 | -167.9 | 68.7 | 0 | 0 | 0 | 115.8 | | |
| 134 | S | 34.5 | Very low | 35.3 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | 99.4 | 143.1 | 149.7 | 83.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 135 | K | 37.2 | Very low | 35.1 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | cis | -158.5 | 157.8 | 4.3 | -132.8 | 168.3 | -174.1 | 176.5 | 0 | 113.7 | | |
| 136 | T | 39.2 | Very low | 34.9 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | 65.9 | 90.5 | 156.3 | 45.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 137 | D | 28.2 | Very low | 34.9 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | -50.9 | 175.7 | 129.9 | -81.4 | -58.2 | 0 | 0 | 0 | 113.5 | | |
| 138 | P | 43.6 | Very low | 35 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | -162.4 | -167.3 | 49.5 | 44.5 | -19.2 | 0 | 0 | 0 | 121.4 | | |
| 139 | I | 37.3 | Very low | 35 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | | | trans | 84.9 | 98.7 | 164.9 | -62.3 | 165.6 | 0 | 0 | 0 | 114.9 | | |
| 140 | L | 31.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | | 69.9 | 140.1 | 81.9 | -89.7 | 77.6 | 0 | 0 | 0 | 114.1 | | |
| 141 | S | 32.5 | Very low | 34.1 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | cis | -168.9 | -176.3 | -0.5 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 142 | S | 36.1 | Very low | 34.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | 74.7 | 123 | 146.7 | 176.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 143 | F | 32.5 | Very low | 34 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | cis | -153 | 149.1 | -11.9 | -119.5 | -66.4 | 0 | 0 | 0 | 110.6 | | |
| 144 | L | 32.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 167.4 | 170.6 | -78.8 | 160.6 | 0 | 0 | 0 | 111.6 | | |
| 145 | N | 31.1 | Very low | 34.2 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151.1 | 159.3 | -92.8 | -12.9 | 0 | 0 | 0 | 110.8 | | |
| 146 | T | 32.4 | Very low | 34.2 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126.2 | -170.7 | -48.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 147 | A | 31 | Very low | 34.1 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | trans | -157.1 | 151.2 | 141.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 148 | A | 31.4 | Very low | 34.5 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | | | trans | -150 | 129.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 149 | T | 32.9 | Very low | 34.2 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | | | trans | -174.3 | 130 | 143.9 | 25.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 150 | S | 32.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -170.1 | 149.6 | 143.1 | -161 | 0 | 0 | 0 | 0 | 109.5 | | |
| 151 | A | 35.1 | Very low | 34.2 | Very low | 94 Ų | 94 | 126 Ų | 126 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | | | trans | -150.1 | 136.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 152 | K | 36 | Very low | 34.3 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | | | trans | -169.3 | 156.1 | 176.1 | -101.1 | -149.4 | 170.4 | -172.7 | 0 | 108.8 | | |
| 153 | V | 36.6 | Very low | 34.3 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 55% | 0.545 | 73% | 0.733 | S | S | . | * | | | cis | -167.1 | 170.3 | -18.1 | 81.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 154 | I | 34.9 | Very low | 34.4 | Very low | 155 Ų | 155 | 127.8 Ų | 127.8 | 80% | 0.795 | 73% | 0.728 | S | S | * | * | | | trans | 175.1 | 116 | 142.8 | -90.4 | 151.3 | 0 | 0 | 0 | 105.3 | | |
| 155 | C | 34.9 | Very low | 34.5 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 50% | 0.5 | 72% | 0.722 | S | S | . | * | | | cis | 82.8 | 132.2 | 47.9 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 156 | N | 35.7 | Very low | 34.9 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | cis | -134.8 | -156.5 | -1.3 | -64.1 | -69.4 | 0 | 0 | 0 | 108.7 | | |
| 157 | K | 37.5 | Very low | 35.2 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | | | cis | -162.8 | -166.2 | -3 | -137.7 | 165.5 | 168.9 | -76.3 | 0 | 105.7 | | |
| 158 | D | 35.9 | Very low | 35.4 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | | | cis | -160.4 | 174.3 | 3.1 | -141.9 | -22.9 | 0 | 0 | 0 | 113.5 | | |
| 159 | S | 37.9 | Very low | 35.5 | Very low | 83 Ų | 83 | 128 Ų | 128 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | | | trans | 52.1 | 113 | 146.1 | 69.4 | 0 | 0 | 0 | 0 | 123.8 | | |
| 160 | D | 35.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | | | | 58.6 | 144.3 | 113.2 | -63.7 | 10 | 0 | 0 | 0 | 121.9 | | |
| 161 | N | 34.8 | Very low | 35.4 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | | | cis | -164.9 | 161.9 | -2.4 | -132.6 | -43 | 0 | 0 | 0 | 113.5 | | |
| 162 | V | 34.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | | | trans | 34.2 | 125.4 | 161.9 | -140.9 | 0 | 0 | 0 | 0 | 120 | | |
| 163 | I | 34.3 | Very low | 35.5 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | | | | -179.4 | 132.3 | 95.3 | -92.9 | 175.8 | 0 | 0 | 0 | 113.2 | | |
| 164 | K | 34.9 | Very low | 35.3 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | | | trans | 48.4 | 132.5 | 152.1 | -67.3 | 173.3 | -166.2 | 171.8 | 0 | 119.2 | | |
| 165 | N | 36 | Very low | 35.2 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | | | cis | -169 | 143.8 | 40.4 | -109.9 | -16.2 | 0 | 0 | 0 | 112.4 | | |
| 166 | I | 39 | Very low | 35.1 | Very low | 144 Ų | 144 | 129 Ų | 129 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | trans | 53.4 | 137.1 | 130.6 | -62.3 | 172.3 | 0 | 0 | 0 | 119.2 | | |
| 167 | P | 38.7 | Very low | 35 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | cis | -136.7 | -168.5 | 24.4 | 28.2 | -2.6 | 0 | 0 | 0 | 117 | | |
| 168 | I | 35.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 86% | 0.862 | 72% | 0.724 | S | S | * | * | | | trans | 83 | 119.6 | 161.3 | -40.8 | -173.5 | 0 | 0 | 0 | 116.8 | | |
| 169 | S | 33.6 | Very low | 35.3 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | trans | -118.1 | 168.4 | 176.8 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 170 | S | 33.1 | Very low | 34.9 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | trans | 58.2 | 116.7 | 144.4 | 58.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 171 | C | 30.3 | Very low | 34.7 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | | | trans | 84.9 | 133.5 | 150 | -58.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 172 | S | 33.3 | Very low | 34.6 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 70.8 | 128 | 167.4 | -57.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 173 | P | 38.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -100.5 | 157.7 | -177.3 | 38.2 | -34.9 | 0 | 0 | 0 | 115.4 | | |
| 174 | N | 32.9 | Very low | 34.3 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | 72.1 | 107.6 | 155.7 | -61.4 | -8.4 | 0 | 0 | 0 | 120.8 | | |
| 175 | L | 32.3 | Very low | 34.3 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | | | trans | -140.1 | 150.7 | 145.6 | -71.4 | 173.4 | 0 | 0 | 0 | 105.6 | | |
| 176 | S | 32.6 | Very low | 34.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | cis | -138.3 | 175.3 | -2.1 | -103 | 0 | 0 | 0 | 0 | 107.2 | | |
| 177 | I | 35.1 | Very low | 33.7 | Very low | 158 Ų | 158 | 131.6 Ų | 131.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | cis | -142.2 | 118 | 41.1 | -66.4 | 170.3 | 0 | 0 | 0 | 110.6 | | |
| 178 | D | 34.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 55% | 0.551 | 78% | 0.777 | S | S | * | * | | | trans | 37.4 | 161.1 | 134 | -69.1 | -63.8 | 0 | 0 | 0 | 124.8 | | |
| 179 | P | 44.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -124.7 | 141.2 | -5.3 | 13.7 | 10.5 | 0 | 0 | 0 | 116.3 | | |
| 180 | M | 29.3 | Very low | 34.1 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 57.7 | 96.1 | 138.6 | -55.6 | -59.9 | 160.1 | 0 | 0 | 119.8 | | |
| 181 | T | 30.3 | Very low | 34.2 | Very low | 147 Ų | 147 | 133 Ų | 133 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | -127.7 | 130.6 | 149.7 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 182 | S | 34 | Very low | 34.4 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | | | trans | -138.3 | 86.7 | -178.4 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 183 | N | 31.2 | Very low | 34.5 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | | | trans | -95.4 | 147.5 | 156.5 | -79.5 | -32.5 | 0 | 0 | 0 | 107.8 | | |
| 184 | S | 31.3 | Very low | 34.4 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | cis | -165.9 | 166.7 | -3.7 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 185 | S | 33.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | | | trans | -152.5 | 133.6 | 147.7 | -84.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 186 | T | 32.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -80 | 171.1 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 187 | R | 30.3 | Very low | 35.5 | Very low | 221 Ų | 221 | 130.1 Ų | 130.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | | -179.1 | 143.6 | 52.6 | -146.6 | 178.3 | 159.3 | -150.3 | -1.5 | 105 | | |
| 188 | T | 34.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | | -176 | 175.3 | 68.3 | 22.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 189 | T | 37.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -99 | -174.3 | -172.7 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 190 | P | 43.7 | Very low | 34.8 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | cis | -139 | -158.2 | -41.2 | 36 | -14.2 | 0 | 0 | 0 | 114.1 | | |
| 191 | N | 34.6 | Very low | 35.1 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | 79.9 | 150.5 | 157.6 | -64.3 | -6.2 | 0 | 0 | 0 | 119.4 | | |
| 192 | S | 34.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -173.9 | 167.3 | -13.7 | -92.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 193 | I | 35.4 | Very low | 35 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | | | trans | 89.3 | 132.6 | 149 | -73.4 | 149.3 | 0 | 0 | 0 | 123.6 | | |
| 194 | S | 35.7 | Very low | 35 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | | | trans | 57.9 | 130.4 | 160.8 | 59.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 195 | S | 38.2 | Very low | 35 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | | | cis | 85.5 | 155.5 | 10.8 | -39.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 196 | P | 48.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | | | cis | -145.2 | 168.1 | -45.5 | 40.2 | -24.5 | 0 | 0 | 0 | 115.5 | | |
| 197 | V | 35 | Very low | 34.8 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | | | trans | -151.3 | 128.9 | 147 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 198 | N | 31.7 | Very low | 34.8 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 10.6 | 144.4 | 152.8 | -60.3 | -2.5 | 0 | 0 | 0 | 121.7 | | |
| 199 | I | 37 | Very low | 34.8 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | cis | -152.7 | 145.7 | 1.1 | -111.2 | 158.4 | 0 | 0 | 0 | 110.3 | | |
| 200 | E | 32.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | 1 | 154.8 | 157.1 | -52.6 | 176.7 | 142.7 | 0 | 0 | 122.2 | | |
| 201 | S | 33.6 | Very low | 34 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | cis | -174.4 | 132.6 | -19.3 | -95.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 202 | N | 30.8 | Very low | 34 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | | 29.3 | 152.5 | 119.6 | -67 | -10.1 | 0 | 0 | 0 | 122 | | |
| 203 | N | 31.9 | Very low | 34.1 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 65% | 0.652 | 73% | 0.725 | S | S | * | * | | | cis | -169.7 | 158.3 | -16 | -112.9 | -23.3 | 0 | 0 | 0 | 112.7 | | |
| 204 | N | 31.1 | Very low | 34.1 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | | | trans | 17.9 | 126.5 | 143.3 | -55.9 | -26 | 0 | 0 | 0 | 123.2 | | |
| 205 | N | 30.8 | Very low | 34.2 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | | | | 59.3 | 126.1 | 127.8 | -59.3 | -12.5 | 0 | 0 | 0 | 123.7 | | |
| 206 | N | 31.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | | | trans | 65.2 | 105.8 | 141.7 | -57 | -4.8 | 0 | 0 | 0 | 120.2 | K104 | K104-N206 PolarHBondContact NZ-O 2.7Š|
| 207 | D | 31.3 | Very low | 33.6 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | | | | -176.6 | 165.5 | 95.6 | -85.1 | -34.4 | 0 | 0 | 0 | 112.4 | K104 | K104-D207 WeakPolarHBondContact CE-OD2 3.19Å; K104-D207 IonicContact NZ-OD2 2.7Å; K104-D207 PolarHBondContact NZ-OD2 2.9Å |
| 208 | L | 31.5 | Very low | 33.7 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 89% | 0.885 | 72% | 0.715 | S | S | * | * | | | trans | -145.2 | 163.2 | 173.6 | -89.8 | 177.7 | 0 | 0 | 0 | 112 | | |
| 209 | C | 34.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | 95.1 | 138.7 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 210 | F | 32.7 | Very low | 33.4 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 81% | 0.807 | 72% | 0.72 | S | S | * | * | | | cis | -167.2 | 137.2 | -13.1 | -134.9 | -67.4 | 0 | 0 | 0 | 111.2 | | |
| 211 | D | 32.3 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | | | trans | 167.7 | 151.8 | 142.3 | -101.6 | -26.5 | 0 | 0 | 0 | 109.8 | | |
| 212 | R | 35.2 | Very low | 33.2 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 63% | 0.634 | 73% | 0.728 | S | S | * | * | | | cis | -155.8 | 122.9 | 10.3 | -140.2 | 155.3 | -134.8 | -171.8 | 19.5 | 113.9 | | |
| 213 | R | 36.4 | Very low | 33.2 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | | | trans | 70.9 | 154.3 | 156.3 | -56.3 | 160.3 | -166.1 | -175.6 | 8.5 | 116.9 | | |
| 214 | F | 35 | Very low | 33.2 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | | | cis | -136 | 121.2 | 18.5 | -122.2 | -80.7 | 0 | 0 | 0 | 114.9 | | |
| 215 | R | 38.5 | Very low | 33 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | trans | 62.6 | 108.9 | 151.9 | -76.9 | 179.9 | -176.4 | 172.2 | 2.7 | 123.2 | | |
| 216 | R | 36 | Very low | 32.9 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | | | | 100.1 | 93.5 | 116.2 | -87.4 | -172.6 | 170.6 | 158.4 | -1.6 | 122.5 | | |
| 217 | T | 37 | Very low | 32.9 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | | 70.2 | 87.7 | 118.5 | 54.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 218 | T | 36.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | | 60.2 | 105.9 | 102.6 | -50.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 219 | L | 30.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | 60 | 159.4 | 141.7 | -58.2 | 173.3 | 0 | 0 | 0 | 118.9 | | |
| 220 | L | 30.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | cis | -148.4 | 131.8 | 8.2 | -162.6 | 143 | 0 | 0 | 0 | 110.9 | | |
| 221 | V | 32 | Very low | 32.6 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -143.2 | 128.2 | 161.9 | 179.3 | 0 | 0 | 0 | 0 | 110 | | |
| 222 | A | 30.4 | Very low | 32.4 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -135.5 | 82 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 223 | A | 30.6 | Very low | 32.1 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -162.4 | 155.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 224 | A | 31.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | 62.7 | 76.4 | 162 | 0 | 0 | 0 | 0 | 0 | 119 | A226 | A224-A226 PolarHBondContact O-N 2.91Š|
| 225 | S | 28.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 99% | 0.986 | 80% | 0.8 | S | S | * | * | | | trans | -70.2 | 75.2 | 151.6 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 226 | A | 28.9 | Very low | 31.1 | Very low | 86 Ų | 86 | 119 Ų | 119 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -142.2 | 66.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A224 | A224-A226 PolarHBondContact O-N 2.91Š|
| 227 | S | 29.4 | Very low | 30.9 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -153.5 | 123.1 | 168.8 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 228 | A | 31.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | | -178.4 | 101.9 | 121.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 229 | A | 28.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | | | trans | -146.5 | 81 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 230 | N | 34.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -166 | 96.3 | 166.3 | -107.5 | -27.1 | 0 | 0 | 0 | 113.2 | | |
| 231 | A | 29.8 | Very low | 30.7 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | | | trans | -168.7 | 136.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 232 | A | 28.8 | Very low | 30.7 | Very low | 105 Ų | 105 | 119 Ų | 119 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | -151.2 | 136 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 233 | A | 29 | Very low | 30.7 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | 168.9 | 151 | 133.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 234 | A | 27.3 | Very low | 30.6 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | 44.9 | 106.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 235 | L | 31.2 | Very low | 30.8 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | | | | -152.9 | 156.8 | 71.9 | -101 | 161 | 0 | 0 | 0 | 112.6 | | |
| 236 | A | 29.6 | Very low | 30.8 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | | | trans | -126.5 | 132.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 237 | H | 31.4 | Very low | 30.9 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | -171.1 | 137.9 | 150.5 | -102.3 | -71.8 | 0 | 0 | 0 | 110 | | |
| 238 | S | 30.7 | Very low | 31 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | 63.5 | 141.2 | 176.1 | -86.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 239 | R | 32.5 | Very low | 31.1 | Very low | 231 Ų | 231 | 135.5 Ų | 135.5 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | cis | -130.5 | 148.9 | -2.7 | -51.4 | 176.7 | 176.7 | 157.4 | -2 | 106.8 | | |
| 240 | I | 34 | Very low | 31.3 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | cis | 67 | 106.6 | 38 | -61.4 | -176.7 | 0 | 0 | 0 | 113.9 | | |
| 241 | S | 33.2 | Very low | 31.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | 54.4 | 156.3 | 170 | -66.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 242 | G | 33.8 | Very low | 31.5 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | cis | -161 | 175.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 243 | R | 28.6 | Very low | 31.7 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | cis | 49.3 | 70.6 | 14.7 | -146.8 | -176.2 | -155.4 | -151.8 | 6.6 | 115.3 | | |
| 244 | Q | 30.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | | | | -171.7 | 164.3 | 117.4 | -105 | 167.5 | -20 | 0 | 0 | 113.6 | | |
| 245 | T | 34.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 49 | 105.2 | 154.3 | 50.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 246 | Q | 29.9 | Very low | 32.2 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | | 45.1 | 126.8 | 108.1 | -74.6 | 177.5 | -34.1 | 0 | 0 | 120.3 | | |
| 247 | Q | 29.9 | Very low | 32.3 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | | | trans | 70.1 | 156.1 | 131.5 | -65.2 | -173.4 | -19.7 | 0 | 0 | 117.9 | | |
| 248 | T | 31.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | cis | -151.9 | 164.1 | -10.6 | 14.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 249 | T | 33.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | | 165.4 | 165.4 | 94.4 | 42 | 0 | 0 | 0 | 0 | 107.2 | | |
| 250 | N | 31.9 | Very low | 32.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | cis | -156.3 | 168.9 | 17.4 | -141.5 | -18.5 | 0 | 0 | 0 | 113.9 | | |
| 251 | I | 34.5 | Very low | 32.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | | | trans | 74 | 144.3 | 162.5 | -65.2 | 162.2 | 0 | 0 | 0 | 115.8 | | |
| 252 | T | 34.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | | | cis | -161.2 | -176.7 | -38.3 | 48.9 | 0 | 0 | 0 | 0 | 107 | | |
| 253 | H | 34.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | | | cis | -155.3 | -47.7 | 7.1 | -148.4 | -59.3 | 0 | 0 | 0 | 116.5 | | |
| 254 | T | 33 | Very low | 33.6 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | | | trans | -155.7 | 149.9 | -157.7 | 45.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 255 | E | 31.6 | Very low | 33.9 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | | | cis | -161.8 | 158.5 | -7.6 | -123.8 | 177.6 | -144.8 | 0 | 0 | 111.4 | | |
| 256 | N | 32.6 | Very low | 34 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | trans | 60.4 | 146.2 | 152.1 | -64.9 | -35.5 | 0 | 0 | 0 | 124.6 | | |
| 257 | S | 32.6 | Very low | 34.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | 65.1 | 107.8 | 156.5 | 37.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 258 | Q | 34.3 | Very low | 34.2 | Very low | 185 Ų | 185 | 129.9 Ų | 129.9 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | | 26.9 | 161.3 | 122.8 | -79.3 | -155.8 | 11.7 | 0 | 0 | 123.1 | | |
| 259 | P | 39.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 132 Ų | 132 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | | | cis | -139.6 | -164.3 | -28.3 | 35.2 | -13.2 | 0 | 0 | 0 | 113.8 | | |
| 260 | V | 31.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | | | trans | 63.4 | 150.6 | 169 | -112.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 261 | I | 34.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | cis | -128.4 | 161.5 | 9.3 | -58.5 | 176.7 | 0 | 0 | 0 | 111.4 | | |
| 262 | S | 31.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -70.4 | -173.7 | 176 | 56.9 | 0 | 0 | 0 | 0 | 114 | | |
| 263 | P | 45.1 | Very low | 34 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | cis | -145.1 | 171.1 | 12.9 | 44.3 | -25.2 | 0 | 0 | 0 | 119.5 | | |
| 264 | S | 33.5 | Very low | 33.8 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | | 157.8 | 153 | 117.9 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 265 | L | 36.7 | Very low | 33.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | 70.9 | 81.9 | 163.2 | -96.5 | 66 | 0 | 0 | 0 | 121.9 | | |
| 266 | S | 37.7 | Very low | 33.9 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | | | | 58.7 | 101 | 120.4 | 65.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 267 | D | 32.4 | Very low | 34.1 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | | 42.2 | 116.6 | 111.2 | -46.2 | -41.8 | 0 | 0 | 0 | 119.2 | | |
| 268 | M | 29.9 | Very low | 34.1 | Very low | 176 Ų | 176 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | | 74.6 | 120.4 | 63.2 | -74.5 | -145.9 | -173.6 | 0 | 0 | 116.2 | | |
| 269 | T | 34.7 | Very low | 34 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | | | trans | -165.4 | 112.1 | 137 | 4.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 270 | R | 34.8 | Very low | 33.6 | Very low | 247 Ų | 247 | 133.8 Ų | 133.8 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | | | trans | -152.5 | 144 | 160.7 | -123.1 | -175.2 | -172.1 | -165.1 | 2.7 | 109.5 | | |
| 271 | N | 29 | Very low | 33.8 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | -58.4 | 142.2 | -165.7 | -46.5 | -3.9 | 0 | 0 | 0 | 114.6 | | |
| 272 | M | 31.4 | Very low | 33.9 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | 169.3 | 149.6 | 144.1 | -83.1 | -111.9 | 175.2 | 0 | 0 | 108 | | |
| 273 | T | 33.3 | Very low | 34 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 61% | 0.613 | 75% | 0.754 | S | S | * | * | | | cis | -170 | 140.8 | -21.8 | 20.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 274 | T | 30.1 | Very low | 33.5 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | trans | 56.2 | 170.9 | 155.2 | 58.5 | 0 | 0 | 0 | 0 | 117 | | |
| 275 | S | 33.5 | Very low | 33.7 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | cis | -144.8 | 141.8 | 13.8 | -44.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 276 | T | 33.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | | | | 63.9 | 151.5 | 111.3 | 73.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 277 | T | 35.7 | Very low | 33.9 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | cis | -163.2 | 143.3 | 20.1 | -14.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 278 | T | 33.6 | Very low | 34 | Very low | 114 Ų | 114 | 131 Ų | 131 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | 36.5 | 147.8 | 138.9 | 59.8 | 0 | 0 | 0 | 0 | 123 | | |
| 279 | T | 32.7 | Very low | 34.2 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | cis | -174.4 | 157.1 | -5.5 | 22.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 280 | T | 30.6 | Very low | 34.2 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | | | trans | 51.5 | 131.1 | 153.6 | 55.8 | 0 | 0 | 0 | 0 | 119 | | |
| 281 | T | 35.1 | Very low | 34.2 | Very low | 113 Ų | 113 | 120.2 Ų | 120.2 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | | | | -158.9 | 171.6 | 50.2 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 282 | T | 37.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | | | trans | 57.9 | 139.3 | 151.5 | 44.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 283 | S | 34 | Very low | 34.7 | Very low | 92 Ų | 92 | 117.1 Ų | 117.1 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | | | cis | 178.6 | 147.1 | -22.9 | 38.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 284 | S | 34.4 | Very low | 34.9 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | 64.2 | 152.7 | 173.2 | 15.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 285 | S | 38.2 | Very low | 35.1 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | cis | -161.9 | 155.1 | 3.2 | 40.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 286 | T | 36.6 | Very low | 35 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | cis | -168 | 163 | 8.5 | 5.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 287 | I | 40.1 | Very low | 34.9 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | | | trans | 69.7 | 126.4 | 149.3 | -70.1 | 161.6 | 0 | 0 | 0 | 116.9 | | |
| 288 | N | 36.5 | Very low | 34.9 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | | | cis | -151.8 | 158.7 | -2.9 | -117.1 | 3.2 | 0 | 0 | 0 | 113.7 | | |
| 289 | T | 33 | Very low | 34.9 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | trans | -91.9 | -177.1 | 165.2 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 290 | T | 35.1 | Very low | 34.9 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | cis | -162.4 | 160.6 | 19.4 | -24.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 291 | T | 35.5 | Very low | 35 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | 24 | 137.4 | 151.1 | 48.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 292 | T | 35.3 | Very low | 35 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | cis | -170.2 | 156 | 29.6 | -7.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 293 | I | 34.8 | Very low | 34.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | 66.3 | 124.5 | 158.5 | -61.4 | 158.3 | 0 | 0 | 0 | 114.6 | | |
| 294 | T | 37 | Very low | 34.9 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | cis | -147.6 | 170.4 | 21.6 | -21.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 295 | T | 34 | Very low | 34.9 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | | | trans | -66.3 | 166 | 168.8 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 296 | F | 32.4 | Very low | 34.6 | Very low | 177 Ų | 177 | 141.5 Ų | 141.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | -151.6 | 162.2 | 26.4 | -103.9 | -67.9 | 0 | 0 | 0 | 114.2 | | |
| 297 | N | 32.1 | Very low | 34.3 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -24.4 | 144.7 | 171.1 | -52.3 | -3.6 | 0 | 0 | 0 | 121 | | |
| 298 | V | 34.8 | Very low | 33.8 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -142.8 | 134.2 | 142.6 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 299 | T | 33.7 | Very low | 33.5 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 121.4 | 132.3 | 157.7 | 61.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 300 | N | 33.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | 65.4 | 142.5 | 174.7 | -50.8 | -16.7 | 0 | 0 | 0 | 115.1 | | |
| 301 | D | 32.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | cis | -150.8 | -177.9 | 16.4 | -139.4 | -41.8 | 0 | 0 | 0 | 113.5 | | |
| 302 | E | 33.8 | Very low | 33.6 | Very low | 186 Ų | 186 | 151.5 Ų | 151.5 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | 77.3 | 170.1 | 162.8 | -71.4 | -133.9 | 97 | 0 | 0 | 122.4 | | |
| 303 | R | 30 | Very low | 33.3 | Very low | 217 Ų | 217 | 151.8 Ų | 151.8 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | trans | -114.6 | -168.3 | -156.2 | -129.7 | 179 | 174.1 | -172.5 | 4.2 | 109.4 | | |
| 304 | P | 40.4 | Very low | 33.3 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | | | cis | -140.8 | 175.8 | -12 | 39.7 | -20.2 | 0 | 0 | 0 | 117.4 | | |
| 305 | K | 33.2 | Very low | 33.3 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 81% | 0.809 | 77% | 0.773 | S | S | * | * | | | trans | 42.2 | 126.7 | 142.1 | -66.9 | 167.7 | -177.3 | 174.4 | 0 | 121.4 | | |
| 306 | I | 31.8 | Very low | 33.3 | Very low | 174 Ų | 174 | 159.5 Ų | 159.5 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | | | trans | -110.2 | 130.2 | 160.1 | -62.8 | 173.4 | 0 | 0 | 0 | 110.7 | | |
| 307 | R | 31.3 | Very low | 33.8 | Very low | 235 Ų | 235 | 157 Ų | 157 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -160.7 | 94.1 | 163.9 | -153.1 | 179.3 | -163.6 | -174.1 | 6.1 | 115.3 | | |
| 308 | L | 29.4 | Very low | 33.9 | Very low | 148 Ų | 148 | 155 Ų | 155 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 57.3 | 140.7 | 148.4 | -66.8 | 165.3 | 0 | 0 | 0 | 122.9 | | |
| 309 | T | 29.7 | Very low | 34.5 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | 70.3 | 96.5 | 151 | 44 | 0 | 0 | 0 | 0 | 122.8 | | |
| 310 | I | 34 | Very low | 35 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | 42.9 | 139.4 | 96.1 | -61 | 171.4 | 0 | 0 | 0 | 117.7 | | |
| 311 | P | 40.6 | Very low | 35.2 | Very low | 97 Ų | 97 | 153 Ų | 153 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | cis | -142 | 178.8 | -23.9 | 36.4 | -15 | 0 | 0 | 0 | 116.2 | | |
| 312 | R | 30.3 | Very low | 35.1 | Very low | 206 Ų | 206 | 149 Ų | 149 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | | 158.2 | 127.4 | 119 | -86.7 | -152.5 | 141.7 | 92.8 | 6.3 | 118.9 | | |
| 313 | D | 29.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | | 52.3 | 117.3 | 125.2 | -45.4 | -5.5 | 0 | 0 | 0 | 123.6 | | |
| 314 | R | 35.6 | Very low | 35.2 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | | -161.9 | 112.4 | 129.3 | -98.6 | 157 | -160.5 | -138.1 | 3 | 107.8 | | |
| 315 | I | 35.4 | Very low | 35.1 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | | | | 77.1 | 125.5 | 83.9 | -68.8 | 170 | 0 | 0 | 0 | 112.9 | | |
| 316 | L | 35.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -71.3 | 165.2 | -177 | -63.8 | 163.4 | 0 | 0 | 0 | 113.2 | | |
| 317 | P | 41.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | | -142.2 | 158.4 | 109.7 | 38.8 | -26.9 | 0 | 0 | 0 | 116.4 | | |
| 318 | C | 34.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 69% | 0.689 | 75% | 0.748 | S | S | * | * | | | trans | -137.8 | -166.8 | 167.3 | -42.9 | 0 | 0 | 0 | 0 | 108 | | |
| 319 | P | 47.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | cis | -133.9 | -3.6 | -16.8 | 38.7 | -22.9 | 0 | 0 | 0 | 121.5 | | |
| 320 | P | 44.9 | Very low | 35.9 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | | -119.6 | 164.7 | -128.8 | 41.1 | -27.8 | 0 | 0 | 0 | 118.7 | | |
| 321 | V | 36.1 | Very low | 35.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | | | trans | 75.7 | 132.5 | 166.6 | -161.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 322 | G | 31.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | cis | 126.6 | 161.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 323 | V | 34 | Very low | 35.6 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | cis | -161.7 | 165.6 | 3.4 | -79.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 324 | S | 32.3 | Very low | 35.8 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | 72.6 | 155.4 | 154.9 | 82 | 0 | 0 | 0 | 0 | 117.9 | | |
| 325 | S | 38.6 | Very low | 35.7 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | cis | -148.6 | 150 | 13.2 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 326 | N | 34.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 121 Ų | 121 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | 60.9 | 149.7 | 140.4 | -64.3 | -0.2 | 0 | 0 | 0 | 121.9 | | |
| 327 | S | 37.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | cis | -170.7 | 159.7 | -11.8 | 46 | 0 | 0 | 0 | 0 | 113.4 | | |
| 328 | S | 34.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 62.6 | 151.6 | 157.8 | 44.2 | 0 | 0 | 0 | 0 | 119 | | |
| 329 | C | 33.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | cis | -149.1 | 156.5 | -5.5 | 43.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 330 | N | 31.6 | Very low | 33.6 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | cis | 109.8 | 138.3 | 14.8 | -161.9 | 35 | 0 | 0 | 0 | 114.8 | | |
| 331 | S | 34.4 | Very low | 32.8 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | | | trans | 61.4 | 106.9 | 165.2 | 57.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 332 | Q | 34 | Very low | 32.5 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | | 66.5 | 120.7 | 118.4 | -67.6 | -176.7 | -11.6 | 0 | 0 | 124.4 | | |
| 333 | N | 31.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | | | | 51.1 | 128.2 | 126.1 | -59.6 | -0.4 | 0 | 0 | 0 | 123.2 | | |
| 334 | S | 33 | Very low | 32.3 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | 71.9 | 137.4 | 148 | -60.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 335 | S | 34 | Very low | 32.3 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | cis | -170.7 | 164.6 | -6 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 336 | Q | 33.1 | Very low | 32 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | | | trans | 82.1 | 124.9 | 162 | -61.3 | -171.9 | 2.3 | 0 | 0 | 119.5 | | |
| 337 | L | 29 | Very low | 32.1 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | | 49.3 | 131.5 | 123.2 | -53 | 173.6 | 0 | 0 | 0 | 118.6 | | |
| 338 | T | 32 | Very low | 31.9 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | cis | -151 | 166.8 | 21.6 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 339 | S | 28.5 | Very low | 31.8 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | 62.1 | 146 | 140.6 | 59.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 340 | S | 29.1 | Very low | 31.6 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | | | trans | 59.4 | 97.6 | 144.4 | 57.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 341 | S | 27.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | | 49.2 | 133.3 | 114.8 | 65.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 342 | I | 30.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 135 Ų | 135 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | 77.9 | 129.4 | 138.4 | -69.4 | 166.7 | 0 | 0 | 0 | 117.4 | | |
| 343 | E | 30.7 | Very low | 31.8 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 65.4 | 142.3 | 157.9 | -75.5 | 149.3 | -157.3 | 0 | 0 | 121.5 | | |
| 344 | D | 31 | Very low | 31.8 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | 66.4 | 103 | 136.4 | -68.3 | 18.4 | 0 | 0 | 0 | 122.9 | | |
| 345 | S | 32.1 | Very low | 31.7 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | | 108.7 | 137.7 | 111.7 | -67.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 346 | D | 31.3 | Very low | 31.5 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 64.3 | 130.4 | 143.7 | -74.2 | -31.2 | 0 | 0 | 0 | 121.3 | | |
| 347 | H | 37.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | cis | -133.9 | -167.9 | -15.1 | -41.5 | -77.8 | 0 | 0 | 0 | 107.7 | | |
| 348 | S | 32.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | | | cis | -163.5 | 160.9 | 1.7 | 39.9 | 0 | 0 | 0 | 0 | 107 | | |
| 349 | S | 32.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | cis | -153.3 | 149.1 | -21.5 | 49.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 350 | F | 30 | Very low | 32.1 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 87% | 0.868 | 73% | 0.73 | S | S | * | * | | | trans | -93.8 | -166.8 | -166.5 | -151.5 | -116.1 | 0 | 0 | 0 | 114 | | |
| 351 | L | 40.4 | Very low | 32.5 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 171 | -178.7 | -78.2 | 127.7 | 0 | 0 | 0 | 114.9 | | |
| 352 | E | 30.9 | Very low | 33 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | | | trans | 78.8 | 151 | 163.9 | -69.6 | -176.5 | 113.8 | 0 | 0 | 120.1 | | |
| 353 | L | 32.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | | | trans | -103.1 | 158.5 | 175.1 | -64.6 | 159.9 | 0 | 0 | 0 | 106.8 | | |
| 354 | N | 30.2 | Very low | 33.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | | | cis | -157.8 | 123.4 | 8.3 | -127 | -0.8 | 0 | 0 | 0 | 111.6 | | |
| 355 | T | 31.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | | | | 51.3 | 121.3 | 123.7 | 62.4 | 0 | 0 | 0 | 0 | 123.6 | | |
| 356 | S | 30.4 | Very low | 34 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | -174.9 | 131.2 | 147.9 | -88.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 357 | L | 32.7 | Very low | 34.2 | Very low | 149 Ų | 149 | 133.7 Ų | 133.7 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | cis | -152.4 | 173.2 | -8.4 | -68.6 | 174.5 | 0 | 0 | 0 | 105.8 | | |
| 358 | K | 34.6 | Very low | 34 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | cis | -166.4 | 159 | 1.9 | -134 | 171.5 | 170.6 | -139.9 | 0 | 109.7 | | |
| 359 | H | 35.8 | Very low | 34 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 59% | 0.593 | 74% | 0.743 | S | S | * | * | | | trans | 64.1 | 144.1 | 153 | -61.8 | -46.4 | 0 | 0 | 0 | 120.3 | | |
| 360 | D | 32.6 | Very low | 34 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | | | cis | -159.5 | 173.7 | -15.9 | -110.8 | -3.6 | 0 | 0 | 0 | 111.5 | | |
| 361 | D | 36.5 | Very low | 34 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | | | trans | 63.3 | 127.8 | 168.4 | -61.3 | -34.1 | 0 | 0 | 0 | 118.1 | | |
| 362 | S | 38.8 | Very low | 33.5 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | cis | -169.1 | -179.5 | -5 | 52.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 363 | I | 39.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | cis | -148.4 | 142.8 | 8.4 | -30.9 | 154.8 | 0 | 0 | 0 | 109.1 | | |
| 364 | S | 36.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | 65.3 | 157.8 | 157.2 | 80.6 | 0 | 0 | 0 | 0 | 120 | | |
| 365 | T | 39.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | cis | -167.5 | 175.3 | -36.8 | 35.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 366 | A | 30 | Very low | 34.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 61% | 0.612 | 74% | 0.739 | S | S | * | * | | | | 176.7 | 151 | -72.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 367 | T | 34.3 | Very low | 34 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | | | trans | 69.5 | 166.2 | 169.4 | 86.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 368 | K | 34.3 | Very low | 34.1 | Very low | 177 Ų | 177 | 132 Ų | 132 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | cis | -164.6 | 147.2 | -12.5 | -129.3 | 176 | -177.8 | -180 | 0 | 113 | | |
| 369 | T | 31.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | 40.8 | 145.7 | 144.5 | 44.6 | 0 | 0 | 0 | 0 | 126.1 | | |
| 370 | T | 32.3 | Very low | 35 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | | | trans | 81.9 | 117.4 | 145.1 | 23.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 371 | T | 29.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | | | trans | 48.3 | 152.5 | 132.2 | 55.1 | 0 | 0 | 0 | 0 | 124.8 | | |
| 372 | H | 31.3 | Very low | 34.4 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | | | trans | 85.1 | 150.2 | 156.9 | -90.6 | -81 | 0 | 0 | 0 | 119.7 | | |
| 373 | F | 28 | Very low | 34.2 | Very low | 190 Ų | 190 | 136.5 Ų | 136.5 | 83% | 0.833 | 75% | 0.748 | S | S | * | * | | | trans | -54 | 137.3 | 168.3 | -80.1 | -118.1 | 0 | 0 | 0 | 111 | | |
| 374 | I | 29 | Very low | 34.3 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | | | | -173.5 | 139.7 | 121.3 | -95.6 | 151.6 | 0 | 0 | 0 | 107.5 | P376 | I374-P376 HydrophobicContact CG2-CG 4.06Å; I374-P376 WeakPolarHBondContact O-CD 3.16Å |
| 375 | A | 42.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -106.5 | 115.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 376 | P | 37.4 | Very low | 34.3 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | | | trans | -125 | 139 | 157.5 | 37.1 | -21 | 0 | 0 | 0 | 109 | I374 | I374-P376 HydrophobicContact CG2-CG 4.06Å; I374-P376 WeakPolarHBondContact O-CD 3.16Å |
| 377 | V | 27.4 | Very low | 34.8 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | | 59 | 112.5 | 56.2 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 378 | E | 33.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | cis | -126.6 | 158.2 | 29.7 | -66.5 | -170.2 | 109.2 | 0 | 0 | 115.3 | R381 | E378-R381 IonicContact OE1-NH2 3.29Š|
| 379 | L | 41.4 | Very low | 34.6 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | | | trans | -76.8 | 132.6 | 156.4 | -68.5 | 157.1 | 0 | 0 | 0 | 110 | R381 | L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 3.36Å |
| 380 | P | 47.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | trans | -67.4 | 99.7 | 135.9 | 29.8 | -27.2 | 0 | 0 | 0 | 106.3 | | |
| 381 | R | 29.6 | Very low | 35.1 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 63% | 0.63 | 74% | 0.743 | S | S | * | * | | | | 54.2 | 106.3 | 87.2 | -64.6 | 178.5 | -171.3 | -177.1 | 6 | 110.1 | E378 L379 | E378-R381 IonicContact OE1-NH2 3.29Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 3.36Å |
| 382 | R | 28.8 | Very low | 35.4 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | | | | 119.7 | 155.8 | 79 | -93.7 | -175.8 | -174.9 | -157.3 | 0.7 | 106.2 | | |
| 383 | S | 33.9 | Very low | 35.2 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -167.4 | 126.5 | -12 | 41.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 384 | S | 40.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -163.1 | 83.3 | 148 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 385 | T | 41 | Very low | 36.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | | 71.9 | 126.8 | 79.9 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 386 | T | 36.2 | Very low | 35.6 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | | | trans | 55.5 | 137.1 | 136.4 | 62.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 387 | L | 40.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 128.8 Ų | 128.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | cis | -137.1 | 142.9 | 22.1 | -86.1 | 92.7 | 0 | 0 | 0 | 112.1 | | |
| 388 | S | 28.2 | Very low | 35.3 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | trans | -78 | 151.8 | 140.2 | -49.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 389 | P | 35.9 | Very low | 35.1 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | | -143 | 172.6 | 103.1 | 25.1 | -4.8 | 0 | 0 | 0 | 115 | | |
| 390 | H | 35 | Very low | 34.7 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | | | trans | 2.3 | 128.4 | 141.2 | -43.3 | -60.3 | 0 | 0 | 0 | 115.7 | | |
| 391 | T | 38.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | | | cis | -160 | 179.1 | 12.9 | 0.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 392 | F | 37.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | | | cis | -141.5 | -165.1 | 23.3 | -123 | -56.3 | 0 | 0 | 0 | 113.2 | | |
| 393 | N | 26.9 | Very low | 34.4 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | trans | -153.5 | 179.5 | -178.7 | -135.8 | 5.6 | 0 | 0 | 0 | 105 | | |
| 394 | P | 42.1 | Very low | 34.3 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 60% | 0.597 | 73% | 0.734 | S | S | * | * | | | cis | -139.6 | -173.9 | 15.4 | 36 | -12.6 | 0 | 0 | 0 | 115.9 | | |
| 395 | T | 34.4 | Very low | 34.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | 50.1 | 129.7 | 147.9 | 46.2 | 0 | 0 | 0 | 0 | 119 | | |
| 396 | G | 30.1 | Very low | 33.8 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | | 119.5 | 163.5 | 66.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 397 | G | 29.6 | Very low | 33.8 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 76% | 0.763 | 73% | 0.729 | S | S | * | * | | | cis | 114.5 | 51.6 | 27 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 398 | M | 29.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 74% | 0.739 | 73% | 0.726 | S | S | * | * | | | trans | 67.6 | 145.2 | 172 | -63.2 | -173.6 | 64.6 | 0 | 0 | 120.1 | | |
| 399 | R | 29.9 | Very low | 34 | Very low | 205 Ų | 205 | 130.7 Ų | 130.7 | 77% | 0.774 | 72% | 0.724 | S | S | * | * | | | trans | 66.9 | 124.9 | 147.8 | -81.8 | -178.6 | 171.5 | 143.1 | -1.7 | 121.4 | | |
| 400 | L | 33 | Very low | 34 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | | 38.7 | 137.9 | 116.4 | -82.7 | 69 | 0 | 0 | 0 | 119.2 | | |
| 401 | P | 40.1 | Very low | 34 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | | | | -87.1 | 141.8 | 83.2 | -24.1 | 36.7 | 0 | 0 | 0 | 112.4 | | |
| 402 | E | 29 | Very low | 33.5 | Very low | 151 Ų | 151 | 136 Ų | 136 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 63.4 | 130.4 | 69.4 | -60.4 | -169.5 | 123.3 | 0 | 0 | 112.9 | | |
| 403 | I | 31.1 | Very low | 33.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | cis | -155.7 | 144.6 | 5.2 | -129.4 | 165.1 | 0 | 0 | 0 | 111.2 | | |
| 404 | Q | 31.8 | Very low | 33.6 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | 63.5 | 162.7 | 160.3 | -68.1 | 172.7 | 6 | 0 | 0 | 117.3 | | |
| 405 | I | 36.2 | Very low | 32.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | cis | -145.2 | 162 | -5.2 | -129.4 | 159.9 | 0 | 0 | 0 | 110.8 | | |
| 406 | E | 33.8 | Very low | 32.6 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | | | trans | 6.5 | 136.3 | 160.9 | -52.4 | 153.9 | -176.4 | 0 | 0 | 119.5 | | |
| 407 | N | 37.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | | -167.7 | 167.1 | 60.4 | -88.6 | -85.8 | 0 | 0 | 0 | 109.8 | | |
| 408 | S | 32.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | cis | 163 | 145.8 | -18.9 | -170.8 | 0 | 0 | 0 | 0 | 104.5 | | |
| 409 | P | 39.5 | Very low | 33.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | | | trans | -109.3 | 173.7 | -156.5 | 41.2 | -35.8 | 0 | 0 | 0 | 115.3 | | |
| 410 | Q | 37.2 | Very low | 33.2 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | -162 | 144.4 | 156.9 | -104.9 | 162.6 | 19.5 | 0 | 0 | 110.6 | | |
| 411 | S | 34.9 | Very low | 33.2 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | cis | -172.8 | 144.8 | -37.4 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 412 | F | 27.1 | Very low | 32.9 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.873 | 75% | 0.747 | S | S | * | * | | | trans | -92.2 | 141.8 | 173 | -78.5 | -106.7 | 0 | 0 | 0 | 112.3 | | |
| 413 | Y | 33.1 | Very low | 32.9 | Very low | 217 Ų | 217 | 135.1 Ų | 135.1 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | -168.8 | 143.3 | 158.9 | -87.5 | -58.4 | 0 | 0 | 0 | 107.4 | | |
| 414 | T | 32.8 | Very low | 33 | Very low | 100 Ų | 100 | 139 Ų | 139 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | | | cis | 71.7 | 134.4 | 2.7 | 77.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 415 | D | 27.2 | Very low | 33.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | cis | -162.1 | 163.2 | -10.2 | -127.6 | -46.4 | 0 | 0 | 0 | 112.8 | | |
| 416 | A | 28.5 | Very low | 33.4 | Very low | 81 Ų | 81 | 135.3 Ų | 135.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | 57.2 | -177.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 417 | I | 33.7 | Very low | 33.4 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 66.6 | 110.9 | 179.1 | -46.6 | 178.5 | 0 | 0 | 0 | 114.3 | | |
| 418 | G | 28.2 | Very low | 33.2 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | cis | 98 | 85.3 | 4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 419 | T | 37.3 | Very low | 33.3 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -125.7 | 142.1 | -174.8 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 420 | L | 33.7 | Very low | 33.1 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -50.1 | 151.5 | 179.8 | -89.1 | 59.4 | 0 | 0 | 0 | 115.4 | | |
| 421 | N | 31.6 | Very low | 32.9 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 35 | 115.9 | 136.4 | -48.7 | -17.2 | 0 | 0 | 0 | 118.5 | | |
| 422 | T | 35.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | | -173.7 | 165.1 | 98.8 | 24.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 423 | C | 27.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | | | trans | -68.3 | 162.9 | -172 | -43.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 424 | K | 34.5 | Very low | 33.2 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | | | trans | 119.6 | 101.1 | 152.4 | -66.3 | 165.8 | -177 | 174.3 | 0 | 116 | | |
| 425 | S | 32.1 | Very low | 33.1 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | | | | -62.2 | 160.2 | 129.9 | 56.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 426 | P | 43.4 | Very low | 33.2 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | | -155.9 | -164.8 | 51.4 | 37.3 | -11.6 | 0 | 0 | 0 | 116.7 | | |
| 427 | K | 33.7 | Very low | 33.2 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | | | trans | 74.5 | 151.8 | 161.4 | -60.3 | 175.8 | -176.8 | -179.8 | 0 | 115.7 | | |
| 428 | W | 33.2 | Very low | 33.1 | Very low | 207 Ų | 207 | 130.2 Ų | 130.2 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | | | cis | -174.1 | 159.8 | -9.8 | -104 | -5 | 0 | 0 | 0 | 107.7 | | |
| 429 | T | 34 | Very low | 33.2 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | | | cis | -172.1 | 168.2 | -22.6 | 19.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 430 | K | 35.4 | Very low | 33 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | trans | 77.8 | 135.8 | 143.5 | -85.1 | 167.8 | 169.5 | -170.6 | 0 | 122 | | |
| 431 | Q | 34.3 | Very low | 32.8 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | | | trans | 87.6 | 88.6 | 132 | -75.2 | 168.1 | -47.2 | 0 | 0 | 122.4 | | |
| 432 | T | 30.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | | | | -4.5 | 167 | 105.3 | 41.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 433 | P | 43.2 | Very low | 32.5 | Very low | 102 Ų | 102 | 135 Ų | 135 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | | | cis | -145.8 | -162.3 | -26.1 | 38 | -16.6 | 0 | 0 | 0 | 114.6 | | |
| 434 | C | 26.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 72% | 0.716 | 72% | 0.723 | S | S | * | * | | | trans | 73.6 | 159.4 | 143 | -76.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 435 | I | 31 | Very low | 32.8 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | cis | -159.1 | 154.9 | -10.9 | -122.1 | 168.4 | 0 | 0 | 0 | 112.8 | | |
| 436 | N | 28.1 | Very low | 32.7 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 66% | 0.658 | 72% | 0.716 | S | S | * | * | | | trans | 36.7 | 147.5 | 152.9 | -54.4 | -12.7 | 0 | 0 | 0 | 126 | | |
| 437 | T | 28.8 | Very low | 32 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | trans | 44.1 | 148.4 | 133.3 | 61.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 438 | S | 31.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | | | cis | -175 | -178.5 | -9.1 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 439 | N | 31.2 | Very low | 31.7 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | trans | 81.1 | 121.9 | 147.6 | -70.9 | -8 | 0 | 0 | 0 | 123.4 | | |
| 440 | V | 33.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | | | | 76.7 | 103.5 | 123.8 | 179.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 441 | M | 29.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | | | trans | 67.2 | 135.3 | 133.1 | -64.7 | 176.7 | 66.6 | 0 | 0 | 124.5 | | |
| 442 | Q | 30.8 | Very low | 31 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | trans | 74.5 | 98.2 | 143.2 | -75.1 | 173.4 | -23.9 | 0 | 0 | 122.1 | | |
| 443 | L | 29 | Very low | 31.4 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | | | trans | -7.5 | 140.1 | 131.1 | -79.7 | 163.3 | 0 | 0 | 0 | 116.7 | | |
| 444 | P | 39.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | | -150 | 141.5 | 81 | 38.4 | -20.3 | 0 | 0 | 0 | 119.6 | | |
| 445 | K | 30 | Very low | 32 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | | | trans | 58 | 108.2 | 132.6 | -64 | 178.6 | -179.7 | 175.2 | 0 | 123.2 | | |
| 446 | L | 29.1 | Very low | 32.3 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | | 87.9 | 143.7 | 113.8 | -69 | 172.4 | 0 | 0 | 0 | 123.8 | | |
| 447 | F | 29.3 | Very low | 32.6 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | trans | 77.4 | 99.9 | 152.5 | -74.5 | -63.2 | 0 | 0 | 0 | 123.1 | | |
| 448 | I | 30.3 | Very low | 33 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 40.8 | 120.6 | 132.7 | -47.9 | 171.6 | 0 | 0 | 0 | 117.7 | | |
| 449 | S | 29.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | | | | -169.4 | 158.6 | 90.8 | -66.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 450 | S | 30.9 | Very low | 33.7 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -76.7 | 152.6 | -164.3 | -44.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 451 | T | 28.9 | Very low | 34.2 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | 60.9 | 124.2 | 131.9 | 54.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 452 | T | 30.8 | Very low | 34.4 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | | -165 | 123.4 | 122.6 | 28.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 453 | I | 37.6 | Very low | 34.3 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | | 73.4 | 141.4 | 77 | -69.4 | 176.1 | 0 | 0 | 0 | 112.8 | | |
| 454 | P | 48.2 | Very low | 34.3 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | | | cis | -114.4 | 175 | 6 | 20.8 | 3.6 | 0 | 0 | 0 | 113.9 | | |
| 455 | S | 34.6 | Very low | 33.9 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | | | cis | -162.5 | 177.9 | 47.8 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 456 | S | 36.8 | Very low | 34 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 75.7 | 80.7 | -175 | 64.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 457 | S | 35.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | | | trans | -24.7 | 158.5 | 145.2 | 47.3 | 0 | 0 | 0 | 0 | 119 | | |
| 458 | S | 36.6 | Very low | 33.9 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | cis | -175 | 175.4 | -10.1 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 459 | S | 36.4 | Very low | 34 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | 82.1 | 138.1 | 160.4 | 78.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 460 | T | 41.2 | Very low | 34.3 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | | | cis | -166.5 | 163.5 | -40.3 | 17.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 461 | P | 43.7 | Very low | 34.4 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 57% | 0.571 | 73% | 0.728 | S | S | * | * | | | | -142.6 | -134.6 | -124.2 | 41.8 | -17.2 | 0 | 0 | 0 | 114.6 | | |
| 462 | F | 33.3 | Very low | 34.5 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 75% | 0.75 | 72% | 0.716 | S | S | * | * | | | trans | 74.8 | 149 | 168.2 | -51.9 | -49 | 0 | 0 | 0 | 117.3 | | |
| 463 | D | 29.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | cis | -155.1 | 149.6 | -21.6 | -102.8 | -17.2 | 0 | 0 | 0 | 108.2 | | |
| 464 | L | 28.4 | Very low | 34.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | | | | 80.1 | 153.9 | 61.5 | -126.3 | 174.2 | 0 | 0 | 0 | 113.5 | | |
| 465 | I | 30.5 | Very low | 33.9 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | | | trans | 90.7 | 102.7 | 163.1 | -60.8 | -176.6 | 0 | 0 | 0 | 121 | | |
| 466 | I | 31.9 | Very low | 33.6 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | | | trans | 67.7 | 100.5 | 130.1 | -58.1 | -178.4 | 0 | 0 | 0 | 122.3 | | |
| 467 | S | 26 | Very low | 33.3 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | | | | 76.3 | 149.1 | 117.3 | -153.6 | 0 | 0 | 0 | 0 | 125.4 | | |
| 468 | T | 31.2 | Very low | 33 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 67% | 0.672 | S | S | * | * | | | trans | 96.8 | 144.4 | 155.5 | 80.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 469 | K | 32.3 | Very low | 32.6 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | | | trans | 70.6 | 106.3 | 151.8 | -73.5 | 163.1 | -177.7 | 170.9 | 0 | 122 | | |
| 470 | K | 35.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 131 Ų | 131 | 65% | 0.652 | 67% | 0.669 | S | S | * | * | | | | 32 | 114.8 | 125 | -64.2 | -176.8 | 171.9 | -160.2 | 0 | 120.5 | H657 | K470-H657 WeakPolarHBondContact CE-CE1 3.42Å; K470-H657 PolarHBondContact NZ-CE1 3.05Å; K470-H657 PolarHBondContact NZ-NE2 3.21Å; K470-H657 VanDerWaalsContact NZ-NE2 3.11Å |
| 471 | R | 32.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | | | | 66.1 | 167 | 129.4 | -61.9 | -171.5 | 171.5 | -143.9 | 0.1 | 117.7 | S656 H657 | R471-S656 PolarHBondContact NH1-O 2.91Å; R471-H657 VanDerWaalsContact CD-CE1 3.47Å; R471-H657 WeakPolarHBondContact CD-CE1 3.19Å; R471-H657 PolarHBondContact NE-CE1 2.98Å; R471-H657 VanDerWaalsContact NE-CE1 3.25Å; R471-H657 PolarHBondContact NE-ND1 2.94Å |
| 472 | H | 32.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 53% | 0.528 | 68% | 0.677 | S | S | . | * | | | cis | -153.8 | 152.6 | 15.9 | -139.8 | -31.4 | 0 | 0 | 0 | 112.9 | L655 | H472-L655 PolarHBondContact NE2-O 3.03Š|
| 473 | R | 34.2 | Very low | 31 | Very low | 136 Ų | 136 | 130 Ų | 130 | 51% | 0.513 | 68% | 0.678 | S | S | . | * | | | trans | 50.5 | 113.2 | 139.4 | -97.1 | -175 | 175.7 | -154 | -5.1 | 122 | M654 L655 | R473-M654 PolarHBondContact NH1-O 2.84Å; R473-L655 WeakPolarHBondContact CD-O 3.35Å; R473-L655 PolarHBondContact NE-O 3.25Å; R473-L655 PolarHBondContact NH1-O 3.01Å; R473-L655 VanDerWaalsContact NH1-O 3.14Å |
| 474 | Q | 34.4 | Very low | 31.7 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | | | | 77.6 | 131 | 108.3 | -86.8 | -173.2 | -35.9 | 0 | 0 | 124.3 | | |
| 475 | L | 33.9 | Very low | 31.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | | | | 95.9 | 130.4 | 123.4 | -81.1 | 169.6 | 0 | 0 | 0 | 122.4 | | |
| 476 | R | 29.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 127.8 Ų | 127.8 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | | | trans | 69.1 | 159.3 | 142.2 | -92 | 175.5 | 167.5 | 143 | -1.9 | 118 | E478 | R476-E478 IonicContact NE-OE1 3.9Å; R476-E478 PolarHBondContact NE-OE1 3.08Å |
| 477 | S | 31 | Very low | 32 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | | | cis | -147.1 | 155.5 | 0.8 | 0.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 478 | E | 29.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | | | | 30.1 | 143.7 | 118.9 | -54.5 | 158.1 | -134.9 | 0 | 0 | 119.2 | R476 | R476-E478 IonicContact NE-OE1 3.9Å; R476-E478 PolarHBondContact NE-OE1 3.08Å |
| 479 | S | 28.6 | Very low | 32.4 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | | | cis | -173.7 | 169.5 | -10.5 | 58 | 0 | 0 | 0 | 0 | 110.3 | | |
| 480 | C | 26.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | 49 | 133.4 | 152.7 | -59.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 481 | L | 29.1 | Very low | 32.3 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 83% | 0.827 | 67% | 0.668 | S | S | * | * | | | | -168.9 | 175.7 | 68.8 | -86.7 | 170.4 | 0 | 0 | 0 | 112 | | |
| 482 | S | 34.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | | | trans | 65.7 | 100.5 | 163.4 | -55.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 483 | S | 30.1 | Very low | 32.5 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | | | cis | 77.3 | 155.3 | 31.2 | -35.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 484 | P | 44.1 | Very low | 32.4 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | | | | -145.1 | -170.6 | -100.2 | 38.8 | -16.5 | 0 | 0 | 0 | 116.5 | | |
| 485 | G | 31.1 | Very low | 32.3 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | | | trans | 116.8 | 169.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 486 | N | 33.4 | Very low | 32.2 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | | | cis | -167.6 | 178.3 | -24.4 | -137 | 24.7 | 0 | 0 | 0 | 112.4 | | |
| 487 | E | 33.6 | Very low | 32.4 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | | | trans | 71.9 | 159.9 | 160.7 | -69.5 | 168.7 | -147.4 | 0 | 0 | 120.7 | | |
| 488 | E | 31.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | | | cis | -164.1 | -178.4 | -45.5 | -173.1 | 157.6 | -140.3 | 0 | 0 | 108.9 | | |
| 489 | Y | 34.9 | Very low | 32.3 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | trans | 80.3 | 131.1 | 166.6 | -66.2 | -92.3 | 0 | 0 | 0 | 118.8 | | |
| 490 | E | 32.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 57% | 0.565 | 72% | 0.722 | S | S | * | * | | | cis | -158.3 | 172.5 | -19.9 | -137.8 | -141.3 | 150.1 | 0 | 0 | 115.2 | R494 | E490-R494 IonicContact OE1-CZ 2.84Å; E490-R494 VanDerWaalsContact OE1-CZ 3.31Å; E490-R494 IonicContact OE1-NH1 3.79Å; E490-R494 PolarHBondContact OE1-NH1 3.26Å; E490-R494 IonicContact OE1-NH2 3.36Å; E490-R494 PolarHBondContact OE1-NH2 2.96Å |
| 491 | C | 31.5 | Very low | 32.7 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 41% | 0.412 | 73% | 0.73 | S | S | . | * | | | trans | 33.9 | 125.7 | 146.6 | -99.5 | 0 | 0 | 0 | 0 | 121.3 | R494 | C491-R494 PolarHBondContact SG-NH1 2.7Š|
| 492 | T | 34.3 | Very low | 33.1 | Very low | 88 Ų | 88 | 144 Ų | 144 | 54% | 0.54 | 72% | 0.722 | S | S | . | * | | | cis | -160.4 | 169.2 | 22.7 | 40.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 493 | K | 34.6 | Very low | 33.2 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | cis | -132.1 | 150 | 7.4 | -78.7 | 87.1 | -169 | 158.1 | 0 | 107.5 | | |
| 494 | R | 32.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 59% | 0.589 | 73% | 0.728 | S | S | * | * | | | cis | 65 | 90.4 | 18.8 | -46.8 | -177.3 | -176.2 | 174.5 | 6.8 | 114.3 | E490 C491 | E490-R494 IonicContact OE1-CZ 2.84Å; E490-R494 VanDerWaalsContact OE1-CZ 3.31Å; E490-R494 IonicContact OE1-NH1 3.79Å; E490-R494 PolarHBondContact OE1-NH1 3.26Å; E490-R494 IonicContact OE1-NH2 3.36Å; E490-R494 PolarHBondContact OE1-NH2 2.96Å; C491-R494 PolarHBondContact SG-NH1 2.7Å |
| 495 | R | 32.4 | Very low | 32.7 | Very low | 230 Ų | 230 | 154 Ų | 154 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | | | cis | -179.4 | 162.9 | -15.1 | -104.4 | 168.4 | 158.1 | 103.6 | -9.6 | 106.2 | | |
| 496 | K | 31.9 | Very low | 32.6 | Very low | 172 Ų | 172 | 159 Ų | 159 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | cis | 90.9 | 126.2 | 33.9 | -134.7 | -170.6 | -178.4 | -166 | 0 | 116.9 | | |
| 497 | H | 32.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 162.9 Ų | 162.9 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | trans | 81.1 | 149.5 | 158.6 | -77.8 | -67.3 | 0 | 0 | 0 | 124.6 | | |
| 498 | S | 27.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 163 Ų | 163 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -97.3 | 141 | 161.2 | 165.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 499 | Q | 31.9 | Very low | 32.4 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | | | trans | -175.6 | 128.4 | 132.5 | -94.6 | -92.1 | -3.9 | 0 | 0 | 111.1 | | |
| 500 | K | 29.7 | Very low | 32.2 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | | | trans | 46.2 | 109.9 | 139.6 | -158.6 | 173.7 | -168 | 176.8 | 0 | 119.7 | | |
| 501 | K | 34.3 | Very low | 32.3 | Very low | 213 Ų | 213 | 160 Ų | 160 | 93% | 0.926 | 73% | 0.727 | S | S | * | * | | | trans | -150.1 | 127.9 | 151.3 | -138 | 170.7 | -170.5 | 173.8 | 0 | 110.2 | | |
| 502 | D | 36.2 | Very low | 32.5 | Very low | 123 Ų | 123 | 161.9 Ų | 161.9 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | | | trans | -117 | 138.3 | 168.7 | -157.9 | 4.9 | 0 | 0 | 0 | 110.8 | | |
| 503 | K | 37.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 163.4 Ų | 163.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | | | trans | 19.8 | 115.8 | 172.6 | -69.7 | 162.3 | -155.3 | 81.4 | 0 | 120.6 | | |
| 504 | R | 29.9 | Very low | 32.5 | Very low | 232 Ų | 232 | 161.9 Ų | 161.9 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | | | trans | -164.1 | 145.6 | 135.6 | -104.4 | 175.3 | -173 | -166.2 | 3 | 107.7 | | |
| 505 | K | 33.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 161 Ų | 161 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | | | cis | -159.4 | 153.4 | -4 | -155.1 | 176.5 | 179.9 | -168.6 | 0 | 110.5 | | |
| 506 | R | 29.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | | | trans | 1 | 136.7 | 160.3 | -55.7 | 176.9 | -166.3 | 177.7 | -0.3 | 120.9 | D509 | R506-D509 VanDerWaalsContact CD-OD2 3.26Å; R506-D509 WeakPolarHBondContact CD-OD2 3.46Å; R506-D509 IonicContact CZ-OD2 3.17Å; R506-D509 IonicContact NE-OD2 3.81Å; R506-D509 IonicContact NH1-OD2 2.91Å; R506-D509 PolarHBondContact NH1-OD2 3.17Å |
| 507 | R | 30.5 | Very low | 32.4 | Very low | 231 Ų | 231 | 154.6 Ų | 154.6 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | | | | -133.8 | 155.8 | 102.6 | -64.7 | -168.3 | -179.1 | -169.3 | -0.7 | 107.1 | | |
| 508 | H | 31.2 | Very low | 32.1 | Very low | 171 Ų | 171 | 157.4 Ų | 157.4 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | cis | -107.6 | 162.7 | 4.5 | -96.5 | -99.2 | 0 | 0 | 0 | 113.7 | | |
| 509 | D | 31.8 | Very low | 32.3 | Very low | 78 Ų | 78 | 162.4 Ų | 162.4 | 42% | 0.417 | 74% | 0.735 | S | S | . | * | | | trans | -121 | 139.8 | 157.2 | -91.3 | -68.2 | 0 | 0 | 0 | 107.5 | R506 | R506-D509 VanDerWaalsContact CD-OD2 3.26Å; R506-D509 WeakPolarHBondContact CD-OD2 3.46Å; R506-D509 IonicContact CZ-OD2 3.17Å; R506-D509 IonicContact NE-OD2 3.81Å; R506-D509 IonicContact NH1-OD2 2.91Å; R506-D509 PolarHBondContact NH1-OD2 3.17Å |
| 510 | Q | 30.1 | Very low | 32.4 | Very low | 170 Ų | 170 | 162.4 Ų | 162.4 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | | | trans | 48.5 | 117.8 | 138.3 | -59.4 | 165.9 | 57.2 | 0 | 0 | 123 | | |
| 511 | T | 36.1 | Very low | 32.6 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | | | | -157.5 | 142.6 | 122.8 | 47 | 0 | 0 | 0 | 0 | 105.8 | | |
| 512 | S | 35.1 | Very low | 32.6 | Very low | 99 Ų | 99 | 156.7 Ų | 156.7 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | cis | -141.8 | 149 | 5.1 | 64.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 513 | D | 34.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 161.9 Ų | 161.9 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | | | | 62.4 | 136.8 | 76.7 | -45.3 | -55.4 | 0 | 0 | 0 | 114.6 | | |
| 514 | H | 34.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 160.9 Ų | 160.9 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | | | cis | -160.9 | -176.3 | -6.1 | -127.1 | 69.3 | 0 | 0 | 0 | 111.9 | | |
| 515 | H | 30.6 | Very low | 32.5 | Very low | 137 Ų | 137 | 158.2 Ų | 158.2 | 63% | 0.634 | 72% | 0.716 | S | S | * | * | | | trans | -12 | 169.6 | 155.3 | -73.1 | 7.7 | 0 | 0 | 0 | 122.1 | | |
| 516 | H | 30.9 | Very low | 32.6 | Very low | 130 Ų | 130 | 156.8 Ų | 156.8 | 60% | 0.602 | 73% | 0.726 | S | S | * | * | | | cis | -164.8 | 178.6 | 8.1 | -124.8 | 1.9 | 0 | 0 | 0 | 115 | | |
| 517 | H | 32.4 | Very low | 32.8 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | | | trans | 55.9 | 124.1 | 146.5 | -76.1 | -52.7 | 0 | 0 | 0 | 124.7 | | |
| 518 | Y | 27.4 | Very low | 33 | Very low | 222 Ų | 222 | 151.3 Ų | 151.3 | 87% | 0.871 | 73% | 0.726 | S | S | * | * | | | trans | -49.4 | 128.8 | 133.4 | -98.6 | -108.2 | 0 | 0 | 0 | 111.2 | | |
| 519 | Y | 31.9 | Very low | 33.3 | Very low | 210 Ų | 210 | 147.9 Ų | 147.9 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | | | trans | -168.1 | 124.4 | 142.6 | -102.6 | -67 | 0 | 0 | 0 | 111.6 | | |
| 520 | H | 33.5 | Very low | 33.6 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | -98.1 | 148.3 | 146 | -89.9 | -108.6 | 0 | 0 | 0 | 106.4 | | |
| 521 | H | 33.4 | Very low | 34 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | | | cis | -150.5 | 162.5 | 22 | -140.3 | -77.7 | 0 | 0 | 0 | 112.7 | | |
| 522 | H | 34.1 | Very low | 33.9 | Very low | 145 Ų | 145 | 147 Ų | 147 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | trans | 83.2 | 110.5 | 160 | -71.9 | -64.9 | 0 | 0 | 0 | 123.7 | | |
| 523 | R | 32.9 | Very low | 33.9 | Very low | 232 Ų | 232 | 150.1 Ų | 150.1 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | | | trans | 69.1 | 133.1 | 140.4 | -74.8 | -178.7 | 170.4 | -175.1 | -2.3 | 117.8 | | |
| 524 | Q | 34.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | cis | -139.3 | 153.5 | 15.8 | -64.4 | -170.7 | 32 | 0 | 0 | 115 | | |
| 525 | K | 34.3 | Very low | 33.7 | Very low | 176 Ų | 176 | 152.8 Ų | 152.8 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | 64.9 | 117.3 | 145.4 | -74 | 170.6 | 178.9 | 172.9 | 0 | 122.8 | | |
| 526 | S | 34.9 | Very low | 33.7 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | | | trans | 57.5 | 131.1 | 141.2 | 55.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 527 | G | 33.6 | Very low | 33.8 | Very low | 62 Ų | 62 | 153.4 Ų | 153.4 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | cis | 168.9 | 159.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 528 | Y | 35.9 | Very low | 33.7 | Very low | 226 Ų | 226 | 151.5 Ų | 151.5 | 89% | 0.886 | 75% | 0.754 | S | S | * | * | | | trans | 61.3 | 119.1 | 173.8 | -59.4 | -85.9 | 0 | 0 | 0 | 116.7 | | |
| 529 | S | 37.1 | Very low | 34 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | cis | 87.4 | 150.7 | 38.5 | 94.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 530 | S | 38.5 | Very low | 33.9 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | cis | -165.7 | 143.1 | 7.5 | 11.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 531 | S | 38.5 | Very low | 34 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | | | | 51.1 | 171.1 | 129.9 | 82.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 532 | F | 34.1 | Very low | 34 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | | | cis | -152 | 160.5 | -13.5 | -146 | -129.3 | 0 | 0 | 0 | 107.9 | | |
| 533 | E | 34.8 | Very low | 34.2 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | | 136.9 | 173.3 | 95 | -156.1 | 159.7 | -111.8 | 0 | 0 | 108.9 | | |
| 534 | D | 32.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | | | | -151.5 | -174.6 | -87 | -158.9 | -2.2 | 0 | 0 | 0 | 112.4 | | |
| 535 | Y | 32.2 | Very low | 34.4 | Very low | 201 Ų | 201 | 149.2 Ų | 149.2 | 79% | 0.788 | 76% | 0.762 | S | S | * | * | | | trans | 91.5 | 153 | 159.9 | -85.5 | -82.8 | 0 | 0 | 0 | 125.3 | | |
| 536 | N | 29.1 | Very low | 34.5 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -88 | -178.1 | -178.3 | -66.9 | -80.9 | 0 | 0 | 0 | 111.7 | | |
| 537 | V | 34 | Very low | 34.4 | Very low | 137 Ų | 137 | 144 Ų | 144 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | | | | -159.3 | -170.2 | 56.2 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 538 | S | 31.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | -118.2 | 179 | -149 | 58.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 539 | V | 32.1 | Very low | 34.3 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 89.2 | 103.3 | 157.8 | 179.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 540 | S | 29.4 | Very low | 34.3 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 44.9 | 116.5 | 132.5 | -52 | 0 | 0 | 0 | 0 | 124.1 | | |
| 541 | K | 36.2 | Very low | 34.1 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | | 179.9 | 150.5 | 102.2 | -99.8 | 170.3 | -178.5 | 173.9 | 0 | 115 | | |
| 542 | I | 33.7 | Very low | 33.7 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | 63 | 110.2 | 148.9 | -66.3 | 167.5 | 0 | 0 | 0 | 118.1 | | |
| 543 | R | 38 | Very low | 33.6 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | | | | 64.5 | 127.2 | 90.4 | -108.6 | -179.4 | -179.5 | 162.8 | 0.8 | 111.9 | E1271 | R543-E1271 IonicContact CZ-OE2 3.01Å; R543-E1271 IonicContact NH1-OE2 3.29Å; R543-E1271 PolarHBondContact NH1-OE2 2.66Å; R543-E1271 IonicContact NH2-OE2 3.27Å; R543-E1271 PolarHBondContact NH2-OE2 3.41Å |
| 544 | R | 36 | Very low | 33.5 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | cis | -142.2 | 176.5 | 25.9 | -78.3 | -179.4 | 168.1 | 136.4 | -1.8 | 114.5 | | |
| 545 | R | 37.2 | Very low | 33.7 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | | | trans | -85.8 | -174.6 | 175.5 | -44.8 | 170.7 | 174.6 | 161.6 | -4.9 | 110.2 | | |
| 546 | S | 35.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | cis | -171.6 | 146.8 | 16.9 | 40.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 547 | G | 33.2 | Very low | 33.8 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | 76.7 | 162.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 548 | S | 34.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | cis | -152.8 | 173 | -11.9 | -158.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 549 | S | 32.5 | Very low | 33.9 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | -74.2 | 139.6 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 550 | T | 37.2 | Very low | 33.8 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | 165.8 | 131.3 | 108.3 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 551 | S | 33 | Very low | 34.2 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | 45.8 | 123.8 | 146.5 | 62.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 552 | L | 30.5 | Very low | 34.1 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | 63.6 | 129.5 | 138.4 | -58 | 173.2 | 0 | 0 | 0 | 117.3 | | |
| 553 | T | 31.9 | Very low | 34.4 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | cis | -149.9 | 170.9 | 21.3 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 554 | S | 33.6 | Very low | 34 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -111.7 | 105.7 | 164.2 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 555 | S | 35.9 | Very low | 34 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | 38.8 | 98.1 | 147.2 | 57.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 556 | L | 30.2 | Very low | 33.7 | Very low | 170 Ų | 170 | 126.8 Ų | 126.8 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -9.2 | 146.8 | 134.7 | -69.1 | 152.5 | 0 | 0 | 0 | 118.6 | | |
| 557 | S | 32.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -160.2 | 140 | 145.6 | -79.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 558 | T | 37.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | 67.9 | 141.6 | 169.5 | 57.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 559 | D | 30.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -125.4 | 158.5 | -167.1 | -72.9 | -75.5 | 0 | 0 | 0 | 113.5 | | |
| 560 | S | 31 | Very low | 33.7 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | 42.9 | 122.4 | 146.5 | 66.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 561 | F | 37.1 | Very low | 34 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | | | trans | -149.5 | 146.7 | 131.5 | -100.8 | -72.8 | 0 | 0 | 0 | 111.5 | | |
| 562 | S | 34.9 | Very low | 34.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -133.6 | 153.5 | 162.5 | -53.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 563 | P | 39 | Very low | 34.7 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | | -149.4 | -173.9 | 86.1 | 39.6 | -20.8 | 0 | 0 | 0 | 115.3 | | |
| 564 | T | 29.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -75.3 | 150.2 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 565 | I | 37 | Very low | 34.9 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | trans | -147.6 | 164.8 | 149.1 | -103.3 | 162 | 0 | 0 | 0 | 108.4 | | |
| 566 | S | 30.8 | Very low | 35.4 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | | | trans | -121.5 | 178.9 | -164 | 63 | 0 | 0 | 0 | 0 | 115.5 | | |
| 567 | N | 33.5 | Very low | 35.5 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | trans | 101.3 | 98.7 | 158.3 | -54.3 | -8.6 | 0 | 0 | 0 | 119.8 | | |
| 568 | N | 32.1 | Very low | 35.6 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | | 64 | 133.7 | 122.6 | -59.6 | -2.9 | 0 | 0 | 0 | 125.1 | | |
| 569 | T | 35 | Very low | 35.4 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | 74.5 | 95.3 | 142.7 | 44 | 0 | 0 | 0 | 0 | 123.3 | | |
| 570 | S | 34.5 | Very low | 36 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | | 50 | 159.6 | 126.7 | -83.5 | 0 | 0 | 0 | 0 | 124.3 | | |
| 571 | P | 44.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | cis | -133.3 | -167.3 | -6.9 | 40.4 | -22.3 | 0 | 0 | 0 | 115.5 | | |
| 572 | N | 37.8 | Very low | 35.8 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | 94.2 | 133.4 | 157.9 | -71.5 | 12.9 | 0 | 0 | 0 | 122.7 | | |
| 573 | E | 40.1 | Very low | 35.7 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 111.8 | 154.6 | -67.2 | -179.4 | -163.3 | 0 | 0 | 124.1 | | |
| 574 | D | 35.2 | Very low | 35.3 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | | 79.4 | 82.4 | 128.8 | -74.4 | 31 | 0 | 0 | 0 | 124.9 | | |
| 575 | F | 34.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 75% | 0.746 | 76% | 0.763 | S | S | * | * | | | trans | 72.9 | 155.5 | 133.6 | -69.8 | -72.1 | 0 | 0 | 0 | 121.1 | | |
| 576 | P | 46.6 | Very low | 35.3 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | cis | -130.2 | 136.8 | -6.4 | 30.4 | -10.1 | 0 | 0 | 0 | 116.5 | | |
| 577 | R | 33.8 | Very low | 35.3 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | 65.6 | 141.7 | 144.4 | -56.4 | 167.5 | -171.2 | -141.2 | -1.6 | 118.2 | | |
| 578 | L | 33.9 | Very low | 35.1 | Very low | 158 Ų | 158 | 146 Ų | 146 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | cis | -169.2 | 153 | -9.5 | -106.2 | 171.7 | 0 | 0 | 0 | 104.1 | | |
| 579 | A | 33.6 | Very low | 35 | Very low | 80 Ų | 80 | 146.6 Ų | 146.6 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | | | cis | -158.9 | -170.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 580 | P | 43.6 | Very low | 34.7 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | cis | -130.5 | 171.7 | -7.5 | 42.1 | -27.6 | 0 | 0 | 0 | 114.5 | | |
| 581 | L | 31.8 | Very low | 34.3 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | | | trans | -160.9 | 170.7 | 147.4 | -112.4 | 170.1 | 0 | 0 | 0 | 111.5 | | |
| 582 | R | 30.5 | Very low | 33.6 | Very low | 227 Ų | 227 | 149.7 Ų | 149.7 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | | | trans | -105.8 | 165.9 | -179 | -72.5 | 176.3 | 168.2 | 141.9 | -6.7 | 109.2 | | |
| 583 | I | 34.1 | Very low | 33.1 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 67% | 0.672 | 77% | 0.765 | S | S | * | * | | | | -161.2 | 134.6 | 62.4 | -84.2 | 171.3 | 0 | 0 | 0 | 112.2 | L585 | I583-L585 HydrophobicContact CG2-CD1 4Š|
| 584 | H | 29 | Very low | 32.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | 152 | 78.1 | 155.7 | -97 | -81.4 | 0 | 0 | 0 | 106.2 | | |
| 585 | L | 31.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | | 52 | 132.1 | 72.4 | -80.6 | 130.7 | 0 | 0 | 0 | 112.8 | I583 | I583-L585 HydrophobicContact CG2-CD1 4Š|
| 586 | P | 35.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -71.8 | -165.2 | 3.3 | -16.7 | 33.8 | 0 | 0 | 0 | 114.3 | | |
| 587 | R | 31.1 | Very low | 31.6 | Very low | 224 Ų | 224 | 144.4 Ų | 144.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | | | cis | -158.4 | 163 | -29 | -110.2 | 168.7 | -177.7 | 172.6 | 0.7 | 104.9 | | |
| 588 | S | 29.6 | Very low | 31.6 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | cis | 72.2 | 133.3 | 49.9 | -41.9 | 0 | 0 | 0 | 0 | 115 | | |
| 589 | L | 29.3 | Very low | 31.5 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | cis | -158.6 | -168.6 | -6.7 | -122.1 | 174 | 0 | 0 | 0 | 111.8 | | |
| 590 | T | 28 | Very low | 31.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | trans | -64.1 | 162.5 | -179.9 | 46.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 591 | T | 27.2 | Very low | 30.7 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -15.2 | 121.9 | 157.8 | 51.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 592 | Q | 29.6 | Very low | 30.5 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | | -170.6 | -173.8 | 118.8 | -103.3 | -167.2 | 37.5 | 0 | 0 | 112.1 | | |
| 593 | L | 28.2 | Very low | 30.7 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | -72.5 | 166 | -163.8 | -63.5 | 86.9 | 0 | 0 | 0 | 115.3 | | |
| 594 | S | 31.8 | Very low | 30.5 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 88% | 0.881 | 75% | 0.747 | S | S | * | * | | | trans | 65.6 | 141.5 | 162.9 | 63.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 595 | G | 29.7 | Very low | 30.6 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | | | cis | -176.3 | 163.6 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 596 | S | 32.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | 40.7 | 128.3 | 154.4 | 52.7 | 0 | 0 | 0 | 0 | 122 | | |
| 597 | D | 30.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | 74.9 | 152.7 | 144.2 | -55.2 | -19.2 | 0 | 0 | 0 | 120.9 | | |
| 598 | S | 32.5 | Very low | 30.4 | Very low | 92 Ų | 92 | 128.7 Ų | 128.7 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | cis | -167.1 | 167.1 | -33.4 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 599 | V | 31.5 | Very low | 30.6 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | 70.1 | 153.5 | 154 | 171 | 0 | 0 | 0 | 0 | 118.9 | | |
| 600 | C | 32.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | | | trans | 52.7 | 106.2 | 174 | -72.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 601 | S | 27.8 | Very low | 31.4 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | 81.6 | 131.8 | 29.5 | 94.7 | 0 | 0 | 0 | 0 | 116.8 | | |
| 602 | Y | 28.4 | Very low | 31.7 | Very low | 201 Ų | 201 | 130.1 Ų | 130.1 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | | | trans | 83.1 | 149.4 | 148.2 | -98.4 | -126.8 | 0 | 0 | 0 | 120.6 | | |
| 603 | T | 34.7 | Very low | 32 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | | | trans | 75 | 135 | 150 | 48 | 0 | 0 | 0 | 0 | 121.5 | | |
| 604 | D | 31 | Very low | 32.2 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | cis | 177.1 | 152.2 | -26.4 | -112.8 | 9.6 | 0 | 0 | 0 | 109.2 | | |
| 605 | N | 29.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | | | trans | 62.8 | 160.6 | 135.9 | -63.6 | -17.1 | 0 | 0 | 0 | 121.1 | | |
| 606 | H | 29.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | | | cis | -156.3 | 173.7 | -8.5 | -120.2 | -21.6 | 0 | 0 | 0 | 112.2 | | |
| 607 | H | 27.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 74% | 0.741 | 69% | 0.694 | S | S | * | * | | | trans | 56.9 | 122.6 | 152 | -88.2 | -108.4 | 0 | 0 | 0 | 120.2 | | |
| 608 | E | 36.2 | Very low | 33.3 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | | | | -172.9 | 126.8 | 93.3 | -97.1 | -161.8 | 141.3 | 0 | 0 | 113.4 | | |
| 609 | S | 34.4 | Very low | 33.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | | | trans | 65 | 165 | 153.9 | 87.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 610 | L | 35.8 | Very low | 33.5 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | | | cis | -151.5 | 138.3 | -8.4 | -160.4 | 69.6 | 0 | 0 | 0 | 110 | | |
| 611 | I | 37.7 | Very low | 33.4 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | | | trans | 46.4 | 112.6 | 153.8 | -69.6 | 167.5 | 0 | 0 | 0 | 118.7 | | |
| 612 | D | 33.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | | | cis | -146.5 | -112 | -15.8 | -153.5 | -122.1 | 0 | 0 | 0 | 111.2 | | |
| 613 | Y | 35.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 70% | 0.698 | 68% | 0.683 | S | S | * | * | | | cis | -156.5 | -169.8 | -5.2 | -159 | 25.8 | 0 | 0 | 0 | 112.5 | | |
| 614 | H | 34.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 55% | 0.546 | 69% | 0.686 | S | S | . | * | | | trans | -48.1 | 138.9 | -179.6 | -68.7 | -45.7 | 0 | 0 | 0 | 114.3 | | |
| 615 | H | 33.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 63% | 0.634 | 69% | 0.692 | S | S | * | * | | | cis | 162.3 | 156.5 | 2.4 | -104.7 | 4.4 | 0 | 0 | 0 | 104.1 | | |
| 616 | H | 34.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | | | cis | -157.6 | -169.2 | -6.8 | -131.6 | -21.9 | 0 | 0 | 0 | 108.8 | | |
| 617 | P | 43.7 | Very low | 34 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 56% | 0.558 | 70% | 0.7 | S | S | * | * | | | | -136.8 | 169.8 | -114.6 | 48.8 | -32.9 | 0 | 0 | 0 | 119.1 | | |
| 618 | T | 35.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | trans | 52 | 155.9 | 132.2 | 63.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 619 | Y | 35 | Very low | 34 | Very low | 169 Ų | 169 | 124.7 Ų | 124.7 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | | | cis | -175.4 | 157.5 | -4.1 | -112.2 | -175.1 | 0 | 0 | 0 | 113 | | |
| 620 | R | 31.8 | Very low | 33.8 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | | | trans | 54 | 160.8 | 135.3 | -62.1 | -174.8 | -174 | -152.4 | 9.6 | 121.4 | | |
| 621 | L | 31.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 70% | 0.696 | 70% | 0.697 | S | S | * | * | | | cis | -157.9 | 153.6 | -17.5 | -112.3 | 175.2 | 0 | 0 | 0 | 113.2 | | |
| 622 | S | 31.3 | Very low | 33.3 | Very low | 98 Ų | 98 | 122 Ų | 122 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | | | trans | 5.2 | 140.6 | 153.3 | 62.2 | 0 | 0 | 0 | 0 | 125 | | |
| 623 | S | 32 | Very low | 33.2 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | | -161.8 | 158.8 | 116.7 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 624 | S | 32.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -44.8 | 166.7 | 173.8 | 35.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 625 | S | 32.1 | Very low | 32.7 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | cis | -172.2 | 164.8 | -11.3 | 51.7 | 0 | 0 | 0 | 0 | 114 | | |
| 626 | S | 32.5 | Very low | 32.6 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | trans | 57.8 | 110.9 | 141.9 | 60.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 627 | S | 32.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | | 70.3 | 124.2 | 124.9 | 65.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 628 | S | 32.6 | Very low | 31.9 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | 69.7 | 108.9 | 131.4 | 63.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 629 | S | 31.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 67.9 | 131 | 131.1 | 57.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 630 | T | 30.4 | Very low | 31.7 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 84.4 | 124.3 | 143.4 | 37.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 631 | S | 30.2 | Very low | 32 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | 83.3 | 143.3 | 142.4 | 40.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 632 | S | 33 | Very low | 32 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | 69.5 | 92.2 | 151 | 41.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 633 | T | 31.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | | 51.3 | 122.6 | 121.3 | 52 | 0 | 0 | 0 | 0 | 123.2 | | |
| 634 | S | 29.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | 72.2 | 105.9 | 133.7 | -59.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 635 | C | 30.2 | Very low | 32.2 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 96% | 0.959 | 74% | 0.744 | S | S | * | * | | | | -156.3 | -179 | 119.4 | -107.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 636 | R | 31.2 | Very low | 32.1 | Very low | 222 Ų | 222 | 128.4 Ų | 128.4 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | trans | -121.1 | 175.6 | -154.9 | -161.2 | -178.1 | -175.4 | -165.7 | 4.1 | 113.1 | | |
| 637 | T | 32 | Very low | 32.2 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | 80.1 | 144.2 | 166.8 | 71.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 638 | T | 31.8 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | | | cis | -161.9 | 168.2 | -0.2 | 0.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 639 | V | 33.7 | Very low | 32.4 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | 70.9 | 145.4 | 150.6 | 158.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 640 | S | 32.4 | Very low | 32.4 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | | | cis | -173.1 | 131.5 | -16.7 | 173.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 641 | T | 37.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | trans | 51.2 | 175.8 | 151.6 | 71.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 642 | K | 33 | Very low | 32.7 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | cis | -162.1 | 151.8 | 5.8 | -141.6 | 159.3 | -175.3 | 175.4 | 0 | 111.5 | | |
| 643 | H | 33.2 | Very low | 32.7 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | 26.2 | 164 | 145.5 | -74.4 | -41.3 | 0 | 0 | 0 | 124.1 | | |
| 644 | R | 31.8 | Very low | 32.7 | Very low | 207 Ų | 207 | 138.1 Ų | 138.1 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | cis | -161.9 | 143.6 | 6.2 | -128.2 | 178.7 | 172.9 | 157.5 | -1.7 | 112.8 | | |
| 645 | N | 33.2 | Very low | 33 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | | 43.8 | 126.9 | 127.4 | -71.3 | 58 | 0 | 0 | 0 | 126.5 | | |
| 646 | D | 31.6 | Very low | 33 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 67% | 0.674 | 71% | 0.708 | S | S | * | * | | | | 96.5 | 140 | 116.4 | -63.4 | -8.2 | 0 | 0 | 0 | 126.4 | | |
| 647 | I | 34.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | | | | 111.7 | 124 | 125 | -101.3 | 166.1 | 0 | 0 | 0 | 123.2 | | |
| 648 | I | 34.1 | Very low | 33.1 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 72% | 0.723 | 68% | 0.679 | S | S | * | * | | | trans | 72.1 | 148.2 | 147.7 | -73.1 | 178.5 | 0 | 0 | 0 | 120.7 | | |
| 649 | I | 34.3 | Very low | 33.1 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | | | cis | -164.6 | 157.3 | -26.1 | -104.7 | 168.4 | 0 | 0 | 0 | 108.8 | | |
| 650 | G | 31 | Very low | 33.1 | Very low | 67 Ų | 67 | 127.1 Ų | 127.1 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | | | trans | 168.7 | 148.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 651 | Q | 35.5 | Very low | 33 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 83% | 0.827 | 68% | 0.677 | S | S | * | * | | | trans | -148.2 | 167.4 | -170.5 | -73.3 | -171.1 | -22.9 | 0 | 0 | 116.8 | | |
| 652 | N | 32.8 | Very low | 32.7 | Very low | 132 Ų | 132 | 133 Ų | 133 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | | | trans | 97.5 | 141.3 | 158.7 | -56.9 | -47.8 | 0 | 0 | 0 | 117.6 | | |
| 653 | H | 32.2 | Very low | 32.7 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 69% | 0.69 | 69% | 0.686 | S | S | * | * | | | cis | -155.2 | 174.3 | 6.6 | -144.4 | -153.2 | 0 | 0 | 0 | 115.1 | | |
| 654 | M | 31.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 52% | 0.522 | 69% | 0.69 | S | S | . | * | | | trans | 79.4 | 133.3 | 154.5 | -79.4 | -63.3 | 107.9 | 0 | 0 | 124.3 | R473 | R473-M654 PolarHBondContact NH1-O 2.84Š|
| 655 | L | 34.7 | Very low | 32.5 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 58% | 0.581 | 68% | 0.68 | S | S | * | * | | | trans | 61.1 | 148.9 | 151.5 | -60.5 | 169.7 | 0 | 0 | 0 | 120.5 | H472 R473 | H472-L655 PolarHBondContact NE2-O 3.03Å; R473-L655 WeakPolarHBondContact CD-O 3.35Å; R473-L655 PolarHBondContact NE-O 3.25Å; R473-L655 PolarHBondContact NH1-O 3.01Å; R473-L655 VanDerWaalsContact NH1-O 3.14Å |
| 656 | S | 31.9 | Very low | 32.3 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 59% | 0.587 | 69% | 0.689 | S | S | * | * | | | cis | -159.5 | 179.7 | -20.3 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | R471 | R471-S656 PolarHBondContact NH1-O 2.91Š|
| 657 | H | 32.5 | Very low | 32.2 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 38% | 0.384 | 70% | 0.695 | S | S | . | * | | | trans | -102.8 | 148.4 | -155.3 | -105 | -81.4 | 0 | 0 | 0 | 118.1 | K470 R471 | K470-H657 WeakPolarHBondContact CE-CE1 3.42Å; K470-H657 PolarHBondContact NZ-CE1 3.05Å; K470-H657 PolarHBondContact NZ-NE2 3.21Å; K470-H657 VanDerWaalsContact NZ-NE2 3.11Å; R471-H657 VanDerWaalsContact CD-CE1 3.47Å; R471-H657 WeakPolarHBondContact CD-CE1 3.19Å; R471-H657 PolarHBondContact NE-CE1 2.98Å; R471-H657 VanDerWaalsContact NE-CE1 3.25Å; R471-H657 PolarHBondContact NE-ND1 2.94Å |
| 658 | N | 31.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | | | trans | 70.7 | 161.5 | 147 | -71.9 | 6.9 | 0 | 0 | 0 | 118.2 | | |
| 659 | T | 32.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 73% | 0.73 | 69% | 0.688 | S | S | * | * | | | cis | -166.1 | 159.8 | -8.1 | 20.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 660 | T | 32.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | | | cis | -165.3 | -177.3 | -9.6 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 661 | N | 31.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | | | trans | 59.1 | 108.7 | 162.3 | -66.6 | 8.6 | 0 | 0 | 0 | 119.5 | | |
| 662 | Q | 30.5 | Very low | 31.1 | Very low | 200 Ų | 200 | 137.7 Ų | 137.7 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | | | | -145.7 | 148.6 | 112.6 | -111.8 | -180 | 14.6 | 0 | 0 | 110 | | |
| 663 | I | 33.5 | Very low | 31.3 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | | | trans | -128.8 | 151.2 | -176 | -75 | 176.3 | 0 | 0 | 0 | 108.3 | | |
| 664 | H | 31.5 | Very low | 31.6 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | | | trans | -10.3 | 155.2 | 160.2 | -79.9 | -105.8 | 0 | 0 | 0 | 118.6 | | |
| 665 | S | 29.8 | Very low | 32.2 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 58% | 0.58 | 71% | 0.711 | S | S | * | * | | | cis | 157.3 | 127.7 | -16 | 57 | 0 | 0 | 0 | 0 | 106.4 | | |
| 666 | N | 27.7 | Very low | 32.1 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | 62.7 | 162.4 | 166 | -65.5 | -17.5 | 0 | 0 | 0 | 119.7 | | |
| 667 | Y | 29.1 | Very low | 32.3 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | | | trans | 66.3 | 131.5 | -173.4 | -61.4 | -95.2 | 0 | 0 | 0 | 113.6 | | |
| 668 | R | 28.2 | Very low | 32.8 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | | | cis | 74.9 | 85.9 | 41 | -168.1 | -133 | 161.8 | 142.5 | -7.5 | 112 | | |
| 669 | E | 30 | Very low | 33.8 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 55% | 0.547 | 73% | 0.729 | S | S | . | * | | | | -173.6 | 161.6 | 102.1 | -93.1 | -157.4 | -179.4 | 0 | 0 | 114.9 | | |
| 670 | Q | 28.8 | Very low | 35.2 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | trans | 27.2 | 125.3 | 153.2 | -57 | -177.5 | 51.7 | 0 | 0 | 121.5 | | |
| 671 | I | 34.3 | Very low | 37.5 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | | | trans | -130.3 | 128.6 | 143.6 | -67.9 | -177.1 | 0 | 0 | 0 | 108.5 | | |
| 672 | H | 26.5 | Very low | 39.3 | Very low | 172 Ų | 172 | 138 Ų | 138 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | | | trans | -72.9 | 138.1 | 171 | -119.2 | -109.1 | 0 | 0 | 0 | 110.6 | | |
| 673 | L | 36.3 | Very low | 41.5 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | | | trans | -167.5 | 146.3 | 154.3 | -107.5 | 160.2 | 0 | 0 | 0 | 110.9 | | |
| 674 | V | 38.3 | Very low | 43.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | | | trans | -95.7 | 145.2 | -177.9 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 675 | P | 43.5 | Very low | 44.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | | | trans | -126.6 | 110.3 | 153.3 | 33.1 | -18.8 | 0 | 0 | 0 | 113.2 | | |
| 676 | E | 34 | Very low | 45.9 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | | | trans | 22.6 | 125.2 | 137 | -58.9 | 178.4 | 171.3 | 0 | 0 | 120.1 | C678 | E676-C678 PolarHBondContact O-N 3.33Å; E676-C678 VanDerWaalsContact O-N 3.12Å |
| 677 | M | 36.5 | Very low | 47.7 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | | | trans | -77.6 | 90.3 | 168.9 | -177.1 | -175.5 | 67.9 | 0 | 0 | 110.7 | I679 K692 | M677-I679 HydrophobicContact CE-CD1 4.17Å; M677-I679 HydrophobicContact CE-CG1 4.32Å; M677-I679 PolarHBondContact O-N 3Å; M677-I679 VanDerWaalsContact O-N 3.15Å; M677-K692 HydrophobicContact SD-CD 4.46Å; M677-K692 VanDerWaalsContact SD-CE 3.54Å |
| 678 | C | 42.5 | Very low | 50.2 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | | | trans | -66 | 110.4 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | E676 | E676-C678 PolarHBondContact O-N 3.33Å; E676-C678 VanDerWaalsContact O-N 3.12Å |
| 679 | I | 52.4 | Low | 52.4 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 52% | 0.518 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.9 | 161 | -58.4 | 175.6 | 0 | 0 | 0 | 106.8 | M677 | M677-I679 HydrophobicContact CE-CD1 4.17Å; M677-I679 HydrophobicContact CE-CG1 4.32Å; M677-I679 PolarHBondContact O-N 3Å; M677-I679 VanDerWaalsContact O-N 3.15Å |
| 680 | T | 61.9 | Low | 54.8 | Low | 71 Ų | 71 | 114.5 Ų | 114.5 | 44% | 0.436 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 107.6 | 171.6 | 55.4 | 0 | 0 | 0 | 0 | 110.3 | I682 I691 | T680-I682 PolarHBondContact O-N 2.99Å; T680-I691 PolarHBondContact N-O 2.86Å; T680-I691 PolarHBondContact O-N 2.57Å |
| 681 | D | 79.7 | Confident | 56.8 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 106.7 | 171.3 | -80.3 | -6.7 | 0 | 0 | 0 | 109.8 | T688 S690 | D681-T688 HydrophobicContact CB-CG2 3.58Å; D681-S690 WeakPolarHBondContact OD1-CA 3.41Å; D681-S690 WeakPolarHBondContact OD1-CB 3.23Å; D681-S690 PolarHBondContact OD1-OG 3.4Å |
| 682 | I | 70.5 | Confident | 58.4 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 45% | 0.446 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.1 | 177 | -56.1 | -177.8 | 0 | 0 | 0 | 108.6 | T680 V684 I689 I691 | T680-I682 PolarHBondContact O-N 2.99Å; I682-V684 HydrophobicContact CG2-CG2 4.25Å; I682-I689 PolarHBondContact N-O 2.96Å; I682-I689 PolarHBondContact O-N 2.71Å; I682-I691 HydrophobicContact CD1-CD1 3.9Å |
| 683 | T | 77.1 | Confident | 59.7 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.2 | 173 | -44.6 | 0 | 0 | 0 | 0 | 111.2 | L687 T688 | T683-L687 WeakPolarHBondContact CA-O 3.31Å; T683-T688 PolarHBondContact OG1-OG1 2.86Å |
| 684 | V | 67.4 | Low | 59.9 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.9 | 128.2 | 168 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | I682 G686 L687 | I682-V684 HydrophobicContact CG2-CG2 4.25Å; V684-G686 VanDerWaalsContact C-N 3.26Å; V684-G686 PolarHBondContact O-N 3.02Å; V684-L687 PolarHBondContact N-O 2.85Å; V684-L687 PolarHBondContact O-N 3.1Å |
| 685 | N | 52.4 | Low | 60.2 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 90% | 0.898 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.1 | 43.4 | -179.7 | -59.5 | 1.9 | 0 | 0 | 0 | 113.7 | L687 | N685-L687 VanDerWaalsContact C-N 3.28Å; N685-L687 PolarHBondContact O-N 3.48Å |
| 686 | G | 67.6 | Low | 60.2 | Low | 71 Ų | 71 | 103.4 Ų | 103.4 | 73% | 0.732 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.5 | -9.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V684 | V684-G686 VanDerWaalsContact C-N 3.26Å; V684-G686 PolarHBondContact O-N 3.02Å |
| 687 | L | 63.5 | Low | 60.4 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 114 | 176.6 | -165.6 | 153 | 0 | 0 | 0 | 110.1 | T683 V684 N685 I689 | T683-L687 WeakPolarHBondContact CA-O 3.31Å; V684-L687 PolarHBondContact N-O 2.85Å; V684-L687 PolarHBondContact O-N 3.1Å; N685-L687 VanDerWaalsContact C-N 3.28Å; N685-L687 PolarHBondContact O-N 3.48Å; L687-I689 HydrophobicContact CD2-CD1 4.26Å; L687-I689 HydrophobicContact CD2-CG1 3.62Å |
| 688 | T | 82.9 | Confident | 60.4 | Low | 66 Ų | 66 | 99.6 Ų | 99.6 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.8 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | D681 T683 | D681-T688 HydrophobicContact CB-CG2 3.58Å; T683-T688 PolarHBondContact OG1-OG1 2.86Å |
| 689 | I | 74.8 | Confident | 59.9 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 104.7 | 170.7 | -55.4 | 179.2 | 0 | 0 | 0 | 108.1 | I682 L687 I691 | I682-I689 PolarHBondContact N-O 2.96Å; I682-I689 PolarHBondContact O-N 2.71Å; L687-I689 HydrophobicContact CD2-CD1 4.26Å; L687-I689 HydrophobicContact CD2-CG1 3.62Å; I689-I691 HydrophobicContact CG2-CG1 4.14Å; I689-I691 PolarHBondContact O-N 2.84Å |
| 690 | S | 79.5 | Confident | 59 | Low | 77 Ų | 77 | 107.2 Ų | 107.2 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.7 | 106.1 | 171 | -52 | 0 | 0 | 0 | 0 | 109.8 | D681 | D681-S690 WeakPolarHBondContact OD1-CA 3.41Å; D681-S690 WeakPolarHBondContact OD1-CB 3.23Å; D681-S690 PolarHBondContact OD1-OG 3.4Å |
| 691 | I | 71 | Confident | 57.8 | Low | 72 Ų | 72 | 114 Ų | 114 | 37% | 0.369 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.9 | 174.4 | -56.3 | -178.7 | 0 | 0 | 0 | 108.8 | T680 I682 I689 E693 | T680-I691 PolarHBondContact N-O 2.86Å; T680-I691 PolarHBondContact O-N 2.57Å; I682-I691 HydrophobicContact CD1-CD1 3.9Å; I689-I691 HydrophobicContact CG2-CG1 4.14Å; I689-I691 PolarHBondContact O-N 2.84Å; I691-E693 HydrophobicContact CG2-CG 4.15Å |
| 692 | K | 67.5 | Low | 55.5 | Low | 130 Ų | 130 | 111.9 Ų | 111.9 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.2 | 173 | -178.6 | 173.3 | 178.4 | 168.7 | 0 | 109.6 | M677 C694 | M677-K692 HydrophobicContact SD-CD 4.46Å; M677-K692 VanDerWaalsContact SD-CE 3.54Å; K692-C694 PolarHBondContact O-N 3.18Å |
| 693 | E | 54.9 | Low | 53.8 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | | | trans | -80.5 | 99.8 | 176.4 | -65.5 | -163.4 | 148.3 | 0 | 0 | 111.1 | I691 S695 | I691-E693 HydrophobicContact CG2-CG 4.15Å; E693-S695 PolarHBondContact O-N 2.85Å |
| 694 | C | 39.3 | Very low | 52 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | | | trans | -79.3 | 93.3 | 172.6 | -68.7 | 0 | 0 | 0 | 0 | 110.8 | K692 | K692-C694 PolarHBondContact O-N 3.18Š|
| 695 | S | 44.2 | Very low | 50.4 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | | | trans | -82.1 | 116.7 | 172.2 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | E693 | E693-S695 PolarHBondContact O-N 2.85Š|
| 696 | G | 44.3 | Very low | 49.5 | Very low | 69 Ų | 69 | 116.3 Ų | 116.3 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | | | trans | -142.2 | 124.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 697 | P | 38.1 | Very low | 48.1 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | | | trans | -93.4 | 124.1 | -179.8 | 33.9 | -30.9 | 0 | 0 | 0 | 112.1 | | |
| 698 | G | 36.4 | Very low | 46.5 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 145.4 | 141 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F700 | G698-F700 PolarHBondContact O-N 3.06Š|
| 699 | N | 32.4 | Very low | 44.1 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | -79.8 | 114.1 | 177.3 | -58.2 | -43.4 | 0 | 0 | 0 | 110.2 | | |
| 700 | F | 34.3 | Very low | 42 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | | | trans | -161.4 | 120.4 | 148.9 | -131.5 | -93.7 | 0 | 0 | 0 | 112 | G698 | G698-F700 PolarHBondContact O-N 3.06Š|
| 701 | F | 36.2 | Very low | 39.7 | Very low | 213 Ų | 213 | 130.1 Ų | 130.1 | 93% | 0.934 | 74% | 0.742 | S | S | * | * | | | trans | -151.7 | 73 | 162 | -104.5 | -67 | 0 | 0 | 0 | 109.5 | | |
| 702 | G | 31 | Very low | 37.8 | Very low | 54 Ų | 54 | 133 Ų | 133 | 56% | 0.557 | 76% | 0.759 | S | S | * | * | | | trans | -88.7 | 133.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 703 | I | 35.7 | Very low | 36.1 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | -97 | 134.6 | -179.6 | -57.4 | 168.9 | 0 | 0 | 0 | 109.3 | | |
| 704 | P | 38.6 | Very low | 35 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | trans | -129.2 | 125.1 | 144.2 | 32 | -18.5 | 0 | 0 | 0 | 113.1 | | |
| 705 | T | 34.4 | Very low | 34.6 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | 17.6 | 117.7 | 146.3 | 52.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 706 | S | 32.7 | Very low | 34.1 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -104.3 | 147.1 | 160 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 707 | Q | 37.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | trans | -129.5 | 150.5 | 166.9 | -95.5 | -168.7 | -11.4 | 0 | 0 | 110.1 | | |
| 708 | L | 30.7 | Very low | 33 | Very low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | 64.3 | 143.7 | 177.8 | -81.1 | 77.2 | 0 | 0 | 0 | 117.6 | | |
| 709 | V | 32.2 | Very low | 32.9 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | cis | -164.3 | 147.6 | -30.8 | 98.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 710 | Q | 30 | Very low | 32.7 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | 57.7 | 155 | 163.9 | -70.2 | 168.5 | -62.9 | 0 | 0 | 118.3 | | |
| 711 | H | 31.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 61% | 0.611 | 75% | 0.749 | S | S | * | * | | | cis | -142.4 | 144.1 | -8.5 | -128.5 | -52.7 | 0 | 0 | 0 | 110.8 | | |
| 712 | N | 32.7 | Very low | 32.3 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | | | trans | 14.8 | 156.5 | 145.3 | -62 | 11.8 | 0 | 0 | 0 | 121.5 | | |
| 713 | C | 30.8 | Very low | 32.4 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | | | cis | -152 | 156.4 | 13.5 | -145.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 714 | Y | 32.3 | Very low | 32.5 | Very low | 226 Ų | 226 | 140.7 Ų | 140.7 | 89% | 0.886 | 73% | 0.733 | S | S | * | * | | | | 169.2 | 108.6 | 117.5 | -104.4 | -73.2 | 0 | 0 | 0 | 110.5 | | |
| 715 | K | 30.8 | Very low | 32.5 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 73% | 0.732 | S | S | * | * | | | trans | -157.7 | 104.8 | 152.2 | -147.9 | 171.2 | -171.8 | 176.8 | 0 | 113.4 | | |
| 716 | N | 33.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | 38.3 | 108.2 | 150.4 | -58.2 | 54.4 | 0 | 0 | 0 | 118.1 | | |
| 717 | E | 27.5 | Very low | 32.7 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | | -72.1 | 151.9 | 122.1 | -64.5 | -170.3 | 131.1 | 0 | 0 | 109.7 | | |
| 718 | Y | 32.7 | Very low | 32.4 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | | 174.1 | 114.8 | 120.7 | -109.1 | -108.7 | 0 | 0 | 0 | 108.3 | | |
| 719 | I | 32.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | | | | 48.8 | 132.9 | 113.5 | -64.4 | -165.5 | 0 | 0 | 0 | 117.8 | | |
| 720 | T | 29.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | | | cis | -166 | -164.4 | -13.2 | 36.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 721 | N | 31.5 | Very low | 32.4 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | 88.3 | 136.9 | 151.5 | -68.7 | 23.1 | 0 | 0 | 0 | 117.9 | | |
| 722 | S | 30.6 | Very low | 32.5 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 54% | 0.538 | 74% | 0.737 | S | S | . | * | | | cis | -171.3 | -179.7 | -17.7 | 39.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 723 | D | 33.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | trans | 88.4 | 144.4 | 149.8 | -47.7 | -42.6 | 0 | 0 | 0 | 120.1 | | |
| 724 | D | 37.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | | | trans | 64.4 | 126.1 | 164.6 | -43.8 | -19.8 | 0 | 0 | 0 | 119.1 | | |
| 725 | D | 38.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | | | cis | -162.1 | 164.3 | -5.2 | -105 | -27.6 | 0 | 0 | 0 | 112.5 | | |
| 726 | D | 39.2 | Very low | 32.9 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | 58.6 | 117.9 | 156.5 | -62.4 | -26.9 | 0 | 0 | 0 | 123.6 | | |
| 727 | D | 31.2 | Very low | 32.8 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | | | trans | -71.2 | 152.5 | 147.8 | -66.7 | -77.1 | 0 | 0 | 0 | 111 | | |
| 728 | D | 32.4 | Very low | 33 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | | -168.4 | 161.6 | 127.8 | -127.3 | -23.2 | 0 | 0 | 0 | 118.5 | | |
| 729 | F | 33.2 | Very low | 32.6 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | | | trans | 46.5 | 92 | 161.4 | -77.9 | -73.3 | 0 | 0 | 0 | 123.5 | | |
| 730 | T | 29 | Very low | 32.7 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | | | | -5.7 | 159.8 | 129.4 | 63 | 0 | 0 | 0 | 0 | 122.6 | | |
| 731 | T | 31.4 | Very low | 33 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | trans | 123.7 | 165.5 | 146.3 | 62.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 732 | V | 33.5 | Very low | 33.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | trans | 82.9 | 70.6 | -170.1 | -172.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 733 | T | 35 | Very low | 33.5 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | | | | 75.1 | 103.8 | 95.1 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 734 | T | 32.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | | 74 | 145 | 75.5 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 735 | V | 31.5 | Very low | 33.5 | Very low | 114 Ų | 114 | 131 Ų | 131 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | cis | -163.3 | -166.7 | -1.7 | 122.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 736 | I | 36.3 | Very low | 33.4 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | 90.6 | 103.4 | 171.2 | -48.1 | -175.5 | 0 | 0 | 0 | 112.7 | | |
| 737 | D | 30.9 | Very low | 33.2 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 66% | 0.658 | 73% | 0.733 | S | S | * | * | | | cis | 76.3 | 141.6 | 46.5 | -69.5 | -67.7 | 0 | 0 | 0 | 115.3 | | |
| 738 | S | 30.8 | Very low | 33.4 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | | | cis | -160.7 | 160.2 | -22.1 | -119 | 0 | 0 | 0 | 0 | 110.3 | | |
| 739 | C | 26.1 | Very low | 33.4 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 78% | 0.784 | 72% | 0.719 | S | S | * | * | | | trans | 41.1 | 106.2 | 151.1 | -65 | 0 | 0 | 0 | 0 | 120.4 | | |
| 740 | K | 34.1 | Very low | 33.5 | Very low | 213 Ų | 213 | 123.1 Ų | 123.1 | 93% | 0.926 | 72% | 0.721 | S | S | * | * | | | trans | -149.8 | 98.5 | 130.4 | -119.6 | 167.9 | -172.6 | 173.6 | 0 | 114 | | |
| 741 | M | 34.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | | | trans | -55.5 | 158.6 | 151 | -79.4 | -69.5 | 171.7 | 0 | 0 | 109.7 | | |
| 742 | P | 42.3 | Very low | 33.8 | Very low | 106 Ų | 106 | 122 Ų | 122 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | | | cis | -154.6 | -178.3 | 47.7 | 40.3 | -17.1 | 0 | 0 | 0 | 120 | | |
| 743 | S | 30.6 | Very low | 33.9 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 61% | 0.608 | 71% | 0.712 | S | S | * | * | | | trans | 82.9 | 137.8 | 135.2 | 58.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 744 | T | 34.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | 69.3 | 137.5 | 148.1 | 50.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 745 | T | 35.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | cis | -167.2 | 155.7 | 2.1 | 13.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 746 | V | 36.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | | | trans | 65.3 | 135.1 | 138.8 | 169.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 747 | T | 35.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | | | cis | -166.2 | 169.6 | -26.2 | 42.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 748 | T | 35.7 | Very low | 34.4 | Very low | 110 Ų | 110 | 120.2 Ų | 120.2 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | | | trans | 47.2 | 145.2 | 136.6 | 57.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 749 | T | 31.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 63% | 0.632 | 73% | 0.727 | S | S | * | * | | | cis | 174.6 | 159.3 | -20.8 | 33.1 | 0 | 0 | 0 | 0 | 104.7 | | |
| 750 | N | 36.2 | Very low | 34.8 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | | | trans | 66.6 | 162.2 | 162.1 | -56.8 | -19 | 0 | 0 | 0 | 114.7 | | |
| 751 | S | 30.6 | Very low | 34.7 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | | | cis | -169.1 | 167.1 | -33.5 | 56.4 | 0 | 0 | 0 | 0 | 105.9 | | |
| 752 | T | 35.9 | Very low | 34.6 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | | | trans | 60.7 | 160.9 | 161.7 | 43.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 753 | S | 34.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | cis | -161.3 | 154.3 | -29 | 46.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 754 | T | 33.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | | | trans | 38.2 | 116.3 | 148.1 | 56.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 755 | I | 33.1 | Very low | 35 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | | | | 56.5 | 99.5 | 128.8 | -53 | 164.8 | 0 | 0 | 0 | 116 | T757 | I755-T757 HydrophobicContact CG2-CG2 4.12Å; I755-T757 PolarHBondContact O-N 3.04Å |
| 756 | T | 32.5 | Very low | 35.4 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | | | trans | -69.3 | 111.7 | 148 | 36 | 0 | 0 | 0 | 0 | 109.7 | | |
| 757 | T | 33.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | | | trans | -81.5 | 138.9 | 151 | 46.9 | 0 | 0 | 0 | 0 | 108.7 | I755 | I755-T757 HydrophobicContact CG2-CG2 4.12Å; I755-T757 PolarHBondContact O-N 3.04Å |
| 758 | P | 43.5 | Very low | 35.3 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | | | trans | -127.5 | 135 | 134.7 | 4.3 | 16.9 | 0 | 0 | 0 | 111.7 | | |
| 759 | Y | 35.1 | Very low | 35.3 | Very low | 207 Ų | 207 | 125.2 Ų | 125.2 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | | | trans | 37.2 | 98.2 | 146.2 | -61.7 | -82.1 | 0 | 0 | 0 | 117.9 | | |
| 760 | T | 31.2 | Very low | 35.5 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 61% | 0.613 | 74% | 0.739 | S | S | * | * | | | | 57.5 | 136 | 84.6 | 68.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 761 | M | 32.4 | Very low | 35.3 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 82% | 0.823 | 74% | 0.737 | S | S | * | * | | | | -154.4 | 141.4 | 108.5 | -107.4 | -60.9 | 117.1 | 0 | 0 | 110.9 | | |
| 762 | T | 31.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 167.5 | 178.9 | 43.5 | 0 | 0 | 0 | 0 | 112 | | |
| 763 | T | 39.8 | Very low | 35.5 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -46.1 | 158 | 163.3 | 43.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 764 | P | 40.2 | Very low | 36 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 147 | -157.3 | 30.4 | -37.9 | 0 | 0 | 0 | 116.3 | | |
| 765 | T | 37.4 | Very low | 35.9 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | 24 | 148.2 | 140.2 | 65.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 766 | P | 43.2 | Very low | 35.8 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | cis | -140.7 | 149.9 | -43.1 | 36.8 | -19.6 | 0 | 0 | 0 | 114.5 | | |
| 767 | I | 35 | Very low | 35.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | 70.3 | 133 | 148 | -61.9 | 166.1 | 0 | 0 | 0 | 119.7 | | |
| 768 | T | 35.3 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | 74.6 | 120 | 163 | 42.2 | 0 | 0 | 0 | 0 | 123.6 | | |
| 769 | T | 35.4 | Very low | 35 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | 80.3 | 113.8 | 137.9 | 49.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 770 | R | 35.2 | Very low | 34.9 | Very low | 220 Ų | 220 | 142 Ų | 142 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | | | trans | 87.6 | 100.4 | 130.2 | -74.5 | -175.3 | 176.5 | -168.4 | -0.3 | 120.9 | | |
| 771 | T | 33.6 | Very low | 34.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | | 83.9 | 136.7 | 123.7 | 51 | 0 | 0 | 0 | 0 | 121.9 | | |
| 772 | I | 36.7 | Very low | 35 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | trans | 85.7 | 144.6 | 164.3 | -62 | 155.5 | 0 | 0 | 0 | 115.8 | | |
| 773 | K | 33.8 | Very low | 34.8 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -149.1 | 178.2 | -157 | -114.5 | -176.7 | -178.5 | -179 | 0 | 106.3 | | |
| 774 | P | 44.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | cis | -131.5 | -168.3 | -19.9 | 39.2 | -22.6 | 0 | 0 | 0 | 111.7 | | |
| 775 | L | 32.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | | -155 | 142.4 | 128.5 | -107.6 | 171.6 | 0 | 0 | 0 | 111.3 | | |
| 776 | C | 31.1 | Very low | 33.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 36.7 | 91.8 | 164 | -64.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 777 | L | 29.7 | Very low | 33.3 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | | 179.9 | 117.1 | 113.6 | -100.8 | 171.8 | 0 | 0 | 0 | 111.4 | | |
| 778 | N | 30.3 | Very low | 33.2 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -168.9 | 156.6 | 147.7 | -127.3 | -48.5 | 0 | 0 | 0 | 113.1 | | |
| 779 | L | 31.1 | Very low | 33.2 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -137.5 | 114.5 | 171 | -102.1 | 170.9 | 0 | 0 | 0 | 108.4 | | |
| 780 | K | 33.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 147 Ų | 147 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | trans | -174.9 | 131.4 | 145 | -108.8 | 178.9 | 178.1 | -68.4 | 0 | 113 | | |
| 781 | E | 32.3 | Very low | 33 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | | | | 31.7 | 123.2 | 129.4 | -61.9 | 157.3 | -157.4 | 0 | 0 | 117.5 | | |
| 782 | Q | 33.5 | Very low | 32.7 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | | -165 | 161.1 | 57.3 | -80.9 | -163.3 | 11.4 | 0 | 0 | 114.7 | | |
| 783 | N | 28.2 | Very low | 32.4 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 38.1 | 112.6 | 143.3 | -65.7 | -42.6 | 0 | 0 | 0 | 121.1 | | |
| 784 | L | 33.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | | | | -174.9 | 141.2 | 111.1 | -99.8 | 163.3 | 0 | 0 | 0 | 111.9 | | |
| 785 | S | 32 | Very low | 31.8 | Very low | 95 Ų | 95 | 140 Ų | 140 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | trans | 39.8 | 119.5 | 167.8 | -141.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 786 | S | 27.3 | Very low | 31.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | cis | 66.8 | 152.9 | 37.5 | 102.5 | 0 | 0 | 0 | 0 | 115 | | |
| 787 | V | 34.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | | | trans | 81.4 | 125.5 | -173.3 | -175.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 788 | I | 34.2 | Very low | 31.8 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | cis | -140.8 | 162.7 | -8.6 | -128.5 | 171.5 | 0 | 0 | 0 | 113.5 | | |
| 789 | T | 35.2 | Very low | 32 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 59% | 0.589 | 72% | 0.715 | S | S | * | * | | | trans | -76.8 | 157.2 | -170.2 | 53.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 790 | K | 32 | Very low | 31.8 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 78% | 0.778 | 70% | 0.703 | S | S | * | * | | | trans | 68.7 | 157.6 | 140.1 | -71.2 | 166.5 | -175.6 | -176.1 | 0 | 117 | | |
| 791 | L | 33.1 | Very low | 31.8 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | | | cis | -130.9 | 142.9 | 21 | -95.6 | 90.8 | 0 | 0 | 0 | 115.3 | | |
| 792 | D | 28.2 | Very low | 31.7 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | trans | -65.2 | 159.1 | 147.3 | -56.5 | -77.1 | 0 | 0 | 0 | 111.3 | | |
| 793 | T | 31.5 | Very low | 31.3 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | cis | -163 | 149.8 | -9.1 | 26.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 794 | S | 29.2 | Very low | 31.3 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | | | | 152.6 | 170.5 | 91.5 | 56 | 0 | 0 | 0 | 0 | 110.1 | | |
| 795 | I | 34.7 | Very low | 30.9 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | | | trans | 69.6 | 107.4 | 165 | -57.1 | 175.3 | 0 | 0 | 0 | 117.2 | | |
| 796 | E | 30.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 49% | 0.486 | 69% | 0.687 | S | S | . | * | | | trans | 37.1 | 166.2 | 138.8 | -64.3 | -170.7 | 116.2 | 0 | 0 | 123.7 | I1484 | E796-I1484 HydrophobicContact CB-CD1 4.45Š|
| 797 | D | 28.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | | | trans | 83.8 | 141.7 | 167.1 | -90.6 | -23.6 | 0 | 0 | 0 | 121.5 | I1484 | D797-I1484 WeakPolarHBondContact OD1-CD1 3.49Š|
| 798 | N | 33.6 | Very low | 30.8 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | | | trans | 73.1 | 122.8 | 157.7 | -77.9 | -56.7 | 0 | 0 | 0 | 121 | | |
| 799 | L | 35.9 | Very low | 30.7 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | | | trans | 70.9 | 115.2 | 140.9 | -58.1 | 171.1 | 0 | 0 | 0 | 114.7 | | |
| 800 | T | 26.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | | | | 43.4 | 125.1 | 65 | 82.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 801 | I | 32.8 | Very low | 30.8 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | | | | -171.8 | 126.8 | 81.9 | -110.3 | 154.2 | 0 | 0 | 0 | 106 | | |
| 802 | N | 29.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | | | trans | 45.3 | 125.6 | 132.3 | -61.9 | -28.3 | 0 | 0 | 0 | 119.3 | | |
| 803 | N | 26.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | | | | 64.1 | 129.4 | 62.2 | -177.4 | 32.5 | 0 | 0 | 0 | 111.6 | | |
| 804 | S | 27.4 | Very low | 31.3 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | | | trans | 56.7 | 127.7 | 159.8 | 63.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 805 | N | 26 | Very low | 31.5 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | | | cis | -175.1 | 174.4 | 37.5 | -121.2 | -11.3 | 0 | 0 | 0 | 111.8 | | |
| 806 | N | 28 | Very low | 31.5 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | | | trans | 53.9 | 104.1 | 148.7 | -59.3 | -6.2 | 0 | 0 | 0 | 119.4 | | |
| 807 | N | 31.7 | Very low | 31.7 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | | | | 178.3 | 123.2 | 100.5 | -89 | -19.1 | 0 | 0 | 0 | 111.2 | | |
| 808 | I | 31.4 | Very low | 32 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 66% | 0.656 | 68% | 0.684 | S | S | * | * | | | | 79.7 | 114.6 | 94.4 | -67.8 | 175.3 | 0 | 0 | 0 | 113.5 | | |
| 809 | N | 31.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | | | trans | 61 | 149.1 | 160.6 | -56.1 | -3.7 | 0 | 0 | 0 | 116.8 | L811 | N809-L811 HydrophobicContact CB-CD1 4.18Š|
| 810 | D | 35.9 | Very low | 32 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | | | cis | -119.7 | 142.3 | 23.7 | -82 | -40.3 | 0 | 0 | 0 | 113 | | |
| 811 | L | 33.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | | | | 90.2 | 109.5 | 58.6 | -106 | 76.1 | 0 | 0 | 0 | 114.7 | N809 | N809-L811 HydrophobicContact CB-CD1 4.18Š|
| 812 | T | 32.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | | | | 40.2 | 145.5 | 123.6 | 64.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 813 | T | 33.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | | | cis | -169.3 | 165.5 | 1 | 26 | 0 | 0 | 0 | 0 | 106.9 | | |
| 814 | K | 35.8 | Very low | 32.8 | Very low | 175 Ų | 175 | 128.1 Ų | 128.1 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | | | | -172.5 | 144.8 | 71.7 | -93.5 | -170.4 | 179.6 | 176.8 | 0 | 115.5 | | |
| 815 | N | 33.5 | Very low | 33.1 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | trans | 93 | 106 | 139 | -73.9 | 21.1 | 0 | 0 | 0 | 122.3 | | |
| 816 | V | 35.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | | | | 85.8 | 106.5 | 124.5 | 178.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 817 | D | 33.9 | Very low | 33.4 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | | | trans | 62.5 | 138.8 | 144.2 | -56.2 | 5.5 | 0 | 0 | 0 | 120 | | |
| 818 | N | 35.2 | Very low | 33.3 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | cis | -149.7 | 142.3 | 4.4 | -127.7 | -24.3 | 0 | 0 | 0 | 114 | | |
| 819 | V | 36.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 76% | 0.758 | 73% | 0.726 | S | S | * | * | | | trans | 28.4 | 117 | 163.5 | -174.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 820 | N | 33.2 | Very low | 33.3 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | | | trans | -140.5 | 146 | 139.8 | -145.7 | -10.8 | 0 | 0 | 0 | 108.1 | | |
| 821 | L | 33.8 | Very low | 33 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | -150.8 | 107.7 | -174.4 | -158.4 | 69 | 0 | 0 | 0 | 107.9 | | |
| 822 | C | 34.9 | Very low | 33 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 64% | 0.635 | 73% | 0.729 | S | S | * | * | | | | 65.9 | 136.1 | 83.4 | -72.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 823 | D | 32.4 | Very low | 33 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | cis | -152.6 | 153.7 | 0.4 | -93.3 | -30 | 0 | 0 | 0 | 108.2 | | |
| 824 | I | 31.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 68% | 0.677 | 72% | 0.717 | S | S | * | * | | | cis | 86.7 | 122.8 | 48.1 | -68 | -176.9 | 0 | 0 | 0 | 114.7 | | |
| 825 | K | 33.2 | Very low | 32.9 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | 87.1 | 122.9 | 161.2 | -76 | 163.1 | -171.6 | 170.6 | 0 | 123.4 | | |
| 826 | Q | 31.5 | Very low | 33.1 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 84% | 0.841 | 71% | 0.706 | S | S | * | * | | | | 59.5 | 147.2 | 125.5 | -61.7 | 164 | -30.1 | 0 | 0 | 120.9 | | |
| 827 | G | 28.8 | Very low | 33.1 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | | | cis | 162.5 | 154.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 828 | N | 29.2 | Very low | 33 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | | | trans | 95.7 | 129.9 | 174.8 | -55.6 | -13.9 | 0 | 0 | 0 | 117.1 | | |
| 829 | V | 31.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | | | cis | 95.4 | 134.2 | 22.4 | 178 | 0 | 0 | 0 | 0 | 112.7 | | |
| 830 | V | 31.5 | Very low | 32.5 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | | | cis | -98.5 | -144.9 | 17.4 | -144.6 | 0 | 0 | 0 | 0 | 114.6 | I832 | V830-I832 HydrophobicContact CG1-CD1 4.24Å; V830-I832 HydrophobicContact CG1-CG1 4.24Å |
| 831 | S | 31.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | | | cis | -143.6 | 166.7 | 19.7 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 832 | I | 33 | Very low | 32 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 67% | 0.672 | 69% | 0.686 | S | S | * | * | | | cis | 79.8 | 109 | 32.8 | -60.5 | -178.7 | 0 | 0 | 0 | 112.8 | V830 | V830-I832 HydrophobicContact CG1-CD1 4.24Å; V830-I832 HydrophobicContact CG1-CG1 4.24Å |
| 833 | D | 33.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | cis | -162.4 | 166.2 | 11.8 | -111.7 | -2 | 0 | 0 | 0 | 110.5 | | |
| 834 | N | 34.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 58% | 0.578 | 70% | 0.702 | S | S | * | * | | | cis | -165.9 | -159.5 | -18.9 | -149.5 | -64.9 | 0 | 0 | 0 | 109.6 | | |
| 835 | D | 33.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | | | trans | 79.1 | 77 | 154.9 | -83.1 | -45.5 | 0 | 0 | 0 | 123.5 | | |
| 836 | N | 37.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | | | | 78.2 | 108.8 | 111.6 | -81 | -42.3 | 0 | 0 | 0 | 125.5 | | |
| 837 | M | 34.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | | | | 94.5 | 108.2 | 116.3 | -71.2 | -81.7 | 164.5 | 0 | 0 | 124.3 | | |
| 838 | I | 32.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | | | | 104.8 | 142.5 | 125.4 | -87.4 | 171.5 | 0 | 0 | 0 | 122.3 | | |
| 839 | Q | 29.7 | Very low | 31.2 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 32% | 0.322 | 69% | 0.692 | S | S | . | * | | | trans | -79.3 | -178.1 | -174.4 | -46.6 | 178.7 | -1.5 | 0 | 0 | 112.2 | A1468 | Q839-A1468 PolarHBondContact NE2-O 3.47Š|
| 840 | K | 30.5 | Very low | 31.1 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | | | cis | -166.7 | 154.3 | 34.2 | -151.3 | 165.6 | -169.6 | 176.5 | 0 | 114.1 | | |
| 841 | Y | 27.4 | Very low | 31 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | | | trans | -75.3 | 159.6 | 173.8 | -97.4 | -99.2 | 0 | 0 | 0 | 113.7 | | |
| 842 | V | 29.7 | Very low | 30.8 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 78% | 0.782 | 69% | 0.693 | S | S | * | * | | | | 168 | 124.9 | 110.7 | 156.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 843 | K | 29.9 | Very low | 30.8 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | | | trans | -165.6 | 108 | 137 | -118.7 | 176.1 | -177.2 | 175.6 | 0 | 114.9 | | |
| 844 | K | 32.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | | | trans | 52 | 139.8 | 134.1 | -83.3 | -164 | 172.3 | -166.2 | 0 | 123.8 | | |
| 845 | N | 29.6 | Very low | 30.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | trans | 89.2 | 96 | 144.1 | -71.3 | 21.3 | 0 | 0 | 0 | 120.9 | | |
| 846 | S | 28.7 | Very low | 30.9 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | | | | 60.6 | 136 | 110.4 | -49.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 847 | L | 27.7 | Very low | 31.3 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | | | trans | 83.8 | 116.3 | 151.9 | -106.5 | 75.3 | 0 | 0 | 0 | 120.1 | | |
| 848 | S | 27.2 | Very low | 31.1 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | | | | 54.3 | 142.1 | 125.8 | 68.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 849 | Q | 28.5 | Very low | 31.3 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | cis | -171.4 | 164.8 | 13.9 | -137 | 169.3 | -15.8 | 0 | 0 | 112.2 | | |
| 850 | Y | 29.6 | Very low | 31.4 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | 60.5 | 132.9 | 170.5 | -64.1 | -79.5 | 0 | 0 | 0 | 117.7 | | |
| 851 | A | 29.5 | Very low | 31.6 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | | | cis | 87.5 | 153.8 | 21 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 852 | D | 28.5 | Very low | 31.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | cis | -117.9 | -109.2 | 9.6 | -156.4 | -115.3 | 0 | 0 | 0 | 115.6 | | |
| 853 | E | 32 | Very low | 31.9 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | cis | -167 | 154.7 | 5.4 | -164.1 | -170.8 | -96 | 0 | 0 | 111.6 | | |
| 854 | N | 31.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | trans | 78.9 | 138.1 | 171.2 | -54.5 | -69.8 | 0 | 0 | 0 | 117.3 | | |
| 855 | V | 37.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | cis | -146.5 | 124.8 | 24.1 | 175.5 | 0 | 0 | 0 | 0 | 114 | | |
| 856 | A | 33.9 | Very low | 31.6 | Very low | 87 Ų | 87 | 140.9 Ų | 140.9 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | | | trans | 61 | 172.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 857 | P | 45.9 | Very low | 32.5 | Very low | 104 Ų | 104 | 141 Ų | 141 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | | -140.5 | 166.5 | -59.9 | 40.9 | -25.6 | 0 | 0 | 0 | 117.1 | | |
| 858 | D | 31.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | trans | 52.4 | 145.5 | 150.4 | -58.9 | -25.4 | 0 | 0 | 0 | 122.1 | | |
| 859 | Q | 35.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | cis | -145 | 156.4 | 31.7 | -72.7 | -171.4 | 0.6 | 0 | 0 | 115.4 | | |
| 860 | Q | 32.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | | | trans | 65.6 | 141.4 | 154.6 | -69 | 174.5 | 55.2 | 0 | 0 | 118 | | |
| 861 | Q | 35.3 | Very low | 33.1 | Very low | 168 Ų | 168 | 138.1 Ų | 138.1 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | cis | -150.4 | 159.8 | 7.4 | -140.5 | 159.4 | 10.8 | 0 | 0 | 114.4 | | |
| 862 | N | 31.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -51.8 | 165.2 | 179.1 | -76.2 | -17.3 | 0 | 0 | 0 | 116.7 | | |
| 863 | C | 30.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | cis | -156.2 | 175.3 | 10.4 | -135.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 864 | I | 30 | Very low | 33.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -103.7 | 155.7 | 173.9 | -62.7 | 165.4 | 0 | 0 | 0 | 109.7 | | |
| 865 | N | 28.8 | Very low | 33.9 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | | | trans | -155.3 | 152.2 | 153 | -114.5 | -26.8 | 0 | 0 | 0 | 116.2 | | |
| 866 | Y | 28.3 | Very low | 33.6 | Very low | 219 Ų | 219 | 137.5 Ų | 137.5 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -113.5 | -178.5 | 165.5 | -105.5 | -62 | 0 | 0 | 0 | 107.5 | | |
| 867 | P | 46.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -119 | -175.3 | -139.9 | 35.2 | -16.3 | 0 | 0 | 0 | 116.4 | | |
| 868 | V | 32.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | | | trans | 116.6 | 105.7 | 155.1 | -177.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 869 | N | 29.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | 66 | 155.8 | 151.4 | -63 | -5 | 0 | 0 | 0 | 119.2 | | |
| 870 | Q | 30.9 | Very low | 32.1 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | | | cis | -154.9 | 179.1 | 8.7 | -141.2 | 165.3 | 23 | 0 | 0 | 113.1 | | |
| 871 | S | 34.3 | Very low | 32.1 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 75.3 | 151.1 | 170.1 | 79.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 872 | N | 30 | Very low | 31.8 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | cis | -178.1 | 173.3 | -37.6 | -118.5 | 23.7 | 0 | 0 | 0 | 106.4 | | |
| 873 | P | 41.7 | Very low | 31.8 | Very low | 90 Ų | 90 | 138.8 Ų | 138.8 | 58% | 0.584 | 76% | 0.761 | S | S | * | * | | | cis | -128.2 | -168 | -3.3 | 43.2 | -27.1 | 0 | 0 | 0 | 113.6 | | |
| 874 | D | 31 | Very low | 31.7 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | 64.5 | 145.6 | 153.9 | -61.6 | -18.1 | 0 | 0 | 0 | 119.9 | | |
| 875 | M | 34.4 | Very low | 32.1 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | cis | -150.2 | 169.1 | -7 | -120.9 | -66.8 | -176.7 | 0 | 0 | 110.3 | | |
| 876 | S | 31.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 134.1 Ų | 134.1 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | | | trans | -105.4 | 146.3 | -175.2 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 877 | D | 26.6 | Very low | 32.4 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | 65.7 | 153.7 | 145.1 | -96.6 | -42 | 0 | 0 | 0 | 122.3 | | |
| 878 | L | 30.9 | Very low | 31.6 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | | | trans | 75.1 | 149.5 | 155.2 | -74.9 | 165.8 | 0 | 0 | 0 | 123.1 | | |
| 879 | S | 30 | Very low | 31.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 84.6 | 124.5 | 159.5 | 73.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 880 | L | 28.4 | Very low | 31.6 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -77.1 | 142.8 | 161.6 | -50.2 | 101.4 | 0 | 0 | 0 | 108.7 | | |
| 881 | H | 32 | Very low | 32 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | | | | -173.1 | 117.5 | 118.3 | -109.3 | -75.5 | 0 | 0 | 0 | 114.3 | | |
| 882 | S | 29.1 | Very low | 31.8 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | trans | 38.7 | 146.9 | 134.3 | 60.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 883 | I | 32.8 | Very low | 31.9 | Very low | 152 Ų | 152 | 128 Ų | 128 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | 79.4 | 95.5 | 167 | -52 | 149.8 | 0 | 0 | 0 | 112.4 | | |
| 884 | S | 28.2 | Very low | 31.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | | 68.9 | 104.1 | 60.3 | -51.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 885 | P | 37.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | | -100.5 | 134.7 | 128.9 | 32.9 | -29 | 0 | 0 | 0 | 108.8 | | |
| 886 | V | 31.4 | Very low | 31.7 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | | 59.4 | 75.4 | 68.1 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | I888 | V886-I888 HydrophobicContact CG1-CB 4.08Å; V886-I888 HydrophobicContact CG1-CD1 3.96Å; V886-I888 HydrophobicContact CG1-CG1 3.89Å; V886-I888 PolarHBondContact O-N 3.18Å |
| 887 | S | 32.9 | Very low | 31.8 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -93.9 | 70.2 | 165.4 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 888 | I | 29.8 | Very low | 32.7 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 67% | 0.672 | 76% | 0.764 | S | S | * | * | | | trans | -109.5 | 105.1 | -177.1 | -65.2 | -176.5 | 0 | 0 | 0 | 110.8 | V886 | V886-I888 HydrophobicContact CG1-CB 4.08Å; V886-I888 HydrophobicContact CG1-CD1 3.96Å; V886-I888 HydrophobicContact CG1-CG1 3.89Å; V886-I888 PolarHBondContact O-N 3.18Å |
| 889 | S | 29.9 | Very low | 32.7 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 66.7 | 138.8 | 142.7 | -54.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 890 | S | 30.5 | Very low | 33 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | 76 | 148.9 | 154.5 | -58.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 891 | P | 39.7 | Very low | 33 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | cis | -80 | 173.3 | 5.1 | 33.6 | -36.2 | 0 | 0 | 0 | 113.6 | | |
| 892 | L | 30.8 | Very low | 32.9 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | | | cis | 156.5 | 103.2 | -22.8 | 176.3 | 73.4 | 0 | 0 | 0 | 104.9 | | |
| 893 | L | 30.6 | Very low | 32.9 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | trans | 66.7 | 140.3 | 168.9 | -57.6 | 168.1 | 0 | 0 | 0 | 116.4 | | |
| 894 | T | 34.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | | | cis | -134 | 138.4 | 15.8 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 895 | S | 34.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | trans | 70.2 | 174.9 | 174.7 | -16.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 896 | S | 34.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | -174.6 | 165.2 | -22.8 | 38.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 897 | S | 33.3 | Very low | 32.5 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | cis | -159 | 165 | -21.8 | -88 | 0 | 0 | 0 | 0 | 108.3 | | |
| 898 | P | 45.3 | Very low | 32.4 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | trans | -124.7 | 169.2 | -151.2 | 43.3 | -33.5 | 0 | 0 | 0 | 119.2 | | |
| 899 | D | 31.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -167.7 | 159.1 | 156.1 | -165.3 | 50.4 | 0 | 0 | 0 | 108.5 | | |
| 900 | T | 35.6 | Very low | 32.7 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 64% | 0.638 | 76% | 0.764 | S | S | * | * | | | cis | -116.9 | -106.2 | -4.9 | -22.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 901 | M | 28.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | cis | -163.7 | 160.9 | -6 | -131.5 | -37.6 | 154.8 | 0 | 0 | 112.7 | | |
| 902 | C | 28.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | trans | 55.5 | 114.2 | 158.8 | -70.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 903 | S | 29 | Very low | 32.2 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | 172.3 | 140.1 | 117.6 | -82.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 904 | I | 32.6 | Very low | 32.6 | Very low | 153 Ų | 153 | 122.1 Ų | 122.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 79.6 | 106.5 | 142.1 | -65.2 | 166.8 | 0 | 0 | 0 | 122.9 | | |
| 905 | V | 30.1 | Very low | 32.2 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | | 53.7 | 111.1 | 125.9 | -171 | 0 | 0 | 0 | 0 | 123.6 | | |
| 906 | I | 28 | Very low | 32.1 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | trans | 44.6 | 108.8 | 139.4 | -47.4 | 168.6 | 0 | 0 | 0 | 120.3 | | |
| 907 | T | 32 | Very low | 31.8 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | | | | -168.3 | 177 | 116.2 | 13 | 0 | 0 | 0 | 0 | 112.8 | | |
| 908 | S | 31.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | trans | -52.8 | 157 | -171.2 | 47.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 909 | L | 29.2 | Very low | 31.1 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | -18.2 | 155.4 | 152.7 | -85.2 | 72.3 | 0 | 0 | 0 | 117.3 | | |
| 910 | P | 36.2 | Very low | 31.1 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | | | cis | -145.7 | 175.3 | 29.6 | 38.6 | -18.1 | 0 | 0 | 0 | 119 | | |
| 911 | S | 30.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | 68.4 | 147.5 | 141.8 | 59.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 912 | S | 32.7 | Very low | 31.1 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | 83.8 | 130.2 | 161.1 | -26.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 913 | S | 27.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | -58.4 | 158.6 | 158.9 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 914 | P | 37.6 | Very low | 31.4 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | cis | -113.4 | 165.8 | 39.4 | 10.5 | 13.9 | 0 | 0 | 0 | 113.8 | | |
| 915 | E | 26.9 | Very low | 31.4 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | | | cis | 82.9 | 143.5 | 30.6 | -156.3 | -176.6 | -129.4 | 0 | 0 | 115.1 | | |
| 916 | M | 33 | Very low | 31.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | | | trans | 72 | 130 | 177 | -63.5 | -145.1 | -82 | 0 | 0 | 117.1 | | |
| 917 | N | 28.5 | Very low | 31.7 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | | | cis | 106.8 | 165 | 28.9 | -77.2 | -25.8 | 0 | 0 | 0 | 111.8 | | |
| 918 | N | 31.4 | Very low | 31.7 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | | | trans | 79.6 | 155.4 | 179.9 | -41.5 | -64.6 | 0 | 0 | 0 | 113.3 | | |
| 919 | L | 32.5 | Very low | 31.7 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | cis | -137.4 | 114.8 | 16.7 | -68.6 | 155.2 | 0 | 0 | 0 | 112.6 | L921 | L919-L921 HydrophobicContact CB-CD1 3.84Å; L919-L921 HydrophobicContact CD2-CD1 3.52Å; L919-L921 HydrophobicContact CG-CD1 4.26Å |
| 920 | Q | 31.2 | Very low | 32 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | S | Bend | | -139.8 | 107 | 99 | -73.6 | -151 | -61.2 | 0 | 0 | 106.3 | | |
| 921 | L | 31.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 63% | 0.634 | 72% | 0.723 | S | S | * | * | | | | 60.8 | 125.1 | 93.3 | -81.5 | 86.6 | 0 | 0 | 0 | 111.8 | L919 | L919-L921 HydrophobicContact CB-CD1 3.84Å; L919-L921 HydrophobicContact CD2-CD1 3.52Å; L919-L921 HydrophobicContact CG-CD1 4.26Å |
| 922 | S | 32.1 | Very low | 32 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | cis | -156.1 | 133.4 | 21.7 | 58.8 | 0 | 0 | 0 | 0 | 114 | | |
| 923 | T | 32.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | | | | 27 | 143.6 | 126.4 | 62 | 0 | 0 | 0 | 0 | 120 | | |
| 924 | I | 32.4 | Very low | 32.3 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | | | cis | -168.6 | 151.6 | 16.7 | -121.9 | 166.5 | 0 | 0 | 0 | 112 | | |
| 925 | Y | 32.7 | Very low | 32.1 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | | | trans | 74.6 | 143.5 | 152.1 | -84 | -137.5 | 0 | 0 | 0 | 125 | | |
| 926 | E | 32.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | | | trans | 56.1 | 120.3 | 146.5 | -75.4 | 161.3 | -170 | 0 | 0 | 120.3 | | |
| 927 | E | 31.3 | Very low | 31.9 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | | 71.6 | 142.1 | 98.2 | -69 | -166.5 | -174.9 | 0 | 0 | 114.6 | | |
| 928 | T | 33.1 | Very low | 32 | Very low | 106 Ų | 106 | 131 Ų | 131 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | cis | -156.8 | 158.2 | 2.1 | 4.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 929 | E | 31.2 | Very low | 32 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | | | trans | 61.3 | 168.6 | 154.6 | -68.8 | -174.1 | -166.3 | 0 | 0 | 118.7 | | |
| 930 | T | 35.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | cis | -147.8 | 154.2 | -14.3 | 5.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 931 | S | 32.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | | | trans | 49.9 | 126.3 | 147.6 | 65.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 932 | S | 33.3 | Very low | 31.8 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | | | trans | 75 | 148.6 | 132.8 | 79.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 933 | T | 35.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | cis | -157.1 | 135.9 | -1.5 | -4.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 934 | T | 33.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | | | trans | 44.8 | 141.3 | 142.1 | 57.1 | 0 | 0 | 0 | 0 | 122 | | |
| 935 | I | 32.9 | Very low | 31.6 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | | | cis | -152.6 | 148.4 | 2.4 | -118.1 | 156.1 | 0 | 0 | 0 | 109.5 | | |
| 936 | S | 27.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | | | trans | -109.6 | 167.5 | 172.2 | -77 | 0 | 0 | 0 | 0 | 111.8 | | |
| 937 | S | 27.8 | Very low | 31.5 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | trans | -93.3 | 175 | 170 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 938 | V | 31 | Very low | 31.7 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | | | trans | 98.1 | 103.1 | 162.8 | -172.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 939 | V | 31.2 | Very low | 31.7 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | 81.3 | 107.9 | 139.8 | 174.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 940 | S | 28.5 | Very low | 31.8 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | | 53.2 | 135.6 | 125.9 | -49.4 | 0 | 0 | 0 | 0 | 125.9 | | |
| 941 | V | 31.4 | Very low | 31.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | | | trans | 71.7 | 133 | 134.7 | 164.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 942 | E | 30.4 | Very low | 31.9 | Very low | 144 Ų | 144 | 132 Ų | 132 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | | | cis | -166.8 | 164.6 | -0.8 | -124.2 | 175.5 | -137.8 | 0 | 0 | 111.3 | | |
| 943 | N | 31 | Very low | 32.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | | | trans | 64.5 | 153.1 | 156 | -53.2 | -27.1 | 0 | 0 | 0 | 118.5 | | |
| 944 | E | 29.5 | Very low | 32 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | cis | -157.4 | 158.6 | -7.1 | -130.8 | 179.3 | -153.6 | 0 | 0 | 112.8 | | |
| 945 | H | 32.1 | Very low | 32 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | | | trans | 60.5 | 106.5 | 147.6 | -87.9 | -41.4 | 0 | 0 | 0 | 126.3 | | |
| 946 | K | 31.3 | Very low | 31.7 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | | | | 96.6 | 137.7 | 106.3 | -131.7 | -166.3 | 175.8 | -175.3 | 0 | 122.4 | | |
| 947 | I | 31.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | | | trans | 62.2 | 143.9 | 166.2 | 11.7 | -175.2 | 0 | 0 | 0 | 115.7 | | |
| 948 | E | 34.4 | Very low | 32.2 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | cis | -142.9 | 159.7 | 20.2 | -62.8 | -173.9 | 144 | 0 | 0 | 115 | | |
| 949 | N | 33 | Very low | 32.6 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | trans | 57.3 | 149.8 | 144.8 | -59.5 | -9 | 0 | 0 | 0 | 121.2 | | |
| 950 | E | 33.9 | Very low | 32.5 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | cis | -161.7 | 145.7 | -4.7 | -125.9 | -176.3 | 166.1 | 0 | 0 | 112.8 | | |
| 951 | T | 34.5 | Very low | 33.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 74% | 0.74 | S | S | * | * | | | trans | 63.8 | 160.1 | 160 | 73.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 952 | I | 36.2 | Very low | 33.3 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | cis | -139.4 | 129.9 | 12.5 | -72.7 | 178.9 | 0 | 0 | 0 | 110.5 | | |
| 953 | I | 36.9 | Very low | 33.4 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | 53 | 133.8 | 151.2 | -61.4 | 170.6 | 0 | 0 | 0 | 120.4 | | |
| 954 | E | 33.9 | Very low | 33.6 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | cis | -157.7 | 168.1 | -13.1 | -114.4 | 179.7 | 155.8 | 0 | 0 | 112.5 | | |
| 955 | S | 32 | Very low | 33.8 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | -58.5 | 151.1 | 175.7 | 35.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 956 | C | 26.4 | Very low | 33.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | cis | 73.3 | 102.7 | 43.5 | -65.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 957 | S | 29.9 | Very low | 33.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | 164.5 | 157.7 | 132.2 | -75.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 958 | T | 36.6 | Very low | 34 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | -80.4 | 167.7 | 173.2 | 43.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 959 | P | 39.9 | Very low | 33.8 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | cis | -150.4 | -170.9 | 39.6 | 43.6 | -20.7 | 0 | 0 | 0 | 119.4 | | |
| 960 | N | 28.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -52 | 161.6 | 168.1 | -118 | -18.5 | 0 | 0 | 0 | 113.4 | | |
| 961 | P | 43.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | | | | -153.7 | 177 | 50 | 42.9 | -22.3 | 0 | 0 | 0 | 119.5 | | |
| 962 | T | 33.2 | Very low | 33 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | | | trans | 64.5 | 150 | 154.7 | 45.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 963 | A | 33.7 | Very low | 32.9 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | cis | -168.6 | 165.2 | -15.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 964 | I | 34.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | 75.7 | 126.2 | 154.3 | -68.8 | 155 | 0 | 0 | 0 | 119.9 | | |
| 965 | K | 34.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | 19.3 | 152.6 | 139.5 | -54.6 | -178.7 | -178.3 | -177.7 | 0 | 121.2 | | |
| 966 | S | 32.5 | Very low | 32.8 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | cis | -178.1 | 154.8 | -10.3 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 967 | E | 33.4 | Very low | 33.1 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | 70 | 136.7 | 155.6 | -75.5 | 177.2 | -140.2 | 0 | 0 | 122.4 | | |
| 968 | N | 33.8 | Very low | 33.3 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | trans | 63.7 | 118.5 | 144.6 | -56.5 | -14.8 | 0 | 0 | 0 | 124.6 | | |
| 969 | E | 29.7 | Very low | 33.3 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | 78 | 143.3 | 133 | -85.4 | -166.6 | 122.5 | 0 | 0 | 125.3 | | |
| 970 | L | 29 | Very low | 33.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | | | trans | 71.1 | 86.1 | 144.4 | -71.1 | 164.2 | 0 | 0 | 0 | 123.1 | | |
| 971 | T | 26 | Very low | 33.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | | | | 73.1 | 169.4 | 122.1 | 54.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 972 | I | 30.2 | Very low | 33 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | | | trans | 79.8 | 99.8 | 166.6 | -50.5 | 180 | 0 | 0 | 0 | 114.8 | | |
| 973 | I | 33.8 | Very low | 33 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | | | | 67 | 104.5 | 59.8 | -53.5 | 170.2 | 0 | 0 | 0 | 113.8 | | |
| 974 | P | 40.7 | Very low | 33 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | | | | -136.9 | 146.6 | 115.6 | 10.6 | 12.7 | 0 | 0 | 0 | 113.3 | | |
| 975 | S | 28.6 | Very low | 33 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | | 79.3 | 140 | 63 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 976 | T | 32 | Very low | 33.1 | Very low | 122 Ų | 122 | 127 Ų | 127 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | cis | -167.7 | 175.3 | 7.4 | 3.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 977 | S | 32 | Very low | 33.7 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | 71.8 | 143.9 | 149.5 | 44.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 978 | S | 33.2 | Very low | 33.5 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | cis | -170.3 | 179.7 | -8.1 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 979 | I | 37.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 123.6 Ų | 123.6 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | 107.5 | 104 | 155.4 | -65.4 | 171.8 | 0 | 0 | 0 | 119.1 | | |
| 980 | I | 35.5 | Very low | 33.3 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | trans | 69.2 | 129.4 | 140.2 | -69.2 | -179.9 | 0 | 0 | 0 | 118.9 | | |
| 981 | V | 36.7 | Very low | 33.5 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | cis | -162.3 | 153.7 | -2 | 102.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 982 | N | 34.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | | | trans | 63.2 | 119.4 | 157.3 | -69.4 | 4.4 | 0 | 0 | 0 | 125.3 | | |
| 983 | N | 32.1 | Very low | 34.3 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | 72.6 | 139.1 | 130.6 | -58.4 | 2.9 | 0 | 0 | 0 | 119.7 | | |
| 984 | T | 34.2 | Very low | 34.3 | Very low | 125 Ų | 125 | 118.8 Ų | 118.8 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | | | cis | -172.3 | 167.1 | -6.3 | 19.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 985 | S | 33.3 | Very low | 34 | Very low | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | cis | -168.4 | 121.8 | -10 | 43 | 0 | 0 | 0 | 0 | 106.1 | | |
| 986 | V | 37.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | | 88.9 | 136.4 | 75.1 | 165.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 987 | P | 43.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -132.8 | -107.2 | -143.7 | 39.6 | -17.4 | 0 | 0 | 0 | 116.6 | | |
| 988 | S | 30.3 | Very low | 34.5 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -85.3 | 143.5 | -147.9 | -42.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 989 | S | 30.4 | Very low | 34.4 | Very low | 99 Ų | 99 | 122.5 Ų | 122.5 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | | | trans | 64.5 | 129.1 | 136 | 61.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 990 | L | 29.7 | Very low | 34.3 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | 71.5 | 110.8 | 151.8 | -90.5 | 80.7 | 0 | 0 | 0 | 121 | | |
| 991 | S | 32.6 | Very low | 34.1 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | | 154.7 | 107.4 | 107.4 | -67.1 | 0 | 0 | 0 | 0 | 116 | | |
| 992 | A | 31.6 | Very low | 34 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 40.8 | 178.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 993 | P | 41.7 | Very low | 34 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | cis | -130.4 | 175.6 | -19.7 | 40.9 | -26.2 | 0 | 0 | 0 | 115.2 | | |
| 994 | S | 32.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | 68.6 | 145.7 | 157.5 | 75 | 0 | 0 | 0 | 0 | 118.4 | | |
| 995 | S | 34.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -142.1 | -164.3 | 8.5 | 55.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 996 | S | 34.4 | Very low | 34.1 | Very low | 95 Ų | 95 | 121 Ų | 121 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | cis | -156.1 | -158.8 | 13 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 997 | T | 35.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -14.5 | 137.1 | 157.7 | 52.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 998 | S | 33.4 | Very low | 33.4 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | cis | 176.2 | 153.8 | 5.1 | 42 | 0 | 0 | 0 | 0 | 109.6 | | |
| 999 | E | 32.1 | Very low | 33.6 | Very low | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | | | cis | -173.1 | -152.9 | -21 | -151.5 | -159.1 | 90.3 | 0 | 0 | 108.9 | | |
| 1000 | I | 34 | Very low | 33.8 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | 71.6 | 101 | 164.2 | -72.6 | 175.2 | 0 | 0 | 0 | 119.3 | | |
| 1001 | V | 32.7 | Very low | 34 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | trans | 81.2 | 108.6 | 132.8 | 174.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1002 | L | 33.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 119.7 Ų | 119.7 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | 54.9 | 139.4 | 146.5 | -53.6 | 170.8 | 0 | 0 | 0 | 119.2 | | |
| 1003 | S | 34 | Very low | 34.1 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | cis | -178.2 | 166.3 | -4.6 | -96.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1004 | S | 34.6 | Very low | 33.5 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | | | cis | -175 | 178.3 | -28.1 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1005 | H | 34.2 | Very low | 33.6 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | trans | 65.8 | 60.3 | 158.4 | -68.6 | 86.2 | 0 | 0 | 0 | 122.8 | | |
| 1006 | S | 33.5 | Very low | 33.3 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | | 34.1 | 121.5 | 111.1 | 68.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 1007 | Q | 33.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | | 69.4 | 112.2 | 114.4 | -67.4 | 179 | -4.8 | 0 | 0 | 125 | | |
| 1008 | S | 33.2 | Very low | 33.4 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | | 43.6 | 123.2 | 120.6 | 67.7 | 0 | 0 | 0 | 0 | 125.6 | | |
| 1009 | S | 34.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | | 73 | 107.7 | 127.2 | 67 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1010 | S | 34.4 | Very low | 33.6 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | | | | 88.8 | 105.7 | 120.2 | -59.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1011 | S | 32.7 | Very low | 33.7 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | trans | 74.9 | 150.5 | 147.2 | 85.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1012 | S | 31.4 | Very low | 34 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | cis | -157 | -179.8 | 1 | -152.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1013 | F | 34.9 | Very low | 34.3 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 88% | 0.882 | 74% | 0.739 | S | S | * | * | | | trans | 75.3 | 172.7 | 173.3 | -70.7 | -78.6 | 0 | 0 | 0 | 118.6 | | |
| 1014 | M | 30.7 | Very low | 34.4 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -140.4 | 169.2 | -145.7 | -95 | -89.5 | -75.8 | 0 | 0 | 114 | | |
| 1015 | L | 33 | Very low | 34.3 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | 77 | 149.9 | 177.4 | -62.4 | 110 | 0 | 0 | 0 | 117.1 | | |
| 1016 | A | 29.9 | Very low | 34.4 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | cis | -174.3 | 162.6 | -29.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1017 | A | 32.4 | Very low | 34.5 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | trans | 69.6 | 134.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1018 | T | 37.5 | Very low | 34.6 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | cis | -159.3 | 166.1 | -0.4 | 11.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1019 | E | 35.8 | Very low | 35.2 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 66% | 0.659 | 75% | 0.748 | S | S | * | * | | | cis | -105.9 | -97 | 1.7 | -156.2 | -161.2 | 132.3 | 0 | 0 | 111.9 | | |
| 1020 | A | 34.6 | Very low | 35.2 | Very low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | | | cis | 57.1 | 175.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1021 | I | 36.2 | Very low | 35.1 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | cis | -132.7 | 156.2 | 6.8 | 10.5 | 175.3 | 0 | 0 | 0 | 109.3 | | |
| 1022 | M | 39.2 | Very low | 35.9 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | S | Bend | cis | -137 | 161.7 | 13.2 | -109.2 | -159.8 | -66.3 | 0 | 0 | 112.4 | | |
| 1023 | K | 39.5 | Very low | 36.3 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | trans | 43.2 | 123.3 | 154 | -64.1 | 172.4 | -177.5 | 171.2 | 0 | 119.2 | | |
| 1024 | S | 36.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | cis | 171.5 | 157.5 | -9.2 | 34.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1025 | S | 33.4 | Very low | 36.6 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | | | cis | -178 | 167.3 | -22.6 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1026 | L | 34.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | 69.3 | 151.5 | 171.6 | -44.1 | 178.1 | 0 | 0 | 0 | 115.3 | | |
| 1027 | N | 35.3 | Very low | 37 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -170.2 | 168.4 | -12.1 | -107.6 | -14.4 | 0 | 0 | 0 | 107.5 | | |
| 1028 | S | 36.2 | Very low | 37.2 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -168.9 | 163.3 | -33.8 | -96.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1029 | P | 45.9 | Very low | 36.8 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | | | trans | -120.6 | 174 | -155.6 | 42.1 | -32.3 | 0 | 0 | 0 | 117.2 | | |
| 1030 | S | 34.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | 158.8 | 160.4 | 133.7 | -70.7 | 0 | 0 | 0 | 0 | 116 | | |
| 1031 | S | 33.5 | Very low | 36.5 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -130.2 | -160.9 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1032 | P | 48 | Very low | 36.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | cis | -133.6 | -173.3 | -18.9 | 41.4 | -23.8 | 0 | 0 | 0 | 114.5 | | |
| 1033 | G | 39.6 | Very low | 36.4 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | 177.1 | 84.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1034 | L | 36.8 | Very low | 36.6 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | 48.9 | 139.3 | 148.4 | -68.8 | 175.4 | 0 | 0 | 0 | 125.2 | | |
| 1035 | L | 36.2 | Very low | 36.4 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 75.3 | 94.7 | 154.2 | -66.9 | 168.3 | 0 | 0 | 0 | 122.3 | | |
| 1036 | L | 35.7 | Very low | 36.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | 42.8 | 143.3 | 128.6 | -65.1 | 169.4 | 0 | 0 | 0 | 122.2 | | |
| 1037 | P | 35.6 | Very low | 36.3 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -134.4 | 135.7 | -48.2 | 35 | -18.2 | 0 | 0 | 0 | 112.8 | | |
| 1038 | P | 36.7 | Very low | 36.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | | | trans | -93.4 | 117.6 | -174.8 | 33.6 | -32.6 | 0 | 0 | 0 | 114.7 | | |
| 1039 | R | 28.4 | Very low | 36.4 | Very low | 245 Ų | 245 | 135.6 Ų | 135.6 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -73 | 111.6 | 138.7 | -84.8 | -177.5 | 170.1 | -173 | -2.4 | 107.6 | | |
| 1040 | R | 32.5 | Very low | 36.1 | Very low | 231 Ų | 231 | 135.2 Ų | 135.2 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | | | trans | -168.9 | 149.4 | 150.2 | -110.4 | 154.9 | -164.7 | -82.7 | 1.4 | 115.1 | | |
| 1041 | S | 33 | Very low | 35.9 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | trans | -64.4 | 150.2 | 168.7 | 50.5 | 0 | 0 | 0 | 0 | 114 | T1043 | S1041-T1043 PolarHBondContact O-N 3.34Å; S1041-T1043 VanDerWaalsContact O-N 3.12Å |
| 1042 | S | 30.9 | Very low | 36 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | -71.5 | 93.6 | 161.8 | 34.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1043 | T | 42 | Very low | 35.2 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | -100.3 | -167.2 | 138.8 | 63.8 | 0 | 0 | 0 | 0 | 105.6 | S1041 | S1041-T1043 PolarHBondContact O-N 3.34Å; S1041-T1043 VanDerWaalsContact O-N 3.12Å |
| 1044 | P | 42.2 | Very low | 34.9 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | cis | -124.8 | -160.7 | 15.3 | 22.9 | 6.3 | 0 | 0 | 0 | 111.4 | | |
| 1045 | I | 32.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | | | | -170.7 | 150.1 | 50.4 | -85.5 | -177.5 | 0 | 0 | 0 | 105.4 | | |
| 1046 | E | 32 | Very low | 34.3 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -148 | 175.1 | 16 | -146 | 148.9 | -152.2 | 0 | 0 | 114.8 | | |
| 1047 | H | 35.1 | Very low | 34.2 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | | | trans | 68.6 | 154.3 | 162.7 | -65.6 | -47.5 | 0 | 0 | 0 | 119.3 | | |
| 1048 | S | 31.1 | Very low | 34.2 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | -148.8 | 173.6 | -146.6 | -82.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1049 | P | 42.4 | Very low | 34 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | | | trans | -87.5 | -168.4 | -157.3 | 41.9 | -39.9 | 0 | 0 | 0 | 111.3 | | |
| 1050 | P | 38.8 | Very low | 34.2 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | | | cis | -137.3 | -175.7 | 6.1 | 43.7 | -26.6 | 0 | 0 | 0 | 115.8 | | |
| 1051 | Y | 31.5 | Very low | 34.1 | Very low | 208 Ų | 208 | 121.2 Ų | 121.2 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | | | | -159.4 | 168.1 | 122 | -128.8 | -105.8 | 0 | 0 | 0 | 114.5 | | |
| 1052 | I | 34.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | | | trans | -68.2 | 143.9 | -171.6 | -70.5 | 151 | 0 | 0 | 0 | 113.5 | Q1054 | I1052-Q1054 HydrophobicContact CG2-CG 4.41Å; I1052-Q1054 PolarHBondContact O-N 3.02Å |
| 1053 | P | 31.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | | | trans | -76.7 | 115.5 | 168.9 | 31.1 | -33.3 | 0 | 0 | 0 | 111.7 | | |
| 1054 | Q | 33.4 | Very low | 33.9 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | | | trans | -121.1 | 122.6 | 166.1 | -86.5 | -110.5 | -5.4 | 0 | 0 | 110.3 | I1052 | I1052-Q1054 HydrophobicContact CG2-CG 4.41Å; I1052-Q1054 PolarHBondContact O-N 3.02Å |
| 1055 | L | 29.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 129 Ų | 129 | 78% | 0.775 | 69% | 0.686 | S | S | * | * | | | trans | 37.2 | 142.9 | 140.6 | -79.7 | 153.6 | 0 | 0 | 0 | 121.6 | | |
| 1056 | S | 32 | Very low | 33.3 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | | | trans | 73.3 | 142.4 | 166.9 | 86.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1057 | F | 33.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | | | cis | -163.1 | 143.1 | -23.8 | -123.4 | -38.2 | 0 | 0 | 0 | 108 | | |
| 1058 | I | 34 | Very low | 32.9 | Very low | 60 Ų | 60 | 128 Ų | 128 | 31% | 0.308 | 69% | 0.687 | S | S | . | * | | | trans | 76.9 | 103 | 145.7 | -50.5 | 162.5 | 0 | 0 | 0 | 119 | T1154 A1156 | I1058-T1154 HydrophobicContact CG2-CG2 3.77Å; I1058-A1156 HydrophobicContact CD1-CB 4.07Å |
| 1059 | N | 32.9 | Very low | 32.7 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | | | | 41.5 | 140.7 | 125.1 | -50.9 | -20.4 | 0 | 0 | 0 | 123.2 | T1154 | N1059-T1154 VanDerWaalsContact CB-OG1 3.29Å; N1059-T1154 WeakPolarHBondContact CB-OG1 3.35Å; N1059-T1154 PolarHBondContact O-OG1 2.94Å |
| 1060 | S | 32.7 | Very low | 32 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 44% | 0.441 | 68% | 0.684 | S | S | . | * | | | | 43.3 | 141.8 | 124.9 | -56.5 | 0 | 0 | 0 | 0 | 121.4 | T1153 T1154 | S1060-T1153 WeakPolarHBondContact CB-O 3.16Å; S1060-T1153 PolarHBondContact OG-OG1 2.73Å; S1060-T1154 PolarHBondContact O-OG1 3.09Å |
| 1061 | C | 29.7 | Very low | 31.5 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 57% | 0.574 | 69% | 0.69 | S | S | * | * | | | cis | -171 | 159.7 | 6.6 | -124.8 | 0 | 0 | 0 | 0 | 111.4 | T1152 | C1061-T1152 HydrophobicContact CB-CG2 3.99Š|
| 1062 | K | 33.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | | | trans | 72.1 | 159.5 | 172.8 | -49.4 | 156.2 | -177.4 | 167.7 | 0 | 112.6 | | |
| 1063 | K | 35.6 | Very low | 31.8 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | | | cis | -150.3 | 153.7 | 4.1 | -148.2 | -178.3 | 179.9 | -169.7 | 0 | 110.6 | | |
| 1064 | S | 33.2 | Very low | 31.9 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | | | trans | 35.8 | 108.3 | 150.8 | 54.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1065 | N | 29.8 | Very low | 32.5 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 69% | 0.685 | S | S | * | * | | | | 36.3 | 144.9 | 124.9 | -74.7 | 22.8 | 0 | 0 | 0 | 123.1 | | |
| 1066 | L | 32.5 | Very low | 33.6 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | | | trans | 84 | 104.4 | 159.1 | -69.6 | 166.7 | 0 | 0 | 0 | 117.6 | | |
| 1067 | N | 29.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | | | trans | 54 | 124.9 | 139.4 | -64.1 | 47.6 | 0 | 0 | 0 | 120.8 | | |
| 1068 | E | 28.9 | Very low | 33.9 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | | | | 37 | 120.2 | 120 | -49.5 | 166.5 | 132.9 | 0 | 0 | 116.3 | | |
| 1069 | T | 27.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | | | | -169.6 | 160.7 | 69.6 | 22.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1070 | C | 27.6 | Very low | 34.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | | | trans | 70.9 | 162.6 | 150 | -73 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1071 | E | 29.1 | Very low | 34.4 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | | | cis | -145.8 | 161.2 | 16.4 | -156.8 | 159 | -129.3 | 0 | 0 | 117.2 | | |
| 1072 | S | 33.3 | Very low | 34.6 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | | | trans | 92.7 | 126.2 | 153 | 89.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1073 | K | 37.3 | Very low | 34.6 | Very low | 193 Ų | 193 | 134.8 Ų | 134.8 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | cis | -147 | 145.9 | 14 | -64.7 | 170.7 | -173.6 | 172 | 0 | 112.6 | | |
| 1074 | S | 35.2 | Very low | 34.4 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | cis | -162.3 | -47.5 | -27.3 | 34.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1075 | P | 45.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | | | trans | -124.8 | 165.9 | -159.2 | 34.6 | -16.1 | 0 | 0 | 0 | 115.9 | | |
| 1076 | P | 50.6 | Low | 34.6 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | | | cis | -109.6 | 154.2 | 16.1 | 9.7 | 14.9 | 0 | 0 | 0 | 114.5 | | |
| 1077 | Q | 38.3 | Very low | 34.6 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | | | | 58.5 | 135.9 | 78.1 | -63.8 | -170.1 | -3.8 | 0 | 0 | 115.1 | | |
| 1078 | L | 34.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | | | cis | -162.5 | 163.6 | 5.9 | -122 | 169.3 | 0 | 0 | 0 | 111.8 | | |
| 1079 | H | 39.1 | Very low | 35.1 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | trans | 65 | 148.3 | 169.3 | -64.6 | -66.2 | 0 | 0 | 0 | 118.4 | | |
| 1080 | D | 35.8 | Very low | 35.3 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | cis | -155.8 | -176.9 | -7.9 | -116.5 | -1.7 | 0 | 0 | 0 | 113.3 | | |
| 1081 | T | 35.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | trans | -142.7 | 154.5 | -159.4 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1082 | T | 33.6 | Very low | 35.6 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | cis | -171.3 | 164.6 | 6.6 | 10.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1083 | I | 33.2 | Very low | 35.6 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | | | trans | 64.2 | 118.2 | 151.4 | -58.9 | 152 | 0 | 0 | 0 | 120.1 | | |
| 1084 | L | 32.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | | 172.4 | 134.5 | 119.7 | -96.5 | -172.7 | 0 | 0 | 0 | 113.8 | | |
| 1085 | H | 33.5 | Very low | 35.1 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 59.4 | 150.8 | 161.2 | -56.5 | 127.9 | 0 | 0 | 0 | 118.3 | | |
| 1086 | T | 33.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | cis | -160.4 | 156.7 | -12.3 | 13.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1087 | N | 31.8 | Very low | 33.5 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | 73.1 | 136.3 | 153.2 | -65.1 | -21.8 | 0 | 0 | 0 | 122.1 | | |
| 1088 | Q | 34 | Very low | 33.4 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 65.9 | 132.1 | 148.1 | -71.6 | 174 | 10.7 | 0 | 0 | 119.8 | | |
| 1089 | T | 34.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | cis | -153.2 | 167.4 | -20.6 | -18.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1090 | N | 33.1 | Very low | 33.5 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -110.4 | 159.2 | -153.8 | -130.1 | -34.6 | 0 | 0 | 0 | 117.6 | | |
| 1091 | N | 32.4 | Very low | 33.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -28.4 | 161.2 | 170.8 | -76.7 | -74.9 | 0 | 0 | 0 | 121.5 | | |
| 1092 | N | 31.2 | Very low | 33.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -57.5 | 138.5 | 160.9 | -72.9 | -56.9 | 0 | 0 | 0 | 113.2 | | |
| 1093 | N | 31.8 | Very low | 33.5 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | | 174.1 | 159.3 | 118.2 | -90.4 | -51 | 0 | 0 | 0 | 111 | | |
| 1094 | V | 31.9 | Very low | 33.7 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | | | trans | -139.4 | 139.1 | -163 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1095 | C | 30.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | | | cis | -171 | 152.2 | -25.3 | 178 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1096 | K | 31.1 | Very low | 33.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | | | trans | -156.4 | 121.3 | 167.2 | -110.9 | -178.8 | 179.8 | 177.6 | 0 | 115.8 | | |
| 1097 | I | 31.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | | | trans | 66.7 | 100 | 142.8 | -59.1 | 158.6 | 0 | 0 | 0 | 118.2 | | |
| 1098 | N | 37.1 | Very low | 34.2 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | | -169.4 | 160 | 102.8 | -101.6 | -33.7 | 0 | 0 | 0 | 112.3 | | |
| 1099 | N | 32.6 | Very low | 34.3 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | -106.2 | 160.4 | -173.4 | -102.1 | 11 | 0 | 0 | 0 | 110.8 | | |
| 1100 | P | 42.6 | Very low | 34.4 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | | -154.6 | 173.6 | 62.2 | 43.6 | -23.8 | 0 | 0 | 0 | 119.4 | | |
| 1101 | I | 34.7 | Very low | 34.6 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | | | trans | 67.7 | 126 | 152.2 | -73.5 | 158.7 | 0 | 0 | 0 | 116.5 | | |
| 1102 | T | 35.5 | Very low | 34.7 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | cis | -154.8 | 159.9 | 7.5 | 1.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1103 | S | 34.3 | Very low | 35 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | trans | 56 | 130.2 | 151.7 | 54.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1104 | T | 37.8 | Very low | 35 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | | | cis | -149.5 | 141 | -1.2 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1105 | N | 32.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | 27.3 | 147.3 | 136.9 | -50.9 | -3.6 | 0 | 0 | 0 | 122.1 | | |
| 1106 | T | 36.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | | | cis | 177.1 | 165.4 | -24.1 | 36.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1107 | D | 33.5 | Very low | 35.2 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | | | cis | -174.4 | 168.4 | -48.3 | -161.5 | 0.2 | 0 | 0 | 0 | 108.5 | | |
| 1108 | I | 37.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 122 Ų | 122 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | trans | 61 | 134.8 | 150.2 | -79.9 | 156.3 | 0 | 0 | 0 | 120.7 | | |
| 1109 | N | 37 | Very low | 34.8 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | | | cis | -167 | 171.9 | -25.4 | -133.9 | -53.3 | 0 | 0 | 0 | 113.1 | | |
| 1110 | T | 36 | Very low | 35.2 | Very low | 81 Ų | 81 | 122 Ų | 122 | 50% | 0.497 | 71% | 0.709 | S | S | . | * | | | trans | -42.4 | 176.5 | 169.1 | 56.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1111 | I | 38.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 53% | 0.533 | 72% | 0.716 | S | S | . | * | | | cis | -145.3 | -141.8 | 4.6 | -132.5 | 155.3 | 0 | 0 | 0 | 113.8 | K1320 | I1111-K1320 PolarHBondContact O-NZ 3.4Š|
| 1112 | A | 35.1 | Very low | 35.2 | Very low | 61 Ų | 61 | 122.2 Ų | 122.2 | 50% | 0.504 | 71% | 0.71 | S | S | . | * | | | trans | -122.9 | -174.4 | -146 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1113 | T | 36.5 | Very low | 35 | Very low | 131 Ų | 131 | 122.4 Ų | 122.4 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | trans | 77.3 | 102.6 | 153.6 | 43.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 1114 | C | 32.6 | Very low | 34.9 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | | | | 74.5 | 116.7 | 117.5 | -64.9 | 0 | 0 | 0 | 0 | 126.6 | | |
| 1115 | I | 33.9 | Very low | 34.7 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | | | | 86.2 | 108.3 | 123.6 | -63 | 171.4 | 0 | 0 | 0 | 122 | | |
| 1116 | S | 31.6 | Very low | 34.8 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | | | trans | 56.1 | 116.2 | 140.7 | 81.6 | 0 | 0 | 0 | 0 | 125.9 | | |
| 1117 | I | 32 | Very low | 34.6 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 82% | 0.821 | 71% | 0.713 | S | S | * | * | | | | 79.6 | 137 | 121.1 | -66.4 | 172.4 | 0 | 0 | 0 | 121.6 | | |
| 1118 | C | 29.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | | | trans | 91.5 | 92.5 | 157 | -91.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1119 | K | 30.9 | Very low | 34.2 | Very low | 191 Ų | 191 | 123.5 Ų | 123.5 | 83% | 0.83 | 72% | 0.717 | S | S | * | * | | | trans | 69.8 | -178.2 | 140.6 | -52.3 | 178.4 | -177.7 | 175 | 0 | 115.6 | | |
| 1120 | P | 40.7 | Very low | 33.9 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | | | | -124.3 | 179.5 | -83.2 | 39.4 | -25.3 | 0 | 0 | 0 | 116.1 | | |
| 1121 | L | 32.3 | Very low | 33.8 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | | | trans | -37.9 | 168.8 | 168 | -99.7 | 71 | 0 | 0 | 0 | 117.3 | | |
| 1122 | P | 44.3 | Very low | 33.5 | Very low | 98 Ų | 98 | 125 Ų | 125 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | cis | -140.5 | 171.8 | 7.3 | 30 | -6.9 | 0 | 0 | 0 | 117.6 | | |
| 1123 | T | 32.1 | Very low | 33.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | | 168.5 | 138.6 | 106.7 | 36.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1124 | L | 32.6 | Very low | 33.4 | Very low | 170 Ų | 170 | 131 Ų | 131 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | | | trans | 53.4 | 137.2 | 152.7 | -62.6 | 161.8 | 0 | 0 | 0 | 119.4 | | |
| 1125 | A | 32.7 | Very low | 33.4 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | cis | -157.3 | 150.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1126 | I | 34.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 80% | 0.795 | 75% | 0.752 | S | S | * | * | | | | 52.7 | 116.9 | 63.9 | -56.5 | 178.7 | 0 | 0 | 0 | 110.4 | | |
| 1127 | N | 32.4 | Very low | 33.4 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | cis | -146.6 | -176.7 | 22.5 | -138.9 | 4.1 | 0 | 0 | 0 | 114.8 | | |
| 1128 | T | 33.9 | Very low | 33.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | trans | -78.9 | 166.7 | -175.5 | 48.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1129 | T | 30.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -22.7 | 160.4 | 159.8 | 56.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1130 | T | 30.7 | Very low | 33.2 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | | | cis | -163.2 | 179.7 | 44.9 | -34 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1131 | T | 33.3 | Very low | 33.1 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 62.8 | 101.2 | 164.9 | 57.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1132 | A | 32.4 | Very low | 33.1 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | | -179.8 | 132.5 | 100.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1133 | Y | 33.5 | Very low | 32.6 | Very low | 227 Ų | 227 | 135.9 Ų | 135.9 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | 41.5 | 108.6 | 153.5 | -78.9 | -96.3 | 0 | 0 | 0 | 123 | | |
| 1134 | S | 34 | Very low | 32.7 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | | 89.7 | 125.4 | 113.6 | -157.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1135 | N | 33.9 | Very low | 32.7 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | trans | 64.4 | 103.5 | 143.8 | -66.1 | 4.6 | 0 | 0 | 0 | 122.1 | | |
| 1136 | N | 32.5 | Very low | 32.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | | 70.4 | 141.1 | 120.9 | -59 | -10.7 | 0 | 0 | 0 | 122 | | |
| 1137 | N | 31.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 68.1 | 113.4 | 154.4 | -64.9 | -10.8 | 0 | 0 | 0 | 120.4 | | |
| 1138 | S | 29.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | 77.6 | 150.7 | 137.6 | 77.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1139 | N | 31.5 | Very low | 32.8 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | | | trans | 60.3 | 84.5 | 152.6 | -59.7 | -18.2 | 0 | 0 | 0 | 119.5 | | |
| 1140 | S | 28.3 | Very low | 32.8 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -57.6 | 155.7 | 135.1 | 177.1 | 0 | 0 | 0 | 0 | 111 | | |
| 1141 | P | 38.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -130.2 | 168.4 | -23.4 | 33.1 | -16.8 | 0 | 0 | 0 | 113.5 | | |
| 1142 | R | 31.6 | Very low | 33.2 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | | | trans | -153.8 | 109.9 | 148.7 | -120.9 | 176.1 | -171.8 | -172.4 | 4.4 | 114 | | |
| 1143 | K | 33.1 | Very low | 33.2 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | | | trans | -109.3 | 148.2 | 139.3 | -108.4 | -174.6 | 177.5 | -178.8 | 0 | 107.9 | | |
| 1144 | T | 33.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 51.3 | 92.7 | 168 | 49.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1145 | L | 33.5 | Very low | 33.3 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | | | | 64.9 | 105.6 | 127.8 | -62.1 | 166.3 | 0 | 0 | 0 | 119.7 | | |
| 1146 | T | 33.4 | Very low | 33.3 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | | | | -1.4 | 129.5 | 117.6 | 45.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1147 | L | 33.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 125 Ų | 125 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | | | cis | -143 | 161.7 | 21.6 | -91.5 | 136.7 | 0 | 0 | 0 | 113.3 | | |
| 1148 | K | 30.2 | Very low | 33.5 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | | | trans | -106.9 | 169 | 167.9 | -98.6 | -178.4 | 179.8 | 178 | 0 | 108.4 | | |
| 1149 | P | 38.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | | | cis | -139 | 158 | 26 | 39.4 | -20 | 0 | 0 | 0 | 119.5 | | |
| 1150 | S | 31.2 | Very low | 33.9 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | | | trans | -5 | 137.9 | 145.2 | -37.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1151 | I | 35.8 | Very low | 34.2 | Very low | 142 Ų | 142 | 119.8 Ų | 119.8 | 73% | 0.728 | 69% | 0.693 | S | S | * | * | | | | 177.5 | 141.8 | 110 | -92.9 | 158.9 | 0 | 0 | 0 | 112.2 | | |
| 1152 | T | 35.5 | Very low | 34.1 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | | | trans | 35.3 | 126.4 | 169.7 | 45.6 | 0 | 0 | 0 | 0 | 121.4 | C1061 T1154 | C1061-T1152 HydrophobicContact CB-CG2 3.99Å; T1152-T1154 PolarHBondContact O-N 3.4Å |
| 1153 | T | 32.2 | Very low | 34.2 | Very low | 84 Ų | 84 | 116.6 Ų | 116.6 | 52% | 0.515 | 70% | 0.699 | S | S | . | * | | | trans | -48.9 | 126.1 | 143 | 31.1 | 0 | 0 | 0 | 0 | 111.7 | S1060 | S1060-T1153 WeakPolarHBondContact CB-O 3.16Å; S1060-T1153 PolarHBondContact OG-OG1 2.73Å |
| 1154 | T | 35.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 52% | 0.515 | 70% | 0.7 | S | S | . | * | | | trans | -169.3 | 123.2 | 135.7 | -89.3 | 0 | 0 | 0 | 0 | 108.3 | I1058 N1059 S1060 T1152 | I1058-T1154 HydrophobicContact CG2-CG2 3.77Å; N1059-T1154 VanDerWaalsContact CB-OG1 3.29Å; N1059-T1154 WeakPolarHBondContact CB-OG1 3.35Å; N1059-T1154 PolarHBondContact O-OG1 2.94Å; S1060-T1154 PolarHBondContact O-OG1 3.09Å; T1152-T1154 PolarHBondContact O-N 3.4Å |
| 1155 | T | 35.7 | Very low | 33.9 | Very low | 81 Ų | 81 | 119.1 Ų | 119.1 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | | | trans | -85.4 | 171 | -171.6 | 163.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1156 | A | 32.4 | Very low | 33.8 | Very low | 60 Ų | 60 | 124 Ų | 124 | 50% | 0.496 | 71% | 0.708 | S | S | . | * | | | cis | -142.6 | 158.1 | 15.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1058 | I1058-A1156 HydrophobicContact CD1-CB 4.07Š|
| 1157 | I | 35.1 | Very low | 34 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 85% | 0.851 | 72% | 0.718 | S | S | * | * | | | | -178.7 | 144.1 | 120.6 | -93.7 | 156.3 | 0 | 0 | 0 | 109.6 | | |
| 1158 | A | 33.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 69.8 | 151.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1159 | A | 34.6 | Very low | 33.7 | Very low | 90 Ų | 90 | 121 Ų | 121 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | | | trans | 72.2 | 109.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 1160 | S | 34.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | | | trans | 80 | 125.1 | 139.9 | 67.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1161 | S | 35.8 | Very low | 33.5 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | 28.2 | 107.6 | 148.9 | 53.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1162 | S | 35.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | cis | 91.8 | 112.1 | 49.3 | 73.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1163 | T | 32.8 | Very low | 33.1 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 87% | 0.871 | 74% | 0.737 | S | S | * | * | | | trans | -128 | 100.3 | 153.8 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1164 | R | 32.3 | Very low | 33.1 | Very low | 230 Ų | 230 | 130.5 Ų | 130.5 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | | | trans | -171.4 | 138.4 | 156.3 | -112.9 | 169.2 | -175.2 | -174 | 1.5 | 113.2 | | |
| 1165 | N | 29.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | 14.1 | 133.1 | 143.6 | -47.7 | -5.7 | 0 | 0 | 0 | 119.2 | | |
| 1166 | R | 31.4 | Very low | 32.6 | Very low | 249 Ų | 249 | 137.6 Ų | 137.6 | 94% | 0.94 | 77% | 0.77 | S | S | * | * | | | | -164.3 | 166.6 | 106.6 | -103.3 | 170.5 | 177.8 | -168.6 | -1.5 | 112.2 | | |
| 1167 | P | 36.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -114.3 | -177.1 | -158.3 | 44.3 | -38.3 | 0 | 0 | 0 | 115.1 | | |
| 1168 | M | 28.3 | Very low | 32.5 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | | | trans | 68.8 | 136.7 | 163.3 | -65.4 | -68.3 | -163 | 0 | 0 | 116.3 | | |
| 1169 | A | 31.1 | Very low | 32.4 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | cis | -164.4 | -175.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1170 | T | 31.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | 104.1 | 87.2 | 145.6 | -49.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1171 | I | 32.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | trans | 82.7 | 114.5 | 131.5 | -65.7 | 178.9 | 0 | 0 | 0 | 121.4 | | |
| 1172 | F | 31.7 | Very low | 32.5 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | 34.8 | 149 | 138.7 | -68 | -102 | 0 | 0 | 0 | 123.3 | | |
| 1173 | G | 31.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 145.5 Ų | 145.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -178.8 | 26 | 166 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1174 | Q | 31.4 | Very low | 32.4 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -39.1 | 136.2 | -175.1 | -81 | -168.6 | 9.5 | 0 | 0 | 119.7 | | |
| 1175 | V | 31.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 61% | 0.612 | 76% | 0.76 | S | S | * | * | | | | 84 | 114.9 | 126.7 | 171.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1176 | R | 31 | Very low | 32.7 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 81.9 | 121.4 | 142.6 | -79.3 | 170.5 | -168.4 | 159.9 | 2 | 124 | | |
| 1177 | N | 32.6 | Very low | 32.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | | | | 85.5 | 113.7 | 121.9 | -75.2 | -16.4 | 0 | 0 | 0 | 123.8 | | |
| 1178 | R | 32.8 | Very low | 32.7 | Very low | 237 Ų | 237 | 138 Ų | 138 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | | | | 78.7 | 128.4 | 122 | -67 | 178 | 176.6 | -165.8 | -3.8 | 121.7 | | |
| 1179 | G | 31.3 | Very low | 33 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | | | trans | 147.2 | 104.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1180 | T | 38.2 | Very low | 33.1 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | cis | 62.4 | 122.7 | 44.5 | 76.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1181 | T | 36.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | cis | -175.2 | 158.7 | -9.4 | 25.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1182 | S | 32.8 | Very low | 33.4 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | 95.9 | 134.9 | 134.7 | -115.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1183 | V | 34.2 | Very low | 33.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | 61.6 | 148.4 | 156 | -87.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1184 | K | 31.9 | Very low | 33.7 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 68% | 0.683 | 74% | 0.738 | S | S | * | * | | | cis | -155.4 | 149.5 | 22.4 | -131.2 | 170.7 | -169.9 | -175.9 | 0 | 115 | | |
| 1185 | Y | 34.1 | Very low | 33.9 | Very low | 196 Ų | 196 | 133.1 Ų | 133.1 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | 61.1 | 106.5 | 153.4 | -63.4 | -45.6 | 0 | 0 | 0 | 126.1 | | |
| 1186 | S | 33.6 | Very low | 33.9 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | | | | 85.9 | 106.7 | 108.1 | -126.5 | 0 | 0 | 0 | 0 | 125.3 | | |
| 1187 | T | 34.2 | Very low | 34 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.693 | 73% | 0.733 | S | S | * | * | | | | 51.3 | 118 | 125.4 | 59.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1188 | N | 33 | Very low | 34.1 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | | | | -172.5 | 159 | 98.4 | -105.4 | -9.4 | 0 | 0 | 0 | 117.5 | | |
| 1189 | T | 36.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | -32.5 | 165.5 | 166.9 | 53.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1190 | G | 32 | Very low | 34.1 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | cis | 154 | 139.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1191 | V | 36.7 | Very low | 33.8 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | 25.8 | 140.6 | 150.7 | -168.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1192 | N | 33.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | trans | -147.5 | 151.1 | 155.6 | -95.3 | -26.7 | 0 | 0 | 0 | 110.7 | | |
| 1193 | Q | 36.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | cis | -172.2 | 161 | -26.4 | -124.5 | -165 | 90.5 | 0 | 0 | 108.1 | | |
| 1194 | L | 34.1 | Very low | 33.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 65% | 0.654 | 73% | 0.733 | S | S | * | * | | | cis | -128.3 | -80 | -11.2 | -163.7 | -172.9 | 0 | 0 | 0 | 110.5 | | |
| 1195 | T | 34 | Very low | 33.1 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | cis | -165.1 | 138.8 | -9.7 | 9.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1196 | S | 32 | Very low | 32.9 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 74% | 0.74 | S | S | * | * | | | cis | -169.1 | 41.4 | -21.5 | 49.7 | 0 | 0 | 0 | 0 | 115 | | |
| 1197 | T | 33.1 | Very low | 32.9 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | | | trans | -120.5 | 118 | 162.3 | 51.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1198 | I | 34.2 | Very low | 32.5 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | | 64.8 | 111.8 | 60.8 | -55.6 | 168 | 0 | 0 | 0 | 108.5 | | |
| 1199 | N | 33.7 | Very low | 32.3 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | cis | -149.8 | 154.4 | 38.3 | -129.9 | -17.3 | 0 | 0 | 0 | 114.9 | | |
| 1200 | N | 30.9 | Very low | 31.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | trans | 49.3 | 125.8 | 153.2 | -67.1 | -17.6 | 0 | 0 | 0 | 124 | | |
| 1201 | T | 32.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 135 Ų | 135 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | 48.2 | 127 | 140.1 | 60.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1202 | S | 31.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | cis | -166.4 | -178.3 | -0.2 | 63.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1203 | Y | 30.7 | Very low | 32.3 | Very low | 213 Ų | 213 | 136.4 Ų | 136.4 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | | | cis | -146.1 | -166.8 | 3.5 | -168.8 | -117.8 | 0 | 0 | 0 | 109.4 | | |
| 1204 | V | 31.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 138 Ų | 138 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | | | trans | -130.4 | 149.5 | -175.9 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | S1206 | V1204-S1206 PolarHBondContact O-N 2.81Š|
| 1205 | N | 26.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | trans | -57.1 | 124.5 | 171.4 | -86.7 | -29.9 | 0 | 0 | 0 | 112.6 | | |
| 1206 | S | 30 | Very low | 31.9 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | -168 | 133.5 | 144.2 | -87.5 | 0 | 0 | 0 | 0 | 113 | V1204 | V1204-S1206 PolarHBondContact O-N 2.81Š|
| 1207 | V | 33.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | trans | 60.5 | 123.5 | 155.5 | -173.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1208 | E | 26.1 | Very low | 31.7 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | -1.5 | 120.2 | 159.3 | -50.9 | -177.1 | 133.3 | 0 | 0 | 119.5 | | |
| 1209 | Y | 28.9 | Very low | 31.5 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | | -162.5 | 164.6 | 90 | -127.3 | -104.7 | 0 | 0 | 0 | 112.8 | | |
| 1210 | S | 28.7 | Very low | 31.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 35.5 | 110 | 161.9 | 54.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1211 | S | 35.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | | -170 | 159.2 | 65.2 | -74 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1212 | S | 38.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 145.4 Ų | 145.4 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | 9.4 | 144.3 | 146.4 | -62.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1213 | R | 36.7 | Very low | 31.3 | Very low | 210 Ų | 210 | 145.6 Ų | 145.6 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | cis | -156.6 | 131.6 | -7.7 | -103.1 | 171.3 | -160.1 | -162.1 | 6.5 | 106.4 | | |
| 1214 | K | 33.2 | Very low | 31.3 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | | 60.1 | 105.3 | 87.4 | -75.6 | -171 | 176.9 | 178.9 | 0 | 113.7 | | |
| 1215 | T | 33.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | | 67.5 | 118.7 | 81.9 | 62.8 | 0 | 0 | 0 | 0 | 113 | | |
| 1216 | S | 29.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | | 80.7 | 136.2 | 64.4 | 93.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1217 | V | 30.6 | Very low | 31.5 | Very low | 141 Ų | 141 | 141 Ų | 141 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | 60.4 | 144 | 147.9 | -177.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1218 | K | 30.9 | Very low | 31.4 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 141.4 | -179.5 | -66.7 | -176.5 | 173.3 | -173.9 | 0 | 113.7 | | |
| 1219 | S | 30.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 51.6 | 147.7 | 136.6 | 76 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1220 | K | 31.1 | Very low | 31.5 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | | | cis | -147.9 | 170.1 | 23.2 | -59.4 | 171.9 | 174.7 | -178.9 | 0 | 110 | | |
| 1221 | Y | 29.6 | Very low | 31.5 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | | | | -146.2 | 170 | 125.9 | -100.9 | -72.9 | 0 | 0 | 0 | 109.5 | | |
| 1222 | A | 31.3 | Very low | 31.4 | Very low | 83 Ų | 83 | 144 Ų | 144 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | trans | -151.7 | 155.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1223 | S | 31.6 | Very low | 31 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 71.8 | 143.1 | 176.2 | -51.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1224 | T | 30.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | cis | -153.8 | -179.6 | 10.4 | -16.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1225 | V | 30.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 84 | 99.2 | 177 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1226 | I | 31.4 | Very low | 30.2 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | | 81 | 90.5 | 55.9 | -59.5 | 175.3 | 0 | 0 | 0 | 112.6 | | |
| 1227 | T | 31.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | 45.7 | 115.4 | 147.8 | 62.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1228 | N | 30.7 | Very low | 30.4 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | | -124.5 | 97.7 | 126.8 | -125.8 | -2.3 | 0 | 0 | 0 | 109.5 | | |
| 1229 | N | 28.8 | Very low | 30.6 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -168.2 | 87.3 | 138.2 | -112.1 | 10.3 | 0 | 0 | 0 | 108.3 | | |
| 1230 | W | 27.4 | Very low | 30.6 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 75% | 0.746 | 74% | 0.737 | S | S | * | * | | | trans | -67.5 | 131.1 | 148.3 | -77.4 | 13 | 0 | 0 | 0 | 107.5 | N1232 | W1230-N1232 VanDerWaalsContact CE3-ND2 3.31Š|
| 1231 | N | 30.1 | Very low | 30.9 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | | | trans | -117.6 | 116.6 | 139.8 | -103 | -13.8 | 0 | 0 | 0 | 106.1 | | |
| 1232 | N | 31.8 | Very low | 31 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | | | trans | -76.4 | 169.4 | 178.6 | -87.5 | -34.3 | 0 | 0 | 0 | 111 | W1230 T1234 | W1230-N1232 VanDerWaalsContact CE3-ND2 3.31Å; N1232-T1234 PolarHBondContact O-N 2.85Å |
| 1233 | H | 30.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 82% | 0.815 | 73% | 0.726 | S | S | * | * | | | trans | -53.6 | 125.9 | 165 | -67.1 | -93.3 | 0 | 0 | 0 | 111.9 | | |
| 1234 | T | 29.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | | | trans | -134.7 | 111.2 | 137.6 | 47.8 | 0 | 0 | 0 | 0 | 107.6 | N1232 | N1232-T1234 PolarHBondContact O-N 2.85Š|
| 1235 | C | 29.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 130 Ų | 130 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | | | trans | -83.2 | 143.4 | 163.2 | -74.5 | 0 | 0 | 0 | 0 | 109 | | |
| 1236 | D | 27.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | | | trans | 51.7 | 124.8 | 148.4 | -46.9 | -28.2 | 0 | 0 | 0 | 119.8 | | |
| 1237 | T | 33 | Very low | 32.3 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | | -153.7 | 112.2 | 116.9 | 3.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1238 | L | 31.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 57% | 0.565 | 73% | 0.732 | S | S | * | * | | | trans | 45.6 | 113.2 | 139.1 | -50.9 | 169 | 0 | 0 | 0 | 118.7 | P1441 | L1238-P1441 HydrophobicContact CB-CG 4.44Å; L1238-P1441 HydrophobicContact CD2-CB 3.67Å; L1238-P1441 HydrophobicContact CD2-CG 3.79Å |
| 1239 | N | 33.4 | Very low | 32.4 | Very low | 146 Ų | 146 | 130.4 Ų | 130.4 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | | | | -168.1 | 158 | 88.9 | -99 | -52 | 0 | 0 | 0 | 112.7 | P1441 | N1239-P1441 WeakPolarHBondContact OD1-CG 3.26Š|
| 1240 | S | 30.3 | Very low | 32.7 | Very low | 43 Ų | 43 | 128.2 Ų | 128.2 | 30% | 0.301 | 72% | 0.72 | S | S | . | * | | | trans | -130.1 | 144.8 | -174 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | N1440 P1441 | S1240-N1440 PolarHBondContact OG-ND2 2.74Å; S1240-P1441 WeakPolarHBondContact OG-CA 3.31Å |
| 1241 | S | 38 | Very low | 33.1 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | | | trans | -146.1 | 126 | 150.4 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1242 | K | 31.5 | Very low | 33 | Very low | 169 Ų | 169 | 126.1 Ų | 126.1 | 74% | 0.735 | 72% | 0.715 | S | S | * | * | | | trans | -106.4 | 165.5 | 171.2 | -114.7 | 172.2 | -175.7 | 175.1 | 0 | 106.6 | | |
| 1243 | P | 43.4 | Very low | 33.1 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 59% | 0.591 | 70% | 0.702 | S | S | * | * | | | | -159.2 | 172.4 | 62.5 | 44 | -23.2 | 0 | 0 | 0 | 119.5 | | |
| 1244 | I | 33.1 | Very low | 33.2 | Very low | 152 Ų | 152 | 119 Ų | 119 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | | | trans | 66.8 | 141.6 | 151.1 | -69.5 | 155.1 | 0 | 0 | 0 | 117.4 | | |
| 1245 | G | 31.9 | Very low | 33.3 | Very low | 66 Ų | 66 | 116.9 Ų | 116.9 | 68% | 0.68 | 67% | 0.666 | S | S | * | * | | | cis | -146.7 | -172.5 | 12.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1246 | M | 34 | Very low | 33.4 | Very low | 174 Ų | 174 | 122.2 Ų | 122.2 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | | | trans | -147.7 | -177.4 | -167.4 | -67.3 | 170.7 | 56.2 | 0 | 0 | 108.4 | | |
| 1247 | I | 39.2 | Very low | 33.8 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | | | cis | -152.9 | 129.2 | 17.1 | -32.9 | 157.3 | 0 | 0 | 0 | 110.9 | | |
| 1248 | N | 32.2 | Very low | 33.7 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | | | | 179.2 | 134.8 | 128.3 | -95.8 | -25.5 | 0 | 0 | 0 | 110.1 | | |
| 1249 | A | 33.8 | Very low | 33.7 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | | | cis | 75.4 | 135.9 | 23.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1250 | S | 34.8 | Very low | 33.5 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | | | cis | -122.9 | -170 | -2.8 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1251 | Q | 34.7 | Very low | 33.4 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | | | cis | -151.3 | 158.8 | 10.8 | -136.2 | 162.5 | 113.3 | 0 | 0 | 106.3 | | |
| 1252 | M | 29.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | cis | 67.9 | 146.7 | 34 | -73.9 | -166.9 | 72.5 | 0 | 0 | 116.1 | | |
| 1253 | N | 33 | Very low | 33.4 | Very low | 64 Ų | 64 | 135.2 Ų | 135.2 | 34% | 0.342 | 72% | 0.718 | S | S | . | * | | | cis | -175.4 | 149 | -28.2 | -174.6 | 18.5 | 0 | 0 | 0 | 107.7 | F1371 | N1253-F1371 VanDerWaalsContact C-CE1 3.4Å; N1253-F1371 WeakPolarHBondContact O-CE1 3.29Å; N1253-F1371 WeakPolarHBondContact O-CE2 3.04Å; N1253-F1371 WeakPolarHBondContact O-CZ 3.19Å |
| 1254 | N | 33.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 41% | 0.406 | 73% | 0.73 | S | S | . | * | | | trans | 149.2 | 107.4 | 135.7 | -78.9 | -45.4 | 0 | 0 | 0 | 117.8 | F1371 | N1254-F1371 HydrophobicContact CB-CD2 3.82Å; N1254-F1371 HydrophobicContact CB-CE2 3.95Å; N1254-F1371 HydrophobicContact CB-CG 4.31Å; N1254-F1371 WeakPolarHBondContact O-CB 2.93Å; N1254-F1371 WeakPolarHBondContact O-CD2 3.16Å; N1254-F1371 VanDerWaalsContact O-CG 3.26Å; N1254-F1371 WeakPolarHBondContact O-CG 3.38Å |
| 1255 | N | 31.8 | Very low | 32.6 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 51% | 0.508 | 73% | 0.729 | S | S | . | * | | | | 66.1 | 162.4 | 126.4 | -69.2 | -59.4 | 0 | 0 | 0 | 120.1 | | |
| 1256 | R | 31.9 | Very low | 32.5 | Very low | 213 Ų | 213 | 146.2 Ų | 146.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | -160.8 | 165.4 | 11.9 | -138.2 | 165.6 | -168.7 | 170.7 | 3.1 | 112.9 | | |
| 1257 | K | 34.6 | Very low | 32.2 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | | | trans | 65.5 | 122 | 160.6 | -67.4 | -174.5 | 176.9 | -178.7 | 0 | 118.9 | | |
| 1258 | K | 31 | Very low | 31.7 | Very low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -102.6 | 146.1 | 150.6 | -69.8 | -176.1 | 176.6 | -176.3 | 0 | 109.6 | | |
| 1259 | T | 31.1 | Very low | 31.8 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | | | trans | -116 | 147.3 | 143.7 | 42.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1260 | N | 31 | Very low | 31.6 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | -86 | 130.3 | -177.5 | -63.6 | -28.3 | 0 | 0 | 0 | 110.4 | | |
| 1261 | D | 27.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | | | trans | -136.9 | 121.6 | 152.9 | -93.1 | -47.4 | 0 | 0 | 0 | 108 | | |
| 1262 | L | 34.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 80% | 0.801 | 74% | 0.737 | S | S | * | * | | | trans | -150.2 | 135 | 171.6 | -70.2 | 176.4 | 0 | 0 | 0 | 106.2 | | |
| 1263 | D | 33.9 | Very low | 31.4 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -146.2 | 138.1 | 3.4 | -108 | -47.4 | 0 | 0 | 0 | 110 | | |
| 1264 | N | 28.7 | Very low | 31.2 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | -161.5 | 89.1 | 159.8 | -144.1 | -4.4 | 0 | 0 | 0 | 113.1 | | |
| 1265 | I | 31.5 | Very low | 31 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -162.5 | 138.7 | 153.4 | -100.2 | 146 | 0 | 0 | 0 | 108.2 | | |
| 1266 | Y | 29 | Very low | 30.8 | Very low | 236 Ų | 236 | 156.6 Ų | 156.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -143.6 | 80.9 | 168.2 | -139.8 | -61.5 | 0 | 0 | 0 | 110.5 | | |
| 1267 | T | 29.1 | Very low | 30.9 | Very low | 97 Ų | 97 | 153.3 Ų | 153.3 | 60% | 0.595 | 79% | 0.792 | S | S | * | * | | | trans | -146.5 | 122 | 175.6 | 24.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1268 | F | 28.2 | Very low | 31.3 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | trans | 56.4 | 122.6 | 166.7 | -55.7 | -73.6 | 0 | 0 | 0 | 119.5 | | |
| 1269 | P | 35.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -113.2 | 117.1 | 144.1 | 33.4 | -22.1 | 0 | 0 | 0 | 110.1 | | |
| 1270 | D | 28.2 | Very low | 31.2 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -86.5 | 125.3 | 156.8 | -80.9 | -48.8 | 0 | 0 | 0 | 108.4 | | |
| 1271 | E | 31.2 | Very low | 31.1 | Very low | 143 Ų | 143 | 144 Ų | 144 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | | | trans | -104.3 | 97 | 171.4 | -68.1 | -178 | 116.7 | 0 | 0 | 108.3 | R543 P1273 | R543-E1271 IonicContact CZ-OE2 3.01Å; R543-E1271 IonicContact NH1-OE2 3.29Å; R543-E1271 PolarHBondContact NH1-OE2 2.66Å; R543-E1271 IonicContact NH2-OE2 3.27Å; R543-E1271 PolarHBondContact NH2-OE2 3.41Å; E1271-P1273 WeakPolarHBondContact O-CD 3.01Å |
| 1272 | S | 28.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -92.5 | 118.3 | 160.7 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1273 | P | 36.8 | Very low | 31.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -115.8 | 99 | 175 | 34.7 | -20.8 | 0 | 0 | 0 | 111.3 | E1271 | E1271-P1273 WeakPolarHBondContact O-CD 3.01Š|
| 1274 | T | 27.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -93.5 | 104 | 161.6 | -40.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1275 | Y | 30.1 | Very low | 31.2 | Very low | 232 Ų | 232 | 137.7 Ų | 137.7 | 91% | 0.91 | 76% | 0.764 | S | S | * | * | | | trans | -161 | 145.9 | 152 | -109.2 | -69.5 | 0 | 0 | 0 | 110.8 | | |
| 1276 | T | 28.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | -97.9 | 145.1 | -170.2 | 25 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1277 | I | 32.7 | Very low | 31.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 55.6 | 124.1 | 131.7 | -62.2 | 171.4 | 0 | 0 | 0 | 116.4 | | |
| 1278 | P | 43 | Very low | 31.6 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | -152.2 | 147.9 | 79 | 37.2 | -15.8 | 0 | 0 | 0 | 121.5 | | |
| 1279 | N | 31.8 | Very low | 31.8 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | 90 | 136.2 | 130.3 | -74 | 7.9 | 0 | 0 | 0 | 125.3 | | |
| 1280 | C | 28.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | trans | 65.9 | 124.2 | 153.4 | -63.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1281 | S | 29.6 | Very low | 31.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | cis | -149.6 | -176.9 | 4.3 | -62.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1282 | S | 33 | Very low | 32 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | | | cis | -152.5 | -148.3 | 15.8 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1283 | T | 30.5 | Very low | 32.2 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 73% | 0.73 | 71% | 0.714 | S | S | * | * | | | trans | -142.9 | -178.5 | -172.1 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1284 | I | 32 | Very low | 32 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 81% | 0.81 | 70% | 0.701 | S | S | * | * | | | trans | 86.4 | 134.8 | 165.5 | -54.6 | 170.5 | 0 | 0 | 0 | 116.3 | | |
| 1285 | S | 30.9 | Very low | 32.2 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | | | cis | -169.4 | 175.2 | -29.2 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1286 | N | 32.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | | | trans | 103.9 | 124.5 | 145.1 | -70.7 | 0.5 | 0 | 0 | 0 | 123.6 | | |
| 1287 | T | 34 | Very low | 32.4 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | | | trans | 71.5 | 101.3 | 142.4 | 50.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1288 | C | 32.3 | Very low | 32.5 | Very low | 113 Ų | 113 | 112 Ų | 112 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | | | | 58.1 | 146.6 | 125.6 | -54.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1289 | H | 31.7 | Very low | 31.9 | Very low | 163 Ų | 163 | 113.5 Ų | 113.5 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | | | cis | -151.5 | 155.6 | 14.7 | -133.7 | -53.4 | 0 | 0 | 0 | 111.7 | | |
| 1290 | L | 32.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 111.6 Ų | 111.6 | 69% | 0.686 | 67% | 0.666 | S | S | * | * | | | trans | 62.8 | 115.8 | 155.7 | -79.1 | 156 | 0 | 0 | 0 | 119.5 | | |
| 1291 | D | 30.7 | Very low | 32.4 | Very low | 100 Ų | 100 | 112.8 Ų | 112.8 | 54% | 0.535 | 66% | 0.664 | S | S | . | * | | | | 50 | 149.3 | 116.5 | -80.7 | 50.6 | 0 | 0 | 0 | 121.7 | R1327 | D1291-R1327 IonicContact OD1-NH2 2.65Å; D1291-R1327 PolarHBondContact OD1-NH2 2.79Å; D1291-R1327 IonicContact OD2-CZ 2.7Å; D1291-R1327 VanDerWaalsContact OD2-CZ 3.29Å; D1291-R1327 IonicContact OD2-NH1 3.02Å; D1291-R1327 PolarHBondContact OD2-NH1 3.4Å; D1291-R1327 IonicContact OD2-NH2 3.25Å; D1291-R1327 PolarHBondContact OD2-NH2 3.01Å |
| 1292 | T | 34.5 | Very low | 32.5 | Very low | 81 Ų | 81 | 113.5 Ų | 113.5 | 50% | 0.497 | 66% | 0.663 | S | S | . | * | | | cis | 173.7 | 174.6 | -19.9 | 33.5 | 0 | 0 | 0 | 0 | 104.8 | R1327 | T1292-R1327 VanDerWaalsContact CG2-NH2 3.32Š|
| 1293 | V | 33 | Very low | 32.6 | Very low | 60 Ų | 60 | 113.1 Ų | 113.1 | 36% | 0.364 | 66% | 0.661 | S | S | . | * | | | | -147.3 | 137.7 | -70.8 | -95.9 | 0 | 0 | 0 | 0 | 107.3 | L1325 Q1326 R1327 | V1293-L1325 WeakPolarHBondContact CB-O 3.28Å; V1293-L1325 WeakPolarHBondContact CG1-O 3.13Å; V1293-Q1326 CarbonylContact C-O 3.11Å; V1293-Q1326 HydrophobicContact CB-CB 3.95Å; V1293-Q1326 HydrophobicContact CG1-CB 4.1Å; V1293-Q1326 HydrophobicContact CG2-CB 3.77Å; V1293-Q1326 WeakPolarHBondContact CG2-O 3.41Å; V1293-R1327 HydrophobicContact CG2-CB 3.49Å; V1293-R1327 VanDerWaalsContact CG2-CB 3.49Å; V1293-R1327 HydrophobicContact CG2-CG 3.57Å |
| 1294 | S | 32.2 | Very low | 32.8 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 51% | 0.51 | 66% | 0.662 | S | S | . | * | | | trans | 170.5 | 163.4 | 153.8 | -112 | 0 | 0 | 0 | 0 | 115.5 | Y1324 L1325 Q1326 | S1294-Y1324 PolarHBondContact N-O 3.48Å; S1294-Y1324 CarbonylContact O-C 3.58Å; S1294-Y1324 VanDerWaalsContact O-CA 3.29Å; S1294-Y1324 WeakPolarHBondContact O-CA 3.29Å; S1294-Y1324 PolarHBondContact O-N 2.97Å; S1294-L1325 PolarHBondContact O-N 3.12Å; S1294-L1325 VanDerWaalsContact O-N 3.08Å; S1294-Q1326 VanDerWaalsContact CA-O 3.31Å; S1294-Q1326 WeakPolarHBondContact CA-O 3.46Å; S1294-Q1326 WeakPolarHBondContact CB-O 3.28Å; S1294-Q1326 PolarHBondContact N-O 3.27Å; S1294-Q1326 PolarHBondContact OG-O 3.23Å |
| 1295 | S | 31.7 | Very low | 32.9 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 70% | 0.699 | 66% | 0.659 | S | S | * | * | | | trans | -75.6 | 145.5 | -172.4 | 51.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1296 | S | 31.6 | Very low | 33.1 | Very low | 75 Ų | 75 | 113.5 Ų | 113.5 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | | | trans | -146.7 | 129.4 | 165 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1297 | S | 31.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 115.9 Ų | 115.9 | 87% | 0.867 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -111.5 | 143.1 | 145.1 | -75.7 | 0 | 0 | 0 | 0 | 107 | | |
| 1298 | P | 34 | Very low | 33.3 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 76% | 0.76 | 66% | 0.663 | S | S | * | * | | | cis | -115.2 | 149.6 | -38 | 36.3 | -25 | 0 | 0 | 0 | 111.1 | | |
| 1299 | R | 31.6 | Very low | 33.5 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 54% | 0.54 | 66% | 0.657 | S | S | . | * | | | trans | -52.8 | 140.3 | 165.5 | -112.6 | -163.8 | -155.6 | 175.8 | 1.8 | 109.7 | K1320 Q1321 | R1299-K1320 WeakPolarHBondContact CD-O 3.29Å; R1299-K1320 PolarHBondContact NH1-O 3.4Å; R1299-Q1321 VanDerWaalsContact CD-O 3.28Å; R1299-Q1321 WeakPolarHBondContact CD-O 3.15Å; R1299-Q1321 PolarHBondContact NE-O 2.99Å; R1299-Q1321 PolarHBondContact NH1-O 2.85Å; R1299-Q1321 VanDerWaalsContact NH1-O 3.15Å |
| 1300 | I | 35.2 | Very low | 33.4 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 51% | 0.513 | 66% | 0.661 | S | S | . | * | | | cis | -141.8 | 131.4 | 34.8 | -66.8 | -175.5 | 0 | 0 | 0 | 113.1 | V1319 | I1300-V1319 VanDerWaalsContact CD1-C 3.46Å; I1300-V1319 VanDerWaalsContact CD1-O 3.28Å; I1300-V1319 WeakPolarHBondContact CD1-O 3.41Å |
| 1301 | I | 34.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | | | trans | 23.8 | 146 | 131.4 | -52.5 | 175 | 0 | 0 | 0 | 120.7 | | |
| 1302 | T | 32.4 | Very low | 33.3 | Very low | 128 Ų | 128 | 118 Ų | 118 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | | | trans | -101.9 | -164.1 | -174.3 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1303 | S | 35.2 | Very low | 33.1 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | | | trans | 89.1 | 139.9 | 168.1 | 78 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1304 | L | 35.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | cis | -162.9 | 153.7 | -26.5 | -117.9 | 149.5 | 0 | 0 | 0 | 109.6 | | |
| 1305 | D | 33.4 | Very low | 32.8 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | trans | 56.7 | 155 | 162.4 | -64.5 | -35.3 | 0 | 0 | 0 | 121.9 | | |
| 1306 | S | 35.1 | Very low | 32.7 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | | | cis | -161.7 | 161.8 | -35.7 | 66 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1307 | K | 34.8 | Very low | 32.7 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | | | trans | 77 | 125.6 | 162.3 | -65.7 | 178.3 | -176.2 | 179.4 | 0 | 121.1 | | |
| 1308 | H | 36.3 | Very low | 32.7 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | | | trans | 72 | 88.4 | 145.3 | -78.1 | -69.5 | 0 | 0 | 0 | 123.6 | | |
| 1309 | T | 35 | Very low | 32.7 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | | | | 66.4 | 125.3 | 118.5 | 46.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1310 | H | 30.4 | Very low | 32.7 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | | | trans | 67.2 | 80 | 154.4 | -56.9 | -60 | 0 | 0 | 0 | 119.9 | | |
| 1311 | S | 34 | Very low | 32.5 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | | | trans | -172.2 | 152.9 | 130.9 | 43.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1312 | S | 28.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | | | trans | 11.6 | 134.1 | 147.2 | -141.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1313 | V | 29.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 79% | 0.788 | 68% | 0.677 | S | S | * | * | | | trans | 73.7 | 135 | 136.3 | 159.1 | 0 | 0 | 0 | 0 | 121 | | |
| 1314 | R | 29.3 | Very low | 32.1 | Very low | 224 Ų | 224 | 127.8 Ų | 127.8 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | | | trans | 101.5 | 75.6 | 151.1 | -152.9 | 168.7 | -171.9 | 161.6 | 1.1 | 122.6 | | |
| 1315 | S | 28.4 | Very low | 31.9 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | | | | 52.1 | 131.3 | 121.5 | 76.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 1316 | K | 31.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 85% | 0.848 | 64% | 0.644 | S | S | * | * | | | trans | 70.1 | 156 | 142.8 | -66.9 | 168.2 | -178.6 | 179.7 | 0 | 119.6 | | |
| 1317 | S | 30.4 | Very low | 31.9 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | | | cis | -179.7 | 139.4 | -32.1 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1318 | A | 32.9 | Very low | 31.6 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 65% | 0.653 | 63% | 0.634 | S | S | * | * | | | trans | 70.9 | 166.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1319 | V | 33 | Very low | 31.5 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 38% | 0.376 | 64% | 0.636 | S | S | . | * | | | cis | -168 | 160.8 | 0.5 | 84.8 | 0 | 0 | 0 | 0 | 114.8 | I1300 | I1300-V1319 VanDerWaalsContact CD1-C 3.46Å; I1300-V1319 VanDerWaalsContact CD1-O 3.28Å; I1300-V1319 WeakPolarHBondContact CD1-O 3.41Å |
| 1320 | K | 32 | Very low | 31.2 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 44% | 0.439 | 65% | 0.646 | S | S | . | * | | | trans | 91.6 | 111.4 | 150.6 | -83.3 | 173.4 | 176 | 163.6 | 0 | 126.1 | I1111 R1299 | I1111-K1320 PolarHBondContact O-NZ 3.4Å; R1299-K1320 WeakPolarHBondContact CD-O 3.29Å; R1299-K1320 PolarHBondContact NH1-O 3.4Å |
| 1321 | Q | 31.1 | Very low | 31 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 51% | 0.509 | 64% | 0.639 | S | S | . | * | | | | 70.2 | 134.8 | 117.1 | -80.8 | -179.3 | -47.5 | 0 | 0 | 127.5 | R1299 | R1299-Q1321 VanDerWaalsContact CD-O 3.28Å; R1299-Q1321 WeakPolarHBondContact CD-O 3.15Å; R1299-Q1321 PolarHBondContact NE-O 2.99Å; R1299-Q1321 PolarHBondContact NH1-O 2.85Å; R1299-Q1321 VanDerWaalsContact NH1-O 3.15Å |
| 1322 | N | 30.4 | Very low | 30.7 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | | | trans | 100.3 | 130 | 138.2 | -70.9 | 4.3 | 0 | 0 | 0 | 125.2 | | |
| 1323 | H | 32.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 61% | 0.606 | 64% | 0.638 | S | S | * | * | | | trans | 68 | 149.3 | 142.8 | -84.1 | -105.6 | 0 | 0 | 0 | 121.4 | | |
| 1324 | Y | 30.4 | Very low | 30.7 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | | | cis | -164.9 | 137.4 | -16.3 | -153.3 | -129.6 | 0 | 0 | 0 | 117.3 | S1294 | S1294-Y1324 PolarHBondContact N-O 3.48Å; S1294-Y1324 CarbonylContact O-C 3.58Å; S1294-Y1324 VanDerWaalsContact O-CA 3.29Å; S1294-Y1324 WeakPolarHBondContact O-CA 3.29Å; S1294-Y1324 PolarHBondContact O-N 2.97Å |
| 1325 | L | 32.7 | Very low | 30.8 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | | | trans | 37.8 | 134.4 | 142 | -170.5 | -88.9 | 0 | 0 | 0 | 124.6 | V1293 S1294 | V1293-L1325 WeakPolarHBondContact CB-O 3.28Å; V1293-L1325 WeakPolarHBondContact CG1-O 3.13Å; S1294-L1325 PolarHBondContact O-N 3.12Å; S1294-L1325 VanDerWaalsContact O-N 3.08Å |
| 1326 | Q | 33 | Very low | 31 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 50% | 0.495 | 63% | 0.634 | S | S | . | * | | | trans | 86.2 | -179.7 | -177.1 | -89.7 | -167.6 | 58.1 | 0 | 0 | 114.3 | V1293 S1294 | V1293-Q1326 CarbonylContact C-O 3.11Å; V1293-Q1326 HydrophobicContact CB-CB 3.95Å; V1293-Q1326 HydrophobicContact CG1-CB 4.1Å; V1293-Q1326 HydrophobicContact CG2-CB 3.77Å; V1293-Q1326 WeakPolarHBondContact CG2-O 3.41Å; S1294-Q1326 VanDerWaalsContact CA-O 3.31Å; S1294-Q1326 WeakPolarHBondContact CA-O 3.46Å; S1294-Q1326 WeakPolarHBondContact CB-O 3.28Å; S1294-Q1326 PolarHBondContact N-O 3.27Å; S1294-Q1326 PolarHBondContact OG-O 3.23Å |
| 1327 | R | 33.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 117.5 Ų | 117.5 | 59% | 0.585 | 63% | 0.632 | S | S | * | * | | | cis | -126 | -178.8 | -1.3 | -105.6 | -170.2 | -164.4 | 144.3 | 5.9 | 107.5 | D1291 T1292 V1293 | D1291-R1327 IonicContact OD1-NH2 2.65Å; D1291-R1327 PolarHBondContact OD1-NH2 2.79Å; D1291-R1327 IonicContact OD2-CZ 2.7Å; D1291-R1327 VanDerWaalsContact OD2-CZ 3.29Å; D1291-R1327 IonicContact OD2-NH1 3.02Å; D1291-R1327 PolarHBondContact OD2-NH1 3.4Å; D1291-R1327 IonicContact OD2-NH2 3.25Å; D1291-R1327 PolarHBondContact OD2-NH2 3.01Å; T1292-R1327 VanDerWaalsContact CG2-NH2 3.32Å; V1293-R1327 HydrophobicContact CG2-CB 3.49Å; V1293-R1327 VanDerWaalsContact CG2-CB 3.49Å; V1293-R1327 HydrophobicContact CG2-CG 3.57Å |
| 1328 | N | 29.9 | Very low | 31.8 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | | | | -158.1 | 148.6 | -73.8 | -155 | 4.7 | 0 | 0 | 0 | 110.2 | | |
| 1329 | Q | 33.9 | Very low | 31.9 | Very low | 168 Ų | 168 | 119.4 Ų | 119.4 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | | | trans | 62.8 | 162.5 | 171.9 | -61.2 | -176.2 | 31.8 | 0 | 0 | 117.7 | | |
| 1330 | R | 28 | Very low | 31.8 | Very low | 224 Ų | 224 | 124.2 Ų | 124.2 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | | | cis | -169.8 | 144.5 | -49.6 | -130.2 | -172.1 | -175.4 | -172.8 | 1.4 | 107.8 | | |
| 1331 | C | 25.8 | Very low | 32 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | | | trans | 70.4 | 134.1 | 150.9 | -64.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1332 | L | 28.6 | Very low | 32 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | | | trans | 83.8 | 130.6 | 147.5 | -66.4 | 162.4 | 0 | 0 | 0 | 121.6 | | |
| 1333 | S | 28.7 | Very low | 32.2 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | | | trans | 63.3 | 144.5 | 146.8 | 47.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1334 | S | 27.9 | Very low | 32.2 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | | | cis | -172.6 | 179.7 | -16.6 | 53.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1335 | S | 32.6 | Very low | 32.3 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 71% | 0.711 | S | S | * | * | | | trans | 65.6 | 118 | 158 | 32 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1336 | S | 32.6 | Very low | 32.2 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | cis | 68.6 | 126.3 | 46.7 | -46.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1337 | P | 44.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | | | | -127.5 | 171.7 | 94.2 | 40.3 | -33.7 | 0 | 0 | 0 | 111.5 | | |
| 1338 | S | 33.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | cis | -176.5 | 157.7 | -7.8 | 41.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1339 | S | 34 | Very low | 32 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | cis | 178 | 160.6 | -20.2 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1340 | L | 32.5 | Very low | 32 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | 82 | 143 | 162.4 | -51.4 | 177.9 | 0 | 0 | 0 | 117.5 | | |
| 1341 | T | 35.4 | Very low | 32.2 | Very low | 130 Ų | 130 | 117.4 Ų | 117.4 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | cis | -124.6 | 166.9 | 1.2 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1342 | S | 32.1 | Very low | 32.5 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -73.5 | -179.6 | 173.3 | 44 | 0 | 0 | 0 | 0 | 113 | | |
| 1343 | V | 34.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | | | cis | -156 | 138.3 | 42.9 | -179 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1344 | S | 32.1 | Very low | 33 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | trans | 29.4 | 147.3 | 152 | -49.9 | 0 | 0 | 0 | 0 | 127 | | |
| 1345 | S | 32.1 | Very low | 33.1 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | 89.8 | 104.7 | 132.1 | 45.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1346 | T | 31.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | | 84.5 | 146.5 | 126.5 | 56.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1347 | L | 31.1 | Very low | 33.1 | Very low | 169 Ų | 169 | 119.4 Ų | 119.4 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | 86.9 | 137.7 | 159.5 | -74.5 | 155.3 | 0 | 0 | 0 | 119.1 | | |
| 1348 | S | 27.6 | Very low | 32.5 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -158.7 | 122.7 | -170.2 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1349 | S | 32.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -167 | 144.9 | 179.2 | 47.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1350 | S | 33.1 | Very low | 32.4 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | cis | -165 | 144.3 | -2.3 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1351 | S | 33.7 | Very low | 32.4 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 26.5 | 128.8 | 151 | 58.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1352 | S | 32.5 | Very low | 32 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | -96.6 | -167.8 | 161.9 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1353 | S | 34.2 | Very low | 32 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -112.9 | 153.1 | -152.5 | 45.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1354 | L | 31.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 128 Ų | 128 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | 54.6 | 116.8 | 148.3 | -85 | 83.7 | 0 | 0 | 0 | 122.7 | | |
| 1355 | S | 31.8 | Very low | 31.9 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | | 27 | 144 | 121.5 | 58.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1356 | T | 32.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | -168.3 | 143.9 | -0.4 | 16.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1357 | T | 31.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 54.4 | 127.9 | 146.5 | 59.8 | 0 | 0 | 0 | 0 | 124 | | |
| 1358 | T | 33 | Very low | 31.6 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -161.2 | 114.6 | 130.1 | 7.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1359 | I | 33.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 74 | 140.2 | 139.7 | -66.5 | 169.2 | 0 | 0 | 0 | 122.2 | | |
| 1360 | Q | 31.5 | Very low | 31.9 | Very low | 180 Ų | 180 | 130.6 Ų | 130.6 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 62.8 | 117.9 | 175 | -75.9 | 179.2 | -92.5 | 0 | 0 | 116.7 | | |
| 1361 | S | 32.4 | Very low | 31.7 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | S | Bend | cis | -139 | 160 | 2.1 | -57.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1362 | D | 27.5 | Very low | 31.4 | Very low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | | | cis | -147.5 | 178.2 | 27.9 | -139.1 | -29.9 | 0 | 0 | 0 | 114.2 | | |
| 1363 | L | 30.9 | Very low | 31.2 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | | | trans | -16.3 | 141.3 | -178.5 | -81.6 | 151.2 | 0 | 0 | 0 | 122.4 | | |
| 1364 | M | 32.2 | Very low | 31.2 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | | | trans | -99.9 | 162.1 | 178.3 | -108.3 | -169.2 | -172.2 | 0 | 0 | 113.7 | | |
| 1365 | I | 33.2 | Very low | 30.9 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 65% | 0.651 | 72% | 0.723 | S | S | * | * | | | trans | 86.8 | 113.3 | 139.3 | -80.3 | 169.7 | 0 | 0 | 0 | 121.4 | | |
| 1366 | K | 30.4 | Very low | 31 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | | | trans | 61.1 | 110.4 | 132.2 | -62.7 | -174.8 | -175.6 | 178.8 | 0 | 123.3 | | |
| 1367 | T | 30.6 | Very low | 31.1 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | | 48.7 | 116.6 | 123.5 | 63.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1368 | L | 27.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 132 Ų | 132 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | 87.1 | 123.8 | 133.5 | -69.5 | 168.5 | 0 | 0 | 0 | 121.8 | | |
| 1369 | S | 26.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | 76.7 | 156.9 | 151.2 | 80.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1370 | P | 40.2 | Very low | 30.9 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 62% | 0.623 | 72% | 0.719 | S | S | * | * | | | cis | -138.6 | 162.2 | -48.8 | 38.4 | -24.3 | 0 | 0 | 0 | 115.5 | | |
| 1371 | F | 28.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 50% | 0.504 | 72% | 0.715 | S | S | . | * | | | trans | 62.6 | 131.9 | 146.3 | -82.2 | -52.9 | 0 | 0 | 0 | 124.4 | N1253 N1254 | N1253-F1371 VanDerWaalsContact C-CE1 3.4Å; N1253-F1371 WeakPolarHBondContact O-CE1 3.29Å; N1253-F1371 WeakPolarHBondContact O-CE2 3.04Å; N1253-F1371 WeakPolarHBondContact O-CZ 3.19Å; N1254-F1371 HydrophobicContact CB-CD2 3.82Å; N1254-F1371 HydrophobicContact CB-CE2 3.95Å; N1254-F1371 HydrophobicContact CB-CG 4.31Å; N1254-F1371 WeakPolarHBondContact O-CB 2.93Å; N1254-F1371 WeakPolarHBondContact O-CD2 3.16Å; N1254-F1371 VanDerWaalsContact O-CG 3.26Å; N1254-F1371 WeakPolarHBondContact O-CG 3.38Å |
| 1372 | L | 28.5 | Very low | 31.1 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 48% | 0.476 | 71% | 0.714 | S | S | . | * | | | trans | 67.9 | 150.1 | 152.7 | -62.4 | -164.3 | 0 | 0 | 0 | 117.4 | | |
| 1373 | N | 26.7 | Very low | 31.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | | | cis | -155.2 | 135 | 8.4 | -140.5 | -5 | 0 | 0 | 0 | 110.5 | | |
| 1374 | L | 33.8 | Very low | 31.8 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | | | | -171.2 | 139.5 | 129.4 | -130.2 | 66.8 | 0 | 0 | 0 | 112.9 | | |
| 1375 | S | 27.1 | Very low | 31.8 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -121.7 | 134 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 110 | | |
| 1376 | T | 34.4 | Very low | 31.7 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | | | trans | -150.2 | 118.8 | 168.5 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1377 | L | 34.2 | Very low | 31.7 | Very low | 162 Ų | 162 | 122 Ų | 122 | 85% | 0.848 | 69% | 0.694 | S | S | * | * | | | trans | 66.7 | 142 | 148.1 | -50.5 | 166.7 | 0 | 0 | 0 | 117.1 | | |
| 1378 | S | 34.6 | Very low | 32 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | | | cis | -162.9 | 166.5 | -10.4 | -109.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1379 | S | 30.2 | Very low | 32.4 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | | | trans | -17.2 | 152.4 | 154.9 | 55.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1380 | S | 29.6 | Very low | 32.8 | Very low | 94 Ų | 94 | 121.5 Ų | 121.5 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | | | cis | 175.6 | -173.8 | -4.3 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1381 | I | 33.8 | Very low | 32.6 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | | | trans | 75.1 | 140.4 | 161.5 | -67.4 | 164.7 | 0 | 0 | 0 | 115.6 | | |
| 1382 | I | 33.3 | Very low | 33 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 68% | 0.677 | 70% | 0.704 | S | S | * | * | | | cis | -167.4 | 160.9 | -24.9 | -152.7 | 163.6 | 0 | 0 | 0 | 111.1 | | |
| 1383 | H | 32.2 | Very low | 33.2 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | | | trans | 73.7 | 159.6 | 159.2 | -86.1 | -45.6 | 0 | 0 | 0 | 122 | | |
| 1384 | P | 41 | Very low | 33.4 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 60% | 0.604 | 73% | 0.727 | S | S | * | * | | | | -145.7 | -140.8 | -129.7 | 45.9 | -22 | 0 | 0 | 0 | 114.5 | | |
| 1385 | N | 31.6 | Very low | 33.3 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | trans | 76.6 | 152.3 | 157.8 | -83.7 | 2.9 | 0 | 0 | 0 | 118.2 | | |
| 1386 | N | 31.1 | Very low | 33.4 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | cis | -168 | 174.3 | -29.3 | -154.4 | 2.3 | 0 | 0 | 0 | 109.6 | | |
| 1387 | N | 31.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | | | trans | 66.6 | 169.4 | 154.8 | -69.9 | -5.7 | 0 | 0 | 0 | 116.2 | | |
| 1388 | N | 36.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | cis | -151.8 | 139 | 15.8 | -129.6 | -0.7 | 0 | 0 | 0 | 108.1 | | |
| 1389 | N | 36.3 | Very low | 32.7 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | | | | 141.7 | 161.8 | 97.4 | -93.1 | -13.2 | 0 | 0 | 0 | 107.6 | | |
| 1390 | N | 35.6 | Very low | 32.5 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | cis | -163.5 | 161.6 | -31.5 | -110.5 | -5.4 | 0 | 0 | 0 | 108.8 | | |
| 1391 | N | 34.3 | Very low | 32.5 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | -89.6 | 160.2 | 168.7 | -74.3 | -22.1 | 0 | 0 | 0 | 111.8 | | |
| 1392 | N | 37.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | -100.5 | 137.3 | 172 | -65.4 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 1393 | N | 31.9 | Very low | 32.2 | Very low | 154 Ų | 154 | 129 Ų | 129 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | trans | 49.3 | 117.5 | 158.3 | -51.9 | -8.7 | 0 | 0 | 0 | 118.3 | | |
| 1394 | A | 32.1 | Very low | 32.7 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | | | cis | 66.8 | 144.3 | 28.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1395 | S | 30.7 | Very low | 32 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | cis | 177.1 | 156.3 | -10.8 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1396 | S | 29.6 | Very low | 32 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -166.6 | -138.9 | -11 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1397 | L | 28.5 | Very low | 32 | Very low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | 67.8 | 158.7 | -174 | -93 | 62.2 | 0 | 0 | 0 | 114.9 | | |
| 1398 | D | 30.5 | Very low | 32 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | | | cis | -145.1 | -159.8 | 15.2 | -142.3 | -31.2 | 0 | 0 | 0 | 114.3 | | |
| 1399 | Q | 28.8 | Very low | 31.6 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | | | trans | -88.5 | 174.1 | -165.5 | -61.9 | 164.9 | 26.7 | 0 | 0 | 118.9 | | |
| 1400 | C | 27.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | trans | 94 | 136.9 | 145.2 | -76.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1401 | L | 29 | Very low | 30.8 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | trans | 54.1 | 115.6 | 149.9 | -58.5 | 166.1 | 0 | 0 | 0 | 119.1 | | |
| 1402 | S | 27.5 | Very low | 30.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | | | | 81.4 | 98.9 | 59.8 | -63.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1403 | T | 33.9 | Very low | 29.9 | Very low | 131 Ų | 131 | 127 Ų | 127 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | 23.5 | 150 | 134.8 | 60.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1404 | P | 41.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | cis | -154.9 | -176.8 | 40.9 | 39.9 | -17.2 | 0 | 0 | 0 | 119.3 | | |
| 1405 | S | 25.9 | Very low | 29.6 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | trans | 77.8 | 147.7 | 160.7 | -21.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1406 | T | 31.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | cis | -148.1 | 142.8 | 11.5 | 42.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1407 | V | 31 | Very low | 29.8 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | | | | 70.2 | 124.5 | 129.2 | 173.5 | 0 | 0 | 0 | 0 | 122 | | |
| 1408 | I | 31.9 | Very low | 30 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 83% | 0.831 | 71% | 0.714 | S | S | * | * | | | trans | 66.7 | 151.4 | 152.9 | -75.5 | 168.3 | 0 | 0 | 0 | 118.2 | | |
| 1409 | D | 28.3 | Very low | 30.2 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | cis | -178.7 | 174.8 | -29.7 | -166.2 | 7.6 | 0 | 0 | 0 | 106.9 | | |
| 1410 | N | 28.3 | Very low | 30.5 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 55% | 0.545 | 71% | 0.709 | S | S | . | * | | | trans | 38.1 | 117.7 | 145.9 | -83.1 | -38.2 | 0 | 0 | 0 | 121.3 | | |
| 1411 | Q | 26.5 | Very low | 30.9 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | | 74.7 | 126.7 | 92.2 | -77 | -164.7 | 72.2 | 0 | 0 | 118.4 | | |
| 1412 | Q | 25.5 | Very low | 31.3 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | | | trans | 57.7 | 130.4 | 136.6 | -58.3 | -169.1 | 30.1 | 0 | 0 | 123.4 | | |
| 1413 | H | 27.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | | | trans | 76.7 | 128.1 | 135.9 | -84 | -47.9 | 0 | 0 | 0 | 124 | | |
| 1414 | K | 28.7 | Very low | 31.8 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | | | trans | 80.5 | 114.6 | 139.9 | -76.1 | 179.6 | 176.8 | 177.9 | 0 | 120.6 | | |
| 1415 | V | 29.7 | Very low | 31.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | | | | 52.1 | 117.1 | 119 | 179.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1416 | N | 31.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | | | | -165.7 | 157.7 | 64 | -147.8 | 3.3 | 0 | 0 | 0 | 116.4 | | |
| 1417 | N | 32 | Very low | 31.9 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | | | trans | 58.4 | 133.7 | 151.3 | -81.2 | -4.4 | 0 | 0 | 0 | 125.1 | | |
| 1418 | N | 32.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | 91 | 112.5 | 143.9 | -67 | 5.2 | 0 | 0 | 0 | 122.3 | | |
| 1419 | N | 34.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | | | trans | 88.9 | 103.7 | 139.1 | -64.9 | 3.5 | 0 | 0 | 0 | 121.7 | | |
| 1420 | N | 34.6 | Very low | 31.8 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | | | | 92.7 | 116.9 | 128.6 | -63.1 | -4.3 | 0 | 0 | 0 | 121 | | |
| 1421 | N | 36.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | | | trans | 65.9 | 115.9 | 134 | -58.8 | -4.5 | 0 | 0 | 0 | 117.4 | | |
| 1422 | N | 39 | Very low | 32.4 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | | | | 124.1 | 149.9 | 63.1 | -89.6 | -2.2 | 0 | 0 | 0 | 104.8 | | |
| 1423 | N | 38 | Very low | 32.8 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | cis | -150.5 | 170.1 | -6.3 | -85.3 | -31 | 0 | 0 | 0 | 105.6 | | |
| 1424 | G | 34.1 | Very low | 32.8 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | | | cis | 170.4 | 147.6 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1425 | R | 34 | Very low | 32.9 | Very low | 223 Ų | 223 | 129.2 Ų | 129.2 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | | | trans | 20.7 | 116.4 | 159.2 | -71.8 | -176 | 171.4 | 177 | -3.8 | 120 | | |
| 1426 | N | 35 | Very low | 33.1 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | | 95 | 145.7 | 93.3 | -70 | 4.8 | 0 | 0 | 0 | 113.7 | | |
| 1427 | G | 32 | Very low | 33.3 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | | | cis | 142.5 | 47.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1428 | N | 30.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | | | trans | -171.4 | 148.8 | 166.8 | -96.5 | -28.8 | 0 | 0 | 0 | 107.6 | | |
| 1429 | S | 27.5 | Very low | 33.6 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | | | cis | -156 | -179.5 | -4 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1430 | T | 29.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | | | trans | 73.3 | 159.4 | -177.7 | 80.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1431 | P | 36.6 | Very low | 34.2 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | | | cis | -128.9 | -147.1 | -42.2 | 33.8 | -15.4 | 0 | 0 | 0 | 111.6 | | |
| 1432 | S | 31.7 | Very low | 34 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | | | trans | 73.8 | 42.7 | 161.2 | -51.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1433 | S | 33.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 85% | 0.846 | 68% | 0.684 | S | S | * | * | | | trans | -92.1 | 108.3 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1434 | S | 27.4 | Very low | 33.7 | Very low | 93 Ų | 93 | 113.9 Ų | 113.9 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | | | trans | 169.1 | 149.8 | 132.5 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1435 | Y | 32 | Very low | 33.5 | Very low | 211 Ų | 211 | 115.9 Ų | 115.9 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | | | trans | 66.4 | 151 | 157.9 | -65.6 | -54.3 | 0 | 0 | 0 | 120.7 | | |
| 1436 | L | 32.8 | Very low | 33.4 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 63% | 0.628 | 68% | 0.683 | S | S | * | * | | | cis | -127.7 | -127.1 | -2.9 | -128.6 | 171.7 | 0 | 0 | 0 | 109.7 | K1438 | L1436-K1438 HydrophobicContact CD2-CB 4.29Å; L1436-K1438 HydrophobicContact CD2-CG 4.26Å |
| 1437 | H | 34.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.597 | 68% | 0.681 | S | S | * | * | | | cis | -162.3 | 142.6 | -8.2 | -145.2 | 107.4 | 0 | 0 | 0 | 108.3 | | |
| 1438 | K | 34.8 | Very low | 33.2 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 42% | 0.422 | 68% | 0.683 | S | S | . | * | | | cis | -166.9 | 139.1 | -35.4 | -166.6 | -165.2 | -159.9 | -143.4 | 0 | 108.8 | L1436 N1440 D1442 | L1436-K1438 HydrophobicContact CD2-CB 4.29Å; L1436-K1438 HydrophobicContact CD2-CG 4.26Å; K1438-N1440 WeakPolarHBondContact CD-OD1 2.94Å; K1438-N1440 WeakPolarHBondContact CE-OD1 3.06Å; K1438-N1440 PolarHBondContact NZ-ND2 3.23Å; K1438-N1440 PolarHBondContact NZ-OD1 3.41Å; K1438-D1442 IonicContact NZ-OD1 3.98Å; K1438-D1442 PolarHBondContact NZ-OD1 3.06Å; K1438-D1442 IonicContact NZ-OD2 3.67Å |
| 1439 | A | 36.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 107.4 Ų | 107.4 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | | | trans | -159.7 | 121 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1440 | N | 35.5 | Very low | 33.4 | Very low | 59 Ų | 59 | 109.4 Ų | 109.4 | 32% | 0.316 | 69% | 0.687 | S | S | . | * | | | cis | 78.7 | 144.2 | 45.1 | -89.9 | 49 | 0 | 0 | 0 | 115.7 | S1240 K1438 D1442 | S1240-N1440 PolarHBondContact OG-ND2 2.74Å; K1438-N1440 WeakPolarHBondContact CD-OD1 2.94Å; K1438-N1440 WeakPolarHBondContact CE-OD1 3.06Å; K1438-N1440 PolarHBondContact NZ-ND2 3.23Å; K1438-N1440 PolarHBondContact NZ-OD1 3.41Å; N1440-D1442 VanDerWaalsContact ND2-CG 3.26Å; N1440-D1442 PolarHBondContact ND2-OD1 3.15Å; N1440-D1442 PolarHBondContact ND2-OD2 3.08Å; N1440-D1442 PolarHBondContact OD1-OD1 3.28Å |
| 1441 | P | 47.1 | Very low | 33.5 | Very low | 53 Ų | 53 | 108 Ų | 108 | 34% | 0.344 | 68% | 0.681 | S | S | . | * | | | cis | -80.7 | 175.5 | 16.3 | -16.6 | 34.5 | 0 | 0 | 0 | 117.6 | L1238 N1239 S1240 | L1238-P1441 HydrophobicContact CB-CG 4.44Å; L1238-P1441 HydrophobicContact CD2-CB 3.67Å; L1238-P1441 HydrophobicContact CD2-CG 3.79Å; N1239-P1441 WeakPolarHBondContact OD1-CG 3.26Å; S1240-P1441 WeakPolarHBondContact OG-CA 3.31Å |
| 1442 | D | 32.5 | Very low | 32.9 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 48% | 0.481 | 69% | 0.688 | S | S | . | * | | | trans | -88.6 | -176.8 | 179.5 | -44.5 | -89.7 | 0 | 0 | 0 | 112.1 | K1438 N1440 | K1438-D1442 IonicContact NZ-OD1 3.98Å; K1438-D1442 PolarHBondContact NZ-OD1 3.06Å; K1438-D1442 IonicContact NZ-OD2 3.67Å; N1440-D1442 VanDerWaalsContact ND2-CG 3.26Å; N1440-D1442 PolarHBondContact ND2-OD1 3.15Å; N1440-D1442 PolarHBondContact ND2-OD2 3.08Å; N1440-D1442 PolarHBondContact OD1-OD1 3.28Å |
| 1443 | S | 34.7 | Very low | 33 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | | | trans | -151.4 | 167.4 | -158.7 | 57.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1444 | S | 35 | Very low | 32.9 | Very low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | | | trans | 67 | 137.6 | 155.5 | 72.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1445 | A | 30.4 | Very low | 33.1 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 90% | 0.901 | 69% | 0.686 | S | S | * | * | | | trans | -111.4 | 134.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1446 | L | 31.5 | Very low | 33 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | | | trans | -141.6 | 128.3 | -172.5 | -174.6 | 145 | 0 | 0 | 0 | 111.3 | | |
| 1447 | A | 32.7 | Very low | 32.8 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | | | trans | 63.1 | 164.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1448 | A | 30.6 | Very low | 32.5 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | cis | -143.9 | 131.2 | 5.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1449 | A | 30.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | S | Bend | | -178.1 | 127.8 | 129.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1450 | V | 31.1 | Very low | 31.8 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | S | Bend | cis | -153.7 | 135.7 | -23.2 | 164.4 | 0 | 0 | 0 | 0 | 103.9 | | |
| 1451 | C | 31.2 | Very low | 31.4 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | cis | -155.7 | 161.7 | -19.4 | -105.3 | 0 | 0 | 0 | 0 | 107.5 | Q1453 | C1451-Q1453 PolarHBondContact O-N 2.92Š|
| 1452 | L | 25.2 | Very low | 30.6 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -95.6 | 79.7 | 169.2 | -137.7 | 179.9 | 0 | 0 | 0 | 110.1 | | |
| 1453 | Q | 33.2 | Very low | 30.5 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -169.3 | 134.5 | 162.8 | -109 | 171.7 | -6.1 | 0 | 0 | 106.7 | C1451 | C1451-Q1453 PolarHBondContact O-N 2.92Š|
| 1454 | Q | 31.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | S | Bend | cis | -56.7 | 154.4 | 6.9 | -125.7 | 72 | -2.3 | 0 | 0 | 116.5 | | |
| 1455 | L | 29.9 | Very low | 30.5 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -68.9 | 134 | 150.1 | -87.8 | 77.4 | 0 | 0 | 0 | 108.5 | | |
| 1456 | Q | 31.3 | Very low | 31.1 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | | -163.3 | 106.2 | 128.7 | -113.3 | 172.3 | -8.9 | 0 | 0 | 110.1 | | |
| 1457 | M | 27.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -76.8 | 153.5 | 147.5 | -86.6 | -176.2 | 62.3 | 0 | 0 | 108.4 | | |
| 1458 | Q | 28.3 | Very low | 31.4 | Very low | 177 Ų | 177 | 134.2 Ų | 134.2 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | -69.1 | 150.9 | 179.7 | -60.3 | 135.1 | -41.9 | 0 | 0 | 111.1 | | |
| 1459 | M | 27.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | | 179.9 | 115.9 | 111.8 | -91.1 | -69.6 | -106.7 | 0 | 0 | 111.9 | | |
| 1460 | M | 28.9 | Very low | 31.6 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | 56.7 | 126.8 | 152 | -56.7 | -166.6 | -62 | 0 | 0 | 122 | | |
| 1461 | C | 28.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | 60.8 | 135.3 | 138.2 | -57.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1462 | C | 30.4 | Very low | 31.8 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | | | cis | -155.7 | 170.7 | 3.6 | -105.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1463 | T | 29.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -3.3 | 147.1 | 154.3 | 63.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1464 | T | 35.8 | Very low | 32 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | cis | -149.2 | -156.5 | 38.1 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1465 | N | 33 | Very low | 32 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -153.3 | -176.2 | -164.4 | -141.1 | -11.7 | 0 | 0 | 0 | 108.6 | | |
| 1466 | P | 44.9 | Very low | 32 | Very low | 94 Ų | 94 | 132 Ų | 132 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | | | cis | -139 | -165.3 | -17.2 | 41.2 | -20.5 | 0 | 0 | 0 | 116.2 | | |
| 1467 | T | 35.8 | Very low | 32.2 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | | | trans | 78.3 | 176.2 | 165.3 | 13.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1468 | A | 33.7 | Very low | 32.4 | Very low | 74 Ų | 74 | 125 Ų | 125 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | | | cis | -130.8 | -137.2 | 16.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q839 | Q839-A1468 PolarHBondContact NE2-O 3.47Š|
| 1469 | M | 32.6 | Very low | 32.6 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 67% | 0.665 | 76% | 0.758 | S | S | * | * | | | trans | -164.7 | 139.7 | -168.8 | -129.4 | 175.6 | -174.5 | 0 | 0 | 115.4 | | |
| 1470 | A | 33.6 | Very low | 32.8 | Very low | 92 Ų | 92 | 123.9 Ų | 123.9 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | 57.3 | 161.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1471 | V | 32.3 | Very low | 33 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | cis | -166.8 | 140.8 | -22.5 | 137.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1472 | A | 34 | Very low | 33.3 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 60.1 | 167.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1473 | L | 30.7 | Very low | 33.3 | Very low | 146 Ų | 146 | 121 Ų | 121 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | cis | -159 | 158.2 | -30.6 | -106.7 | 171.7 | 0 | 0 | 0 | 108.7 | | |
| 1474 | N | 31.5 | Very low | 33.5 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | | | trans | 48.2 | 121.1 | 157.8 | -64.6 | -9.3 | 0 | 0 | 0 | 121.6 | | |
| 1475 | A | 31.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 119 Ų | 119 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | | | | -167.4 | 153.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1476 | L | 30.6 | Very low | 33.4 | Very low | 166 Ų | 166 | 116.6 Ų | 116.6 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | | | trans | -123.1 | 150.7 | 176.4 | -85.4 | 161.5 | 0 | 0 | 0 | 110.6 | | |
| 1477 | N | 35.1 | Very low | 32.7 | Very low | 162 Ų | 162 | 119.4 Ų | 119.4 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | | | trans | -161.3 | 147.9 | 155.4 | -85.1 | -40.9 | 0 | 0 | 0 | 106.4 | | |
| 1478 | G | 31.3 | Very low | 32.4 | Very low | 60 Ų | 60 | 121.7 Ų | 121.7 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | | | cis | 100.4 | 134.5 | 15.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1479 | F | 32.9 | Very low | 32.2 | Very low | 207 Ų | 207 | 124.3 Ų | 124.3 | 91% | 0.908 | 73% | 0.73 | S | S | * | * | | | cis | -166.7 | 147.9 | 1.8 | -119.3 | -80.5 | 0 | 0 | 0 | 110.4 | | |
| 1480 | S | 32.5 | Very low | 32.1 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -176.5 | 107.5 | 153.3 | 54.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1481 | S | 33.5 | Very low | 32 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | | | | 60.9 | 137.2 | 86.1 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1482 | N | 32.7 | Very low | 32 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -163.8 | 172.5 | 1.1 | -114 | 34.6 | 0 | 0 | 0 | 108.4 | | |
| 1483 | S | 31.5 | Very low | 31.8 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 55% | 0.545 | 74% | 0.74 | S | S | . | * | | | cis | -177.2 | 177.9 | -20.8 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1484 | I | 32.8 | Very low | 31.8 | Very low | 70 Ų | 70 | 131 Ų | 131 | 36% | 0.359 | 74% | 0.735 | S | S | . | * | | | trans | 80.9 | 149.7 | 159.5 | -65.4 | 165.4 | 0 | 0 | 0 | 117.7 | E796 D797 | E796-I1484 HydrophobicContact CB-CD1 4.45Å; D797-I1484 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1485 | I | 29.4 | Very low | 32 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | trans | -149.7 | -13.3 | -142.6 | 3.5 | 169.6 | 0 | 0 | 0 | 122.3 | N1487 | I1485-N1487 PolarHBondContact O-N 2.69Š|
| 1486 | P | 39 | Very low | 32 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 60% | 0.604 | 72% | 0.722 | S | S | * | * | | | trans | -82.9 | 102.9 | -147.2 | 30.6 | -39 | 0 | 0 | 0 | 120.6 | | |
| 1487 | N | 30.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | | | trans | 72.3 | 165.5 | 130.9 | -128.7 | -16.5 | 0 | 0 | 0 | 122.4 | I1485 | I1485-N1487 PolarHBondContact O-N 2.69Š|
| 1488 | M | 29.6 | Very low | 32.3 | Very low | 159 Ų | 159 | 126 Ų | 126 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | 73.1 | 94.8 | 169.3 | -62.2 | -67.9 | -174.4 | 0 | 0 | 121.4 | | |
| 1489 | N | 29.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 127.5 Ų | 127.5 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | | | | 23 | 128.6 | 127.8 | -81.2 | -13.4 | 0 | 0 | 0 | 122.7 | | |
| 1490 | F | 30.5 | Very low | 32.2 | Very low | 187 Ų | 187 | 122.5 Ų | 122.5 | 82% | 0.82 | 72% | 0.715 | S | S | * | * | | | trans | 57.3 | 147.6 | 143.9 | -62.5 | -59.3 | 0 | 0 | 0 | 119 | | |
| 1491 | S | 30 | Very low | 32.3 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | cis | -158.9 | 169.4 | -3.1 | -110.9 | 0 | 0 | 0 | 0 | 109 | F1493 | S1491-F1493 PolarHBondContact O-N 2.7Š|
| 1492 | S | 32.4 | Very low | 32.1 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | | | trans | -65.4 | 125.9 | 171.7 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1493 | F | 30.4 | Very low | 32 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | | | trans | -61.6 | 162.5 | 166.5 | -73.2 | -70.3 | 0 | 0 | 0 | 111.7 | S1491 | S1491-F1493 PolarHBondContact O-N 2.7Š|
| 1494 | H | 31.9 | Very low | 31.9 | Very low | 142 Ų | 142 | 128 Ų | 128 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | | | cis | -158.5 | 145.4 | 25 | -156.5 | -139 | 0 | 0 | 0 | 112.8 | | |
| 1495 | M | 35.3 | Very low | 31.8 | Very low | 133 Ų | 133 | 131 Ų | 131 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | | | trans | 63.8 | 122.3 | 162.5 | -62.1 | -70.1 | 151.6 | 0 | 0 | 118.4 | | |
| 1496 | N | 32 | Very low | 31.9 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | | 88.9 | 151.6 | 52.9 | -91.8 | -20 | 0 | 0 | 0 | 114.5 | | |
| 1497 | P | 43.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | cis | -132.2 | 171.1 | -25.7 | 38.8 | -23.4 | 0 | 0 | 0 | 113.1 | | |
| 1498 | G | 28.8 | Very low | 31.8 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | 173.6 | 141.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1499 | A | 33 | Very low | 32.2 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | trans | -103.4 | 157.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1500 | S | 28.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | 30.1 | 112.8 | 152.1 | 59.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1501 | H | 33.4 | Very low | 32.1 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | | | | -168.1 | 171.1 | 117 | -115.9 | -119.6 | 0 | 0 | 0 | 111.6 | | |
| 1502 | Q | 31.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | | | trans | -1.8 | 146.2 | 148.1 | -68.9 | 158 | -24.2 | 0 | 0 | 117.2 | | |
| 1503 | S | 28.9 | Very low | 32.3 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | | | cis | 169.3 | -178.6 | 1.7 | 55 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1504 | N | 31 | Very low | 32.6 | Very low | 129 Ų | 129 | 121 Ų | 121 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | | | trans | 59.1 | 118.8 | 150.8 | -62.8 | -3.4 | 0 | 0 | 0 | 119.1 | N1506 | N1504-N1506 PolarHBondContact O-N 3.02Š|
| 1505 | N | 29.7 | Very low | 33.2 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | | | trans | -48.3 | 106.5 | 130.8 | -71.5 | -24.3 | 0 | 0 | 0 | 109.6 | S1508 | N1505-S1508 PolarHBondContact O-OG 3.25Å; N1505-S1508 VanDerWaalsContact O-OG 3.11Å |
| 1506 | N | 31.6 | Very low | 33.3 | Very low | 137 Ų | 137 | 117.3 Ų | 117.3 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -87.2 | 135 | 138.9 | -73.9 | -23.4 | 0 | 0 | 0 | 105.9 | N1504 | N1504-N1506 PolarHBondContact O-N 3.02Š|
| 1507 | N | 39.6 | Very low | 33.5 | Very low | 155 Ų | 155 | 118.1 Ų | 118.1 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 58.9 | 67.2 | -166 | -50.2 | -13.6 | 0 | 0 | 0 | 112.3 | | |
| 1508 | S | 27.7 | Very low | 33.2 | Very low | 64 Ų | 64 | 119.1 Ų | 119.1 | 45% | 0.448 | 73% | 0.733 | S | S | . | * | | | cis | 53.5 | 127.4 | 39.1 | -63 | 0 | 0 | 0 | 0 | 113.1 | N1505 | N1505-S1508 PolarHBondContact O-OG 3.25Å; N1505-S1508 VanDerWaalsContact O-OG 3.11Å |
| 1509 | T | 37.1 | Very low | 33.4 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | | | trans | 67.4 | 132.4 | 174.5 | 77.9 | 0 | 0 | 0 | 0 | 115.5 | T1511 | T1509-T1511 VanDerWaalsContact CB-OG1 3.27Å; T1509-T1511 WeakPolarHBondContact CB-OG1 3.43Å; T1509-T1511 HydrophobicContact CG2-CG2 3.64Å; T1509-T1511 PolarHBondContact OG1-OG1 3.48Å |
| 1510 | V | 27.1 | Very low | 33.6 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 93% | 0.933 | 74% | 0.738 | S | S | * | * | | | cis | 54.5 | 52.2 | -2.3 | -162.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1511 | T | 31.2 | Very low | 33.9 | Very low | 107 Ų | 107 | 124 Ų | 124 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | | | trans | -145.8 | 141.7 | 158.9 | 49 | 0 | 0 | 0 | 0 | 109.9 | T1509 | T1509-T1511 VanDerWaalsContact CB-OG1 3.27Å; T1509-T1511 WeakPolarHBondContact CB-OG1 3.43Å; T1509-T1511 HydrophobicContact CG2-CG2 3.64Å; T1509-T1511 PolarHBondContact OG1-OG1 3.48Å |
| 1512 | A | 34 | Very low | 34 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | cis | -165.6 | 149.8 | -17.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1513 | T | 32.7 | Very low | 34 | Very low | 141 Ų | 141 | 121.1 Ų | 121.1 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -179.9 | 110.1 | 137 | 19.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1514 | T | 35.7 | Very low | 34.1 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | cis | -143.3 | 173.5 | -3.3 | 48 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1515 | A | 44.7 | Very low | 34.1 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | -46.2 | 147.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1516 | T | 38.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | cis | -157 | 129.8 | -3.2 | 8.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1517 | N | 36.6 | Very low | 34.2 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | trans | 49.5 | 127.9 | 140.7 | -59 | -1.1 | 0 | 0 | 0 | 120.2 | | |
| 1518 | T | 35.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | cis | -135.3 | 156.8 | 1.7 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1519 | A | 34.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 88% | 0.876 | 77% | 0.772 | S | S | * | * | | | trans | -120.5 | 168.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1520 | S | 36 | Very low | 33.5 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | | | trans | -124.7 | -178.1 | -161.2 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1521 | N | 35 | Very low | 33.9 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -76.6 | 149.3 | -165 | -68.7 | -28.3 | 0 | 0 | 0 | 117 | | |
| 1522 | S | 35.3 | Very low | 34 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | 59.8 | 113.6 | 137.9 | 66 | 0 | 0 | 0 | 0 | 122.9 | | |
| 1523 | N | 31.6 | Very low | 34 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | trans | 74.6 | 133.2 | 130.4 | -69.3 | -2.4 | 0 | 0 | 0 | 124 | | |
| 1524 | A | 31.7 | Very low | 34.1 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | | | trans | 88.1 | 115.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1525 | N | 29.9 | Very low | 34 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | trans | 50.2 | 109.8 | 143.1 | -53.9 | -11.1 | 0 | 0 | 0 | 119.8 | | |
| 1526 | T | 33 | Very low | 33.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | | 179.7 | 144.3 | 85.4 | 39.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1527 | S | 31.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 44.7 | 106.2 | 148.5 | 62.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1528 | E | 28.4 | Very low | 33.3 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | | 87 | 162.5 | 110.6 | -152.9 | 178.4 | -95.7 | 0 | 0 | 120.8 | | |
| 1529 | W | 31.5 | Very low | 33.4 | Very low | 210 Ų | 210 | 130.9 Ų | 130.9 | 80% | 0.795 | 74% | 0.744 | S | S | * | * | | | trans | 75.6 | 129.5 | 179.5 | -62 | 69 | 0 | 0 | 0 | 116.4 | | |
| 1530 | L | 30.2 | Very low | 33.6 | Very low | 125 Ų | 125 | 132 Ų | 132 | 65% | 0.654 | 74% | 0.735 | S | S | * | * | | | cis | 156.8 | 160.8 | -16 | -100.7 | 167.7 | 0 | 0 | 0 | 104.9 | | |
| 1531 | T | 35 | Very low | 33.6 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | cis | -92.5 | -117.6 | 1 | 39.4 | 0 | 0 | 0 | 0 | 111 | | |
| 1532 | S | 32.7 | Very low | 33.6 | Very low | 91 Ų | 91 | 130.7 Ų | 130.7 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | | | cis | -165.9 | 160.2 | -6.4 | -126.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1533 | N | 33.3 | Very low | 33.6 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | cis | -156.7 | 172.8 | -3.2 | -156.3 | -82.2 | 0 | 0 | 0 | 109.1 | | |
| 1534 | K | 35.1 | Very low | 33.7 | Very low | 194 Ų | 194 | 131.1 Ų | 131.1 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | | | trans | 63.8 | 137.8 | 179.4 | -76.5 | -175.7 | 177.5 | -178.7 | 0 | 115.6 | | |
| 1535 | S | 34 | Very low | 33.9 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | | | cis | -158.9 | 128.4 | 5 | 170.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1536 | N | 34 | Very low | 33.9 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | trans | 64.4 | 143.5 | 155.5 | -56.5 | -8.4 | 0 | 0 | 0 | 120.7 | | |
| 1537 | N | 34.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | | | cis | 92.9 | 147.3 | 19.1 | -75 | 38.9 | 0 | 0 | 0 | 116.5 | | |
| 1538 | N | 37.1 | Very low | 34 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | cis | -113.2 | -126.5 | -2.8 | -81.8 | -20.9 | 0 | 0 | 0 | 110.5 | | |
| 1539 | N | 37.4 | Very low | 34.2 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | | | cis | -163.1 | 177.9 | -3.5 | -142.8 | 78.3 | 0 | 0 | 0 | 112.8 | | |
| 1540 | D | 39 | Very low | 34.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | | | trans | 70.4 | 141.5 | 162.4 | -64.4 | -29 | 0 | 0 | 0 | 122.5 | | |
| 1541 | N | 36 | Very low | 34.4 | Very low | 120 Ų | 120 | 132 Ų | 132 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | | | cis | -166.4 | 160.2 | -36 | -129.5 | -42 | 0 | 0 | 0 | 114.6 | | |
| 1542 | N | 35.6 | Very low | 34.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | | | trans | 75.5 | 128.5 | 154.3 | -70 | -33.7 | 0 | 0 | 0 | 125.7 | | |
| 1543 | N | 35.7 | Very low | 34.7 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | | | trans | 79.5 | 146.1 | 143.4 | -66.7 | -24.8 | 0 | 0 | 0 | 123.5 | | |
| 1544 | N | 32.7 | Very low | 34.4 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | | | | -178.4 | 130.1 | -55.2 | -102.3 | -36.6 | 0 | 0 | 0 | 110.6 | | |
| 1545 | N | 35.4 | Very low | 34 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | 153.7 | 141.4 | 156.9 | -86.3 | -13.1 | 0 | 0 | 0 | 110.6 | | |
| 1546 | F | 30.2 | Very low | 33.7 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 79% | 0.789 | 71% | 0.711 | S | S | * | * | | | cis | -163.4 | 175.8 | -28.1 | -141.7 | -91.1 | 0 | 0 | 0 | 107.5 | | |
| 1547 | L | 34.2 | Very low | 33.4 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | | | trans | 73.9 | 92.9 | 169 | -69.1 | 161.9 | 0 | 0 | 0 | 119.2 | | |
| 1548 | N | 32.2 | Very low | 33.2 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | | | | 89.4 | 98.1 | 120 | -73 | 17.7 | 0 | 0 | 0 | 122.8 | | |
| 1549 | T | 33 | Very low | 32.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 66% | 0.656 | 72% | 0.718 | S | S | * | * | | | | 90.9 | 112.7 | 116.5 | 51.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1550 | L | 32.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | trans | 73 | 143.2 | 133.7 | -58.7 | 171.5 | 0 | 0 | 0 | 117.3 | | |
| 1551 | N | 34 | Very low | 32 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | cis | -159.4 | 170.8 | -18.6 | -126.5 | 15.9 | 0 | 0 | 0 | 109.4 | | |
| 1552 | P | 41.5 | Very low | 31.6 | Very low | 90 Ų | 90 | 133 Ų | 133 | 58% | 0.584 | 72% | 0.716 | S | S | * | * | | | | -138.7 | -170.3 | -105.3 | 44.5 | -25.8 | 0 | 0 | 0 | 115.3 | | |
| 1553 | M | 31.1 | Very low | 32 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | | | trans | 67.7 | 139.7 | 161 | -65.4 | -179 | 176.8 | 0 | 0 | 116.9 | | |
| 1554 | D | 27.4 | Very low | 32.2 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | cis | 79 | 93 | 32.8 | -66.6 | -47.4 | 0 | 0 | 0 | 116.4 | | |
| 1555 | S | 27.6 | Very low | 32.4 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | | | trans | 75.3 | 151 | 132.7 | 83 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1556 | N | 27.3 | Very low | 31.9 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | 78.7 | 131.5 | 149.2 | -73.4 | -46.4 | 0 | 0 | 0 | 121 | | |
| 1557 | F | 27 | Very low | 32 | Very low | 182 Ų | 182 | 125.4 Ų | 125.4 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | | | trans | 71.9 | 146 | 158.6 | -88.9 | -108.2 | 0 | 0 | 0 | 120.6 | | |
| 1558 | T | 31.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 127 Ų | 127 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | | | trans | 64.3 | 130 | 161.4 | 36.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1559 | L | 26.3 | Very low | 31.8 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | | | trans | -44.8 | 138.6 | 151.7 | -62.3 | 160.3 | 0 | 0 | 0 | 109.4 | I1561 | L1559-I1561 HydrophobicContact CB-CD1 4.31Å; L1559-I1561 HydrophobicContact CB-CG1 4.23Å; L1559-I1561 HydrophobicContact CD1-CD1 4.46Å; L1559-I1561 HydrophobicContact CD2-CG1 4.24Å |
| 1560 | P | 32.6 | Very low | 31.9 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | | | | -115.8 | 150 | 72.4 | 39.6 | -37.1 | 0 | 0 | 0 | 112.1 | | |
| 1561 | I | 28 | Very low | 31.6 | Very low | 111 Ų | 111 | 128 Ų | 128 | 57% | 0.569 | 70% | 0.698 | S | S | * | * | | | cis | 67.8 | 112.5 | 47.8 | -64.4 | 175.3 | 0 | 0 | 0 | 112 | L1559 | L1559-I1561 HydrophobicContact CB-CD1 4.31Å; L1559-I1561 HydrophobicContact CB-CG1 4.23Å; L1559-I1561 HydrophobicContact CD1-CD1 4.46Å; L1559-I1561 HydrophobicContact CD2-CG1 4.24Å |
| 1562 | N | 28.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 57% | 0.567 | 70% | 0.696 | S | S | * | * | | | trans | 67.6 | 147.2 | 164.7 | -61.1 | -22.8 | 0 | 0 | 0 | 114.4 | L1566 | N1562-L1566 WeakPolarHBondContact ND2-CD1 3.27Š|
| 1563 | N | 44.5 | Very low | 30.8 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | | | | 53 | 130.7 | 57.1 | -62.3 | -37.9 | 0 | 0 | 0 | 111.8 | | |
| 1564 | P | 40 | Very low | 30.6 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | S | Bend | | -131.5 | 125.1 | 129 | 34.1 | -25.7 | 0 | 0 | 0 | 110.1 | | |
| 1565 | S | 35.5 | Very low | 30.8 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | | | cis | -145.2 | 154.9 | -7.2 | -75.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 1566 | L | 26.2 | Very low | 30.8 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 49% | 0.492 | 71% | 0.706 | S | S | . | * | | | | 44.4 | 131.4 | 68.5 | -63.3 | 167.9 | 0 | 0 | 0 | 110.3 | N1562 | N1562-L1566 WeakPolarHBondContact ND2-CD1 3.27Š|
| 1567 | L | 32.1 | Very low | 31.1 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 65% | 0.654 | 71% | 0.713 | S | S | * | * | | | | -157.3 | 161.6 | 60.5 | -82.7 | 164 | 0 | 0 | 0 | 110.9 | | |
| 1568 | F | 35 | Very low | 31.3 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 75% | 0.746 | 71% | 0.707 | S | S | * | * | | | trans | 60.9 | 102 | 158.6 | -61.5 | -47.4 | 0 | 0 | 0 | 115.2 | | |
| 1569 | F | 26.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 130 Ų | 130 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | | | | 38.5 | 131.2 | 55.1 | -71.3 | -77.7 | 0 | 0 | 0 | 112.5 | | |
| 1570 | P | 35 | Very low | 32.2 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | | | cis | -141.5 | -177.1 | 34.5 | 44 | -26.2 | 0 | 0 | 0 | 115.4 | | |
| 1571 | N | 25.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | | | trans | 24 | 144.8 | 135.8 | -64.7 | 31.1 | 0 | 0 | 0 | 122.9 | | |
| 1572 | E | 26.1 | Very low | 32.6 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | 72.8 | 155.9 | 138.6 | -74.2 | 163.1 | -110.3 | 0 | 0 | 119.1 | | |
| 1573 | H | 33.5 | Very low | 33.2 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | | | trans | 62.9 | 130.9 | -171.9 | -42.1 | -73.1 | 0 | 0 | 0 | 112.9 | | |
| 1574 | G | 26.8 | Very low | 32.7 | Very low | 63 Ų | 63 | 128.1 Ų | 128.1 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | cis | 97.1 | 149.2 | 26.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1575 | L | 31.3 | Very low | 32.3 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | 71.6 | 120.8 | -168 | -42.9 | 179.6 | 0 | 0 | 0 | 111.6 | | |
| 1576 | L | 27.7 | Very low | 32 | Very low | 147 Ų | 147 | 134.2 Ų | 134.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | | | | 60.2 | 110.5 | 55.1 | -54.6 | 166.2 | 0 | 0 | 0 | 111.7 | | |
| 1577 | L | 32.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | | | | -167.7 | 146.5 | 96.1 | -98.3 | 166.2 | 0 | 0 | 0 | 112.9 | | |
| 1578 | N | 30.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 134 Ų | 134 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | | | trans | -68.9 | 170.6 | 171.2 | -56.5 | -49 | 0 | 0 | 0 | 110.8 | | |
| 1579 | P | 45.5 | Very low | 32.9 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | | | | -112.2 | 151.5 | 92.6 | 32 | -35.1 | 0 | 0 | 0 | 114.4 | | |
| 1580 | C | 31.3 | Very low | 33.1 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -67.9 | 152.8 | -162.7 | -51.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1581 | G | 35.2 | Very low | 32.9 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -172.1 | 34.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1582 | I | 34 | Very low | 33.2 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | | | trans | -70.2 | 150.3 | 169.2 | -72.2 | 170.5 | 0 | 0 | 0 | 109.3 | | |
| 1583 | P | 41.2 | Very low | 33.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | cis | -139.7 | -178.2 | 15 | 31.2 | -6.5 | 0 | 0 | 0 | 119 | | |
| 1584 | S | 33.7 | Very low | 33.6 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | 76.4 | 111.6 | 132.8 | 59.3 | 0 | 0 | 0 | 0 | 125.8 | | |
| 1585 | T | 33.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | | 66.4 | 113.3 | 124.4 | 63.1 | 0 | 0 | 0 | 0 | 124 | | |
| 1586 | Y | 28.1 | Very low | 34.2 | Very low | 222 Ų | 222 | 128.5 Ų | 128.5 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | | | | 19.1 | 155.6 | 105.9 | -79 | -83.8 | 0 | 0 | 0 | 120.6 | | |
| 1587 | P | 44.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | cis | -138.3 | -169.9 | 11.7 | 33.8 | -10.7 | 0 | 0 | 0 | 116.9 | | |
| 1588 | N | 32.2 | Very low | 34.7 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | | | | 119.7 | 139.5 | 128.7 | -92.2 | -7.7 | 0 | 0 | 0 | 122.2 | | |
| 1589 | H | 34.3 | Very low | 34.7 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | trans | 71.6 | 155.8 | 143.9 | -69.3 | -20.2 | 0 | 0 | 0 | 120.5 | | |
| 1590 | I | 32.6 | Very low | 34 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | cis | -169 | 170.1 | -27.3 | -141.6 | 177.9 | 0 | 0 | 0 | 106 | | |
| 1591 | S | 29.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | cis | -150.1 | -174.4 | 1.6 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1592 | S | 32 | Very low | 33.8 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | -103.8 | 146.9 | 157.8 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1593 | S | 35.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 56.4 | 109.4 | 155.8 | 58.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1594 | N | 32.7 | Very low | 33.4 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | 68.4 | 132 | 135 | -60.9 | 4.7 | 0 | 0 | 0 | 123.8 | | |
| 1595 | H | 34.5 | Very low | 33.2 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | trans | 63.5 | 153.5 | 160.8 | -72.6 | -73.6 | 0 | 0 | 0 | 120.6 | | |
| 1596 | S | 37.5 | Very low | 33.2 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | | | | -169.4 | 127 | -59.3 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1597 | T | 38.1 | Very low | 33.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | | | trans | 63.6 | 156.6 | 149.1 | 52.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1598 | D | 32.7 | Very low | 32.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | cis | -159.3 | -168.9 | 3.8 | -136.4 | -36.3 | 0 | 0 | 0 | 114.5 | | |
| 1599 | F | 31 | Very low | 33 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | | | trans | 111.8 | 133.8 | 161.3 | -75.9 | -73.6 | 0 | 0 | 0 | 115.9 | | |
| 1600 | S | 30.9 | Very low | 33 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | | | cis | -162.1 | 178 | 1.2 | 74.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1601 | M | 28.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | cis | -164.8 | 157.6 | -5.5 | -145.5 | -168 | -63.3 | 0 | 0 | 109.4 | | |
| 1602 | F | 34 | Very low | 33.3 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | | | | -177.1 | 120.8 | 129.4 | -121.4 | -94.8 | 0 | 0 | 0 | 112.7 | | |
| 1603 | T | 32.7 | Very low | 33.5 | Very low | 100 Ų | 100 | 138 Ų | 138 | 61% | 0.613 | 73% | 0.728 | S | S | * | * | | | trans | 27.3 | 117 | 157.7 | 61.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1604 | Q | 32.3 | Very low | 33.4 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | | 63 | 115.9 | 127.3 | -64.5 | 179.1 | -10.8 | 0 | 0 | 122.2 | | |
| 1605 | F | 30.6 | Very low | 33.4 | Very low | 212 Ų | 212 | 136.9 Ų | 136.9 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | | | | -147.9 | 147.5 | 104 | -114.2 | -80.6 | 0 | 0 | 0 | 109 | | |
| 1606 | T | 33.3 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | trans | -125.5 | -174.5 | -169.8 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1607 | D | 31.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | | | trans | 97.1 | 110.7 | 165 | -58.8 | 18 | 0 | 0 | 0 | 113.5 | | |
| 1608 | Y | 31.5 | Very low | 32.8 | Very low | 191 Ų | 191 | 141 Ų | 141 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | cis | -152.8 | 171.4 | 4.4 | -65 | 124.3 | 0 | 0 | 0 | 108 | | |
| 1609 | I | 37.4 | Very low | 33 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 68% | 0.677 | 74% | 0.74 | S | S | * | * | | | cis | -175.9 | 145.8 | -16.6 | -97.9 | 169.3 | 0 | 0 | 0 | 103 | | |
| 1610 | D | 34.8 | Very low | 33.6 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -161.9 | 174.1 | -12.9 | -93 | -12.5 | 0 | 0 | 0 | 106.2 | | |
| 1611 | G | 34.1 | Very low | 33.7 | Very low | 55 Ų | 55 | 136 Ų | 136 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | | | cis | 170.8 | -86.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1613 | G1611-S1613 VanDerWaalsContact O-CB 3.29Å; G1611-S1613 WeakPolarHBondContact O-CB 3.36Å; G1611-S1613 PolarHBondContact O-OG 3.11Å |
| 1612 | F | 34.6 | Very low | 33.9 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | | | trans | -63.3 | 118.3 | -169.4 | -58.2 | -84.8 | 0 | 0 | 0 | 114.6 | | |
| 1613 | S | 36.3 | Very low | 33.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | | | cis | 72.8 | 142.7 | 8.2 | -91.9 | 0 | 0 | 0 | 0 | 117.2 | G1611 | G1611-S1613 VanDerWaalsContact O-CB 3.29Å; G1611-S1613 WeakPolarHBondContact O-CB 3.36Å; G1611-S1613 PolarHBondContact O-OG 3.11Å |
| 1614 | L | 33.2 | Very low | 33.8 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | cis | -163.5 | 144.9 | 4.5 | -147.3 | 172.9 | 0 | 0 | 0 | 112.5 | | |
| 1615 | G | 32.6 | Very low | 33.6 | Very low | 58 Ų | 58 | 136.2 Ų | 136.2 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | | | trans | 132.2 | 161.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1616 | N | 35.4 | Very low | 33.8 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | cis | -173.1 | 167.4 | -4.8 | -88.3 | -32.5 | 0 | 0 | 0 | 107.3 | | |
| 1617 | M | 31.6 | Very low | 33.9 | Very low | 165 Ų | 165 | 133 Ų | 133 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | cis | -164.2 | -178.4 | -8.1 | -111 | -82.6 | 87.8 | 0 | 0 | 108.7 | | |
| 1618 | L | 30 | Very low | 33.8 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | trans | -146.9 | 139.1 | -178.2 | -108 | 177.7 | 0 | 0 | 0 | 117.1 | | |
| 1619 | S | 35.7 | Very low | 33.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | 66.3 | 160.9 | 161.5 | 79.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1620 | P | 45.2 | Very low | 34.1 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | | -156.5 | 161.1 | 82.8 | 43.2 | -23.4 | 0 | 0 | 0 | 120 | | |
| 1621 | S | 32.7 | Very low | 33.8 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | 55.5 | 127.6 | 136.6 | 71.1 | 0 | 0 | 0 | 0 | 126.8 | | |
| 1622 | L | 32.7 | Very low | 33.8 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | 77.3 | 167.5 | 134.6 | -97.4 | 71.4 | 0 | 0 | 0 | 122.6 | | |
| 1623 | S | 31 | Very low | 33.7 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -139.7 | 157.3 | -153 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1624 | N | 33.3 | Very low | 33.4 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 92% | 0.92 | 78% | 0.784 | S | S | * | * | | | trans | -150.4 | 160.5 | 160.5 | -117.2 | -26.9 | 0 | 0 | 0 | 112.6 | | |
| 1625 | L | 28.6 | Very low | 33.3 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -117.8 | 142.3 | -168.5 | -78.2 | 146.3 | 0 | 0 | 0 | 113.3 | | |
| 1626 | T | 33.4 | Very low | 33.3 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -150 | 117.2 | 154.5 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1627 | S | 35.9 | Very low | 33.1 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | 36.7 | 131.1 | 144.2 | 60.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1628 | G | 30.7 | Very low | 33.2 | Very low | 81 Ų | 81 | 130.4 Ų | 130.4 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 165.5 | 72.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1629 | C | 29.9 | Very low | 33.5 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 86% | 0.858 | 78% | 0.775 | S | S | * | * | | | trans | -101.4 | 171.6 | 167.1 | -77.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1630 | P | 43.5 | Very low | 33.5 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | -138.2 | -168.4 | -10.8 | 26.4 | -0.7 | 0 | 0 | 0 | 114.5 | | |
| 1631 | D | 29.4 | Very low | 33 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | | 102.1 | 150.6 | 121.8 | -109.3 | -35.2 | 0 | 0 | 0 | 125.9 | | |
| 1632 | L | 33.3 | Very low | 33.5 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | trans | 72.1 | 99.7 | 154.2 | -64.6 | 169 | 0 | 0 | 0 | 123.8 | | |
| 1633 | L | 34.1 | Very low | 33.3 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | | 48.9 | 110 | 116.9 | -62.9 | -177.7 | 0 | 0 | 0 | 123.3 | | |
| 1634 | N | 29.3 | Very low | 33.5 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | | 73.1 | 153.2 | 105.7 | -153.1 | 15.2 | 0 | 0 | 0 | 122.5 | | |
| 1635 | L | 31.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | trans | 81.5 | 115.6 | 165.2 | -61.4 | 175.7 | 0 | 0 | 0 | 121.2 | | |
| 1636 | N | 32.2 | Very low | 33.4 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | 74.5 | 104.8 | 134.7 | -62.1 | -9.5 | 0 | 0 | 0 | 121.8 | | |
| 1637 | S | 30.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | | 65.8 | 112.5 | 121.2 | -51.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1638 | I | 35.3 | Very low | 33 | Very low | 158 Ų | 158 | 128 Ų | 128 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | | -174.2 | 135.9 | 101.9 | -94.6 | 157.4 | 0 | 0 | 0 | 112.5 | | |
| 1639 | H | 35.6 | Very low | 32.9 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | 70.2 | 128.2 | 160.3 | -96.2 | -128.8 | 0 | 0 | 0 | 124 | | |
| 1640 | L | 35 | Very low | 32.9 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | | | trans | 82.2 | 79.8 | 145.7 | -64.4 | 167.4 | 0 | 0 | 0 | 121.3 | | |
| 1641 | S | 35.6 | Very low | 32.5 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | | 96.5 | 135.4 | 122.4 | -57.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1642 | P | 43.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | trans | -106.6 | 173.8 | -168.6 | 42.2 | -37 | 0 | 0 | 0 | 114.7 | | |
| 1643 | C | 28.8 | Very low | 33 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | trans | -69.5 | 139.2 | 161.6 | -56.3 | 0 | 0 | 0 | 0 | 111 | | |
| 1644 | L | 33.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | | 173.6 | 126.9 | 124 | -96.4 | 165.1 | 0 | 0 | 0 | 114.2 | | |
| 1645 | N | 29.9 | Very low | 33.4 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | trans | 72.9 | 157 | 136.6 | -147.7 | 9.2 | 0 | 0 | 0 | 121.6 | | |
| 1646 | T | 31.7 | Very low | 33.7 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | | | trans | 60.9 | 115.2 | 164.4 | 46.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1647 | N | 30.4 | Very low | 33.9 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | | 69.9 | 109.4 | 130 | -62.2 | -4.2 | 0 | 0 | 0 | 121 | | |
| 1648 | S | 28.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | | | | 105.6 | 151.6 | 116.7 | 79.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1649 | L | 29.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | trans | 79.8 | 120.6 | 151.3 | -76.6 | 163.3 | 0 | 0 | 0 | 120.7 | | |
| 1650 | I | 30.3 | Very low | 34.1 | Very low | 141 Ų | 141 | 123 Ų | 123 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | trans | 94.7 | 139.8 | 141.6 | -61.9 | 158.8 | 0 | 0 | 0 | 118.6 | | |
| 1651 | T | 34.6 | Very low | 34 | Very low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | 58.1 | 89.6 | 169.4 | 43.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1652 | T | 35.4 | Very low | 33.8 | Very low | 152 Ų | 152 | 124 Ų | 124 | 93% | 0.933 | 76% | 0.757 | S | S | * | * | | | | -102.9 | 140.8 | 116.2 | 37.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1653 | A | 38.5 | Very low | 33.3 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | -115 | 166.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1654 | T | 35.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | cis | -173 | 148.5 | -36.2 | 39.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 1655 | N | 36.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | | | trans | 70.4 | 142.1 | 167.2 | -50.9 | -25.6 | 0 | 0 | 0 | 116.1 | | |
| 1656 | T | 37.1 | Very low | 33.5 | Very low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | | | cis | -169.9 | 138.7 | -18.1 | 31.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1657 | T | 36.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 77% | 0.767 | 74% | 0.742 | S | S | * | * | | | cis | -141.7 | -88.3 | -11.3 | 15.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1658 | T | 36.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | | | cis | -159.7 | 143.9 | -17.8 | -32.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1659 | T | 36.5 | Very low | 33.8 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | 43.1 | 111.8 | 171.1 | 52.4 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1660 | G | 32.9 | Very low | 34 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -168.5 | -22.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1661 | T | 33.5 | Very low | 34.2 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | | | trans | 61.1 | 127.9 | 172.8 | 44.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1662 | V | 31.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 123 Ų | 123 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | | | trans | 83.8 | 133.1 | 147.1 | 173.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1663 | N | 33.3 | Very low | 34.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | trans | 64.6 | 148.1 | 176.8 | -71.2 | 32.3 | 0 | 0 | 0 | 116.3 | | |
| 1664 | D | 31.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | | | cis | -157.5 | 154.2 | -5.4 | -116.2 | -31.9 | 0 | 0 | 0 | 110.8 | | |
| 1665 | M | 29.4 | Very low | 34.1 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | | | trans | 61.9 | 160.7 | 151.2 | -71.1 | -178.5 | 122 | 0 | 0 | 119.3 | | |
| 1666 | L | 34.6 | Very low | 34.1 | Very low | 130 Ų | 130 | 127 Ų | 127 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | cis | -151.7 | 169.2 | 4.1 | -126.3 | 158.3 | 0 | 0 | 0 | 109.9 | | |
| 1667 | D | 32.8 | Very low | 33.9 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | | | trans | 63.3 | 155.3 | 171.4 | -91 | 44.5 | 0 | 0 | 0 | 116.9 | | |
| 1668 | N | 32.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | cis | -162.1 | 163.5 | -32.9 | -124.9 | -28.1 | 0 | 0 | 0 | 106.6 | | |
| 1669 | S | 32.2 | Very low | 33.7 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | cis | -137.1 | -145.4 | -0.4 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1670 | D | 33.6 | Very low | 33.6 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | cis | -156.4 | -160.1 | 8.9 | -148 | -86.7 | 0 | 0 | 0 | 111.2 | | |
| 1671 | L | 34.4 | Very low | 33.6 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -70.7 | 162.4 | 177.3 | -71.8 | 163.5 | 0 | 0 | 0 | 114 | | |
| 1672 | P | 39.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | cis | -133.9 | -178.3 | -19.4 | 38.4 | -21.9 | 0 | 0 | 0 | 113.5 | | |
| 1673 | I | 40.4 | Very low | 33.8 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 86% | 0.862 | 76% | 0.758 | S | S | * | * | | | | -173.7 | 133.9 | 125.5 | -95.9 | 154.6 | 0 | 0 | 0 | 108.9 | | |
| 1674 | D | 30.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | -98.7 | 143.8 | -172.8 | -178.2 | 33.2 | 0 | 0 | 0 | 113.5 | | |
| 1675 | L | 29.8 | Very low | 33.9 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -110.1 | 83.1 | 171.9 | -98.7 | 171.6 | 0 | 0 | 0 | 109.6 | A1677 | L1675-A1677 PolarHBondContact O-N 3.02Š|
| 1676 | S | 36.4 | Very low | 34.3 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -74.4 | 66.8 | 172.9 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1677 | A | 34 | Very low | 34.2 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | | | trans | -69.8 | 146.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L1675 | L1675-A1677 PolarHBondContact O-N 3.02Š|
| 1678 | K | 36.7 | Very low | 34.4 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | -156.9 | 101.2 | 143 | -103.8 | 128.7 | -164 | 151.2 | 0 | 112.2 | | |
| 1679 | R | 31.4 | Very low | 34.5 | Very low | 325 Ų | 325 | 150.2 Ų | 150.2 | 100% | 1.226 | 79% | 0.79 | S | S | * | * | | | trans | -109.4 | 0 | 144.8 | -92.5 | -174.3 | 170.1 | -179.2 | -2 | 107.8 | | |