| 1 | M | 57.5 | Low | 77.3 | Confident | 216 Ų | 216 | 117.2 Ų | 117.2 | 100% | 1.064 | 62% | 0.619 | S | S | * | * | | | | 0 | 125.3 | 0 | -83 | 64.6 | -175 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 3.31Š|
| 2 | D | 64.6 | Low | 78.6 | Confident | 138 Ų | 138 | 115.6 Ų | 115.6 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | | | trans | -107.9 | 84.5 | -144.1 | -60.4 | -95.7 | 0 | 0 | 0 | 109 | Y4 D5 | D2-Y4 PolarHBondContact O-N 3.05Å; D2-D5 PolarHBondContact O-N 3.09Å; D2-D5 VanDerWaalsContact O-N 3.12Å |
| 3 | I | 64.8 | Low | 79.7 | Confident | 135 Ų | 135 | 114.1 Ų | 114.1 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -15.1 | -179.4 | -61.8 | 172.3 | 0 | 0 | 0 | 111.8 | M1 | M1-I3 PolarHBondContact O-N 3.31Š|
| 4 | Y | 70.4 | Confident | 80.7 | Confident | 202 Ų | 202 | 115.1 Ų | 115.1 | 79% | 0.792 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 9.6 | 179.9 | -63.1 | -75.8 | 0 | 0 | 0 | 115.3 | D2 T6 | D2-Y4 PolarHBondContact O-N 3.05Å; Y4-T6 PolarHBondContact O-N 3.25Å; Y4-T6 VanDerWaalsContact O-N 3.13Å |
| 5 | D | 83.3 | Confident | 81.7 | Confident | 70 Ų | 70 | 109.5 Ų | 109.5 | 37% | 0.374 | 59% | 0.592 | S | S | . | * | | | trans | -56.3 | 120.6 | 165.6 | 159 | 44.4 | 0 | 0 | 0 | 110 | D2 Q7 T8 L9 | D2-D5 PolarHBondContact O-N 3.09Å; D2-D5 VanDerWaalsContact O-N 3.12Å; D5-Q7 PolarHBondContact O-N 3.03Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 PolarHBondContact OD1-N 2.75Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.33Å; D5-T8 PolarHBondContact O-N 2.84Å; D5-T8 WeakPolarHBondContact OD2-CB 3.41Å; D5-T8 PolarHBondContact OD2-N 3.49Å; D5-T8 PolarHBondContact OD2-OG1 3Å; D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.42Å |
| 6 | T | 80 | Confident | 82.6 | Confident | 117 Ų | 117 | 104.9 Ų | 104.9 | 72% | 0.718 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.1 | -29.4 | -178.7 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | Y4 G10 | Y4-T6 PolarHBondContact O-N 3.25Å; Y4-T6 VanDerWaalsContact O-N 3.13Å; T6-G10 PolarHBondContact O-N 3.14Å |
| 7 | Q | 80.9 | Confident | 83.4 | Confident | 116 Ų | 116 | 107.1 Ų | 107.1 | 54% | 0.542 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -72.1 | -46.7 | 176.1 | -169 | 175.4 | 159 | 0 | 0 | 111.3 | D5 G10 V11 | D5-Q7 PolarHBondContact O-N 3.03Å; D5-Q7 VanDerWaalsContact O-N 3.12Å; D5-Q7 PolarHBondContact OD1-N 2.75Å; D5-Q7 WeakPolarHBondContact OD2-CB 3.33Å; Q7-G10 PolarHBondContact O-N 3.27Å; Q7-V11 WeakPolarHBondContact O-CG2 3.42Å; Q7-V11 PolarHBondContact O-N 3.11Å |
| 8 | T | 83.1 | Confident | 84.2 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -46.3 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | D5 G10 V11 V12 | D5-T8 PolarHBondContact O-N 2.84Å; D5-T8 WeakPolarHBondContact OD2-CB 3.41Å; D5-T8 PolarHBondContact OD2-N 3.49Å; D5-T8 PolarHBondContact OD2-OG1 3Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 2.95Å; T8-V11 PolarHBondContact O-N 3.43Å; T8-V11 VanDerWaalsContact O-N 3.16Å; T8-V12 WeakPolarHBondContact O-CG2 3.38Å; T8-V12 PolarHBondContact O-N 3.09Å |
| 9 | L | 87.3 | Confident | 84.8 | Confident | 84 Ų | 84 | 106 Ų | 106 | 44% | 0.44 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.8 | -43.7 | 174.3 | -169.6 | 78.7 | 0 | 0 | 0 | 111.2 | D5 V11 V12 V13 | D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 3.42Å; L9-V11 PolarHBondContact O-N 3.11Å; L9-V12 PolarHBondContact O-N 2.85Å; L9-V13 HydrophobicContact CG-CG2 4.4Å; L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.07Å |
| 10 | G | 90.1 | Very high | 85.4 | Confident | 38 Ų | 38 | 105.8 Ų | 105.8 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.6 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | T6 Q7 T8 F14 | T6-G10 PolarHBondContact O-N 3.14Å; Q7-G10 PolarHBondContact O-N 3.27Å; T8-G10 VanDerWaalsContact C-N 3.3Å; T8-G10 PolarHBondContact O-N 2.95Å; G10-F14 WeakPolarHBondContact O-CB 3.36Å; G10-F14 PolarHBondContact O-N 3.03Å |
| 11 | V | 88.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.2 | -42 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | Q7 T8 L9 G15 | Q7-V11 WeakPolarHBondContact O-CG2 3.42Å; Q7-V11 PolarHBondContact O-N 3.11Å; T8-V11 PolarHBondContact O-N 3.43Å; T8-V11 VanDerWaalsContact O-N 3.16Å; L9-V11 PolarHBondContact O-N 3.11Å; V11-G15 PolarHBondContact O-N 2.93Å |
| 12 | V | 92.2 | Very high | 87.8 | Confident | 98 Ų | 98 | 95 Ų | 95 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | T8 L9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.38Å; T8-V12 PolarHBondContact O-N 3.09Å; L9-V12 PolarHBondContact O-N 2.85Å; V12-G16 PolarHBondContact O-N 2.76Å |
| 13 | V | 93.4 | Very high | 89.3 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 58% | 0.582 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -44 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L9 F17 | L9-V13 HydrophobicContact CG-CG2 4.4Å; L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 VanDerWaalsContact O-CG2 3.32Å; L9-V13 WeakPolarHBondContact O-CG2 3.21Å; L9-V13 PolarHBondContact O-N 3.07Å; V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 3.49Å |
| 14 | F | 93.1 | Very high | 90.8 | Very high | 128 Ų | 128 | 88 Ų | 88 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -43 | 178.3 | -176.6 | -102.2 | 0 | 0 | 0 | 112.2 | G10 F17 M18 | G10-F14 WeakPolarHBondContact O-CB 3.36Å; G10-F14 PolarHBondContact O-N 3.03Å; F14-F17 PolarHBondContact O-N 2.84Å; F14-M18 HydrophobicContact CD1-CG 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.9Å; F14-M18 HydrophobicContact CE1-CG 4.09Å; F14-M18 HydrophobicContact CE2-CE 4.08Å; F14-M18 HydrophobicContact CZ-CE 3.4Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 WeakPolarHBondContact O-CB 3.48Å; F14-M18 WeakPolarHBondContact O-CG 3.47Å; F14-M18 PolarHBondContact O-N 3.42Å |
| 15 | G | 95.9 | Very high | 91.9 | Very high | 32 Ų | 32 | 83.8 Ų | 83.8 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 M18 V19 | V11-G15 PolarHBondContact O-N 2.93Å; G15-M18 PolarHBondContact O-N 2.75Å; G15-V19 WeakPolarHBondContact O-CG2 3.19Å; G15-V19 PolarHBondContact O-N 3.29Å |
| 16 | G | 96.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 87 Ų | 87 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 V19 V20 | V12-G16 PolarHBondContact O-N 2.76Å; G16-V19 PolarHBondContact O-N 3.14Å; G16-V20 WeakPolarHBondContact O-CB 3.1Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.28Å; G16-V20 PolarHBondContact O-N 3.39Å |
| 17 | F | 96.1 | Very high | 93.1 | Very high | 141 Ų | 141 | 85.7 Ų | 85.7 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 176 | -177.1 | -97.1 | 0 | 0 | 0 | 112.5 | V13 F14 S21 | V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 3.49Å; F14-F17 PolarHBondContact O-N 2.84Å; F17-S21 WeakPolarHBondContact CE1-OG 3.38Å; F17-S21 WeakPolarHBondContact O-CB 3.47Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.82Å |
| 18 | M | 96.3 | Very high | 93.5 | Very high | 105 Ų | 105 | 84.7 Ų | 84.7 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.2 | -84.6 | -72.3 | -171.9 | 0 | 0 | 111.8 | F14 G15 S21 A22 | F14-M18 HydrophobicContact CD1-CG 4.36Å; F14-M18 HydrophobicContact CE1-CE 3.9Å; F14-M18 HydrophobicContact CE1-CG 4.09Å; F14-M18 HydrophobicContact CE2-CE 4.08Å; F14-M18 HydrophobicContact CZ-CE 3.4Å; F14-M18 HydrophobicContact CZ-CG 4.28Å; F14-M18 WeakPolarHBondContact O-CB 3.48Å; F14-M18 WeakPolarHBondContact O-CG 3.47Å; F14-M18 PolarHBondContact O-N 3.42Å; G15-M18 PolarHBondContact O-N 2.75Å; M18-S21 PolarHBondContact O-N 2.74Å; M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 2.96Å |
| 19 | V | 97.4 | Very high | 93.8 | Very high | 89 Ų | 89 | 84.4 Ų | 84.4 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | G15 G16 S21 A22 I23 | G15-V19 WeakPolarHBondContact O-CG2 3.19Å; G15-V19 PolarHBondContact O-N 3.29Å; G16-V19 PolarHBondContact O-N 3.14Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.4Å; V19-A22 PolarHBondContact O-N 3.3Å; V19-I23 HydrophobicContact CG1-CD1 3.8Å; V19-I23 WeakPolarHBondContact O-CB 3.21Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.23Å; V19-I23 PolarHBondContact O-N 3.43Å |
| 20 | V | 96.8 | Very high | 93.8 | Very high | 101 Ų | 101 | 82.9 Ų | 82.9 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | G16 I23 G24 | G16-V20 WeakPolarHBondContact O-CB 3.1Å; G16-V20 VanDerWaalsContact O-CG2 3.31Å; G16-V20 WeakPolarHBondContact O-CG2 3.28Å; G16-V20 PolarHBondContact O-N 3.39Å; V20-I23 PolarHBondContact O-N 2.9Å; V20-G24 PolarHBondContact O-N 3.11Å |
| 21 | S | 96 | Very high | 93.3 | Very high | 38 Ų | 38 | 87 Ų | 87 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | F17 M18 V19 G24 I25 | F17-S21 WeakPolarHBondContact CE1-OG 3.38Å; F17-S21 WeakPolarHBondContact O-CB 3.47Å; F17-S21 PolarHBondContact O-N 3.4Å; F17-S21 PolarHBondContact O-OG 2.82Å; M18-S21 PolarHBondContact O-N 2.74Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-S21 PolarHBondContact O-N 3.4Å; S21-G24 PolarHBondContact O-N 2.72Å; S21-I25 WeakPolarHBondContact O-CB 3.27Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 2.74Å |
| 22 | A | 96.4 | Very high | 92.9 | Very high | 59 Ų | 59 | 85 Ų | 85 | 49% | 0.488 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M18 V19 F26 | M18-A22 WeakPolarHBondContact O-CB 3.37Å; M18-A22 PolarHBondContact O-N 2.96Å; V19-A22 PolarHBondContact O-N 3.3Å; A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 2.88Å |
| 23 | I | 96.5 | Very high | 91.8 | Very high | 93 Ų | 93 | 87.5 Ų | 87.5 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 173.4 | -68 | 166.1 | 0 | 0 | 0 | 110.7 | V19 V20 F26 L27 | V19-I23 HydrophobicContact CG1-CD1 3.8Å; V19-I23 WeakPolarHBondContact O-CB 3.21Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.23Å; V19-I23 PolarHBondContact O-N 3.43Å; V20-I23 PolarHBondContact O-N 2.9Å; I23-F26 PolarHBondContact O-N 3.3Å; I23-L27 HydrophobicContact CG2-CD1 3.83Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.35Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.33Å; I23-L27 PolarHBondContact O-N 3.38Å |
| 24 | G | 96.2 | Very high | 90.3 | Very high | 31 Ų | 31 | 89.4 Ų | 89.4 | 32% | 0.32 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V20 S21 L27 V28 | V20-G24 PolarHBondContact O-N 3.11Å; S21-G24 PolarHBondContact O-N 2.72Å; G24-L27 PolarHBondContact O-N 3.33Å; G24-V28 WeakPolarHBondContact O-CG2 3.28Å; G24-V28 PolarHBondContact O-N 3.18Å |
| 25 | I | 94 | Very high | 88.8 | Confident | 114 Ų | 114 | 89.1 Ų | 89.1 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 176.6 | -66.4 | 164.2 | 0 | 0 | 0 | 110.8 | S21 S29 | S21-I25 WeakPolarHBondContact O-CB 3.27Å; S21-I25 VanDerWaalsContact O-CG1 3.28Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 2.74Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.39Å; I25-S29 PolarHBondContact O-OG 3.3Å |
| 26 | F | 93.6 | Very high | 87 | Confident | 139 Ų | 139 | 92.2 Ų | 92.2 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -42.9 | 175 | 179.3 | -95.4 | 0 | 0 | 0 | 111.8 | A22 I23 S29 T30 | A22-F26 WeakPolarHBondContact O-CB 3.36Å; A22-F26 PolarHBondContact O-N 2.88Å; I23-F26 PolarHBondContact O-N 3.3Å; F26-S29 PolarHBondContact O-N 3.5Å; F26-T30 HydrophobicContact CE1-CG2 4.41Å; F26-T30 WeakPolarHBondContact O-CB 3.31Å; F26-T30 WeakPolarHBondContact O-CG2 3.28Å; F26-T30 PolarHBondContact O-N 3.21Å |
| 27 | L | 93.4 | Very high | 85.6 | Confident | 88 Ų | 88 | 94 Ų | 94 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 176.4 | -75 | 174.5 | 0 | 0 | 0 | 111.6 | I23 G24 F31 | I23-L27 HydrophobicContact CG2-CD1 3.83Å; I23-L27 HydrophobicContact CG2-CG 4.24Å; I23-L27 WeakPolarHBondContact O-CB 3.35Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.33Å; I23-L27 PolarHBondContact O-N 3.38Å; G24-L27 PolarHBondContact O-N 3.33Å; L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.27Å; L27-F31 PolarHBondContact O-N 2.88Å |
| 28 | V | 90 | Very high | 84 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | G24 F31 S32 | G24-V28 WeakPolarHBondContact O-CG2 3.28Å; G24-V28 PolarHBondContact O-N 3.18Å; V28-F31 PolarHBondContact O-N 3.33Å; V28-S32 WeakPolarHBondContact O-CB 3.31Å; V28-S32 PolarHBondContact O-N 3.31Å; V28-S32 PolarHBondContact O-OG 2.96Å |
| 29 | S | 89.4 | Confident | 82.7 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 47% | 0.469 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | -178.4 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | I25 F26 M33 | I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.39Å; I25-S29 PolarHBondContact O-OG 3.3Å; F26-S29 PolarHBondContact O-N 3.5Å; S29-M33 WeakPolarHBondContact O-CB 3.19Å; S29-M33 PolarHBondContact O-N 2.81Å |
| 30 | T | 86.5 | Confident | 81.3 | Confident | 52 Ų | 52 | 97.5 Ų | 97.5 | 32% | 0.319 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.5 | -28.8 | 176.2 | -156.1 | 0 | 0 | 0 | 0 | 112.2 | F26 K34 | F26-T30 HydrophobicContact CE1-CG2 4.41Å; F26-T30 WeakPolarHBondContact O-CB 3.31Å; F26-T30 WeakPolarHBondContact O-CG2 3.28Å; F26-T30 PolarHBondContact O-N 3.21Å; T30-K34 WeakPolarHBondContact O-CB 3.36Å; T30-K34 PolarHBondContact O-N 2.99Å |
| 31 | F | 81 | Confident | 80 | Confident | 123 Ų | 123 | 95.3 Ų | 95.3 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72 | -47.8 | 169.9 | -98.1 | -93.2 | 0 | 0 | 0 | 112.3 | L27 V28 M33 K34 E35 | L27-F31 VanDerWaalsContact O-CB 3.31Å; L27-F31 WeakPolarHBondContact O-CB 3.27Å; L27-F31 PolarHBondContact O-N 2.88Å; V28-F31 PolarHBondContact O-N 3.33Å; F31-M33 VanDerWaalsContact C-N 3.27Å; F31-M33 PolarHBondContact O-N 2.8Å; F31-K34 CarbonylContact O-C 3.35Å; F31-K34 VanDerWaalsContact O-CA 3.28Å; F31-K34 WeakPolarHBondContact O-CA 3.36Å; F31-K34 VanDerWaalsContact O-CB 3.31Å; F31-K34 WeakPolarHBondContact O-CB 3.32Å; F31-K34 PolarHBondContact O-N 2.88Å; F31-E35 WeakPolarHBondContact O-CG 3.48Å; F31-E35 PolarHBondContact O-N 3.42Å |
| 32 | S | 79.1 | Confident | 78.8 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -32.9 | 176.2 | -62 | 0 | 0 | 0 | 0 | 112.6 | V28 K34 E35 T36 | V28-S32 WeakPolarHBondContact O-CB 3.31Å; V28-S32 PolarHBondContact O-N 3.31Å; V28-S32 PolarHBondContact O-OG 2.96Å; S32-K34 VanDerWaalsContact C-N 3.31Å; S32-E35 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-N 3.27Å |
| 33 | M | 69.3 | Low | 77.7 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 74% | 0.739 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.8 | -21.2 | 170.1 | -171.3 | 175.4 | 177.3 | 0 | 0 | 113.2 | S29 F31 T36 | S29-M33 WeakPolarHBondContact O-CB 3.19Å; S29-M33 PolarHBondContact O-N 2.81Å; F31-M33 VanDerWaalsContact C-N 3.27Å; F31-M33 PolarHBondContact O-N 2.8Å; M33-T36 PolarHBondContact O-OG1 3.42Å |
| 34 | K | 63.2 | Low | 76.6 | Confident | 135 Ų | 135 | 94 Ų | 94 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83.2 | -28.8 | 166.8 | -96.4 | -177.2 | 170.6 | -179.4 | 0 | 113.1 | T30 F31 S32 S37 Y38 | T30-K34 WeakPolarHBondContact O-CB 3.36Å; T30-K34 PolarHBondContact O-N 2.99Å; F31-K34 CarbonylContact O-C 3.35Å; F31-K34 VanDerWaalsContact O-CA 3.28Å; F31-K34 WeakPolarHBondContact O-CA 3.36Å; F31-K34 VanDerWaalsContact O-CB 3.31Å; F31-K34 WeakPolarHBondContact O-CB 3.32Å; F31-K34 PolarHBondContact O-N 2.88Å; S32-K34 VanDerWaalsContact C-N 3.31Å; K34-S37 CarbonylContact O-C 3.53Å; K34-S37 PolarHBondContact O-N 2.96Å; K34-Y38 VanDerWaalsContact O-CB 3.27Å; K34-Y38 WeakPolarHBondContact O-CB 3.49Å; K34-Y38 PolarHBondContact O-N 3.18Å |
| 35 | E | 60.3 | Low | 75.6 | Confident | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -38.1 | -179.2 | -76.9 | -176.8 | 142.7 | 0 | 0 | 110.9 | F31 S32 S37 Y38 E39 | F31-E35 WeakPolarHBondContact O-CG 3.48Å; F31-E35 PolarHBondContact O-N 3.42Å; S32-E35 PolarHBondContact O-N 3.35Å; E35-S37 PolarHBondContact O-N 2.89Å; E35-Y38 PolarHBondContact O-N 2.84Å; E35-E39 VanDerWaalsContact O-CB 3.28Å; E35-E39 WeakPolarHBondContact O-CB 3.2Å; E35-E39 PolarHBondContact O-N 3.2Å |
| 36 | T | 58.8 | Low | 74.5 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -40.6 | 168.1 | 47 | 0 | 0 | 0 | 0 | 112.6 | S32 M33 E40 | S32-T36 PolarHBondContact O-N 3.27Å; M33-T36 PolarHBondContact O-OG1 3.42Å; T36-E40 WeakPolarHBondContact O-CB 3.28Å; T36-E40 PolarHBondContact O-N 2.83Å |
| 37 | S | 67.7 | Low | 73.6 | Confident | 72 Ų | 72 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.3 | -31.9 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 113.5 | K34 E35 A41 | K34-S37 CarbonylContact O-C 3.53Å; K34-S37 PolarHBondContact O-N 2.96Å; E35-S37 PolarHBondContact O-N 2.89Å; S37-A41 WeakPolarHBondContact O-CB 3.31Å; S37-A41 PolarHBondContact O-N 3.35Å |
| 38 | Y | 62.6 | Low | 72.1 | Confident | 167 Ų | 167 | 101.2 Ų | 101.2 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78 | -38.1 | 178.2 | -171.4 | -100.5 | 0 | 0 | 0 | 111.6 | K34 E35 A41 L42 | K34-Y38 VanDerWaalsContact O-CB 3.27Å; K34-Y38 WeakPolarHBondContact O-CB 3.49Å; K34-Y38 PolarHBondContact O-N 3.18Å; E35-Y38 PolarHBondContact O-N 2.84Å; Y38-A41 PolarHBondContact O-N 2.91Å; Y38-L42 PolarHBondContact O-N 2.83Å |
| 39 | E | 69.7 | Low | 70.4 | Confident | 129 Ų | 129 | 101.6 Ų | 101.6 | 60% | 0.603 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.3 | -45.5 | 169.2 | -153.6 | -76.1 | 142.2 | 0 | 0 | 109.9 | E35 A41 L42 A43 | E35-E39 VanDerWaalsContact O-CB 3.28Å; E35-E39 WeakPolarHBondContact O-CB 3.2Å; E35-E39 PolarHBondContact O-N 3.2Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-A41 PolarHBondContact O-N 2.72Å; E39-L42 PolarHBondContact O-N 3.47Å; E39-A43 WeakPolarHBondContact O-CB 3.43Å; E39-A43 PolarHBondContact O-N 3.48Å |
| 40 | E | 65.9 | Low | 69.1 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 172.7 | 179 | 169.9 | -162.8 | 0 | 0 | 112.5 | T36 A43 N44 | T36-E40 WeakPolarHBondContact O-CB 3.28Å; T36-E40 PolarHBondContact O-N 2.83Å; E40-A43 PolarHBondContact O-N 2.85Å; E40-N44 VanDerWaalsContact CG-ND2 3.28Å; E40-N44 WeakPolarHBondContact CG-ND2 3.28Å; E40-N44 VanDerWaalsContact O-CB 3.23Å; E40-N44 WeakPolarHBondContact O-CB 3.12Å; E40-N44 PolarHBondContact O-N 2.89Å; E40-N44 PolarHBondContact O-ND2 2.8Å; E40-N44 PolarHBondContact OE1-ND2 2.94Å |
| 41 | A | 70 | Confident | 67.8 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S37 Y38 E39 N44 Q45 | S37-A41 WeakPolarHBondContact O-CB 3.31Å; S37-A41 PolarHBondContact O-N 3.35Å; Y38-A41 PolarHBondContact O-N 2.91Å; E39-A41 VanDerWaalsContact C-N 3.35Å; E39-A41 PolarHBondContact O-N 2.72Å; A41-N44 PolarHBondContact O-N 2.88Å; A41-Q45 WeakPolarHBondContact O-CB 3.33Å; A41-Q45 PolarHBondContact O-N 2.85Å |
| 42 | L | 70.7 | Confident | 66.5 | Low | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 176.2 | -137.8 | 84.1 | 0 | 0 | 0 | 111.4 | Y38 E39 R46 | Y38-L42 PolarHBondContact O-N 2.83Å; E39-L42 PolarHBondContact O-N 3.47Å; L42-R46 WeakPolarHBondContact O-CB 3.46Å; L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.39Å |
| 43 | A | 74 | Confident | 65.1 | Low | 20 Ų | 20 | 108.4 Ų | 108.4 | 17% | 0.165 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E39 E40 K47 | E39-A43 WeakPolarHBondContact O-CB 3.43Å; E39-A43 PolarHBondContact O-N 3.48Å; E40-A43 PolarHBondContact O-N 2.85Å; A43-K47 VanDerWaalsContact O-CB 3.28Å; A43-K47 WeakPolarHBondContact O-CB 3.41Å; A43-K47 WeakPolarHBondContact O-CD 3.18Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; A43-K47 PolarHBondContact O-N 2.87Å |
| 44 | N | 74 | Confident | 64 | Low | 65 Ų | 65 | 107 Ų | 107 | 35% | 0.348 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -72.1 | -41 | 175.5 | -83.7 | -31.7 | 0 | 0 | 0 | 111.5 | E40 A41 R46 K47 E48 | E40-N44 VanDerWaalsContact CG-ND2 3.28Å; E40-N44 WeakPolarHBondContact CG-ND2 3.28Å; E40-N44 VanDerWaalsContact O-CB 3.23Å; E40-N44 WeakPolarHBondContact O-CB 3.12Å; E40-N44 PolarHBondContact O-N 2.89Å; E40-N44 PolarHBondContact O-ND2 2.8Å; E40-N44 PolarHBondContact OE1-ND2 2.94Å; A41-N44 PolarHBondContact O-N 2.88Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.72Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 PolarHBondContact O-N 3.34Å; N44-K47 VanDerWaalsContact O-N 3.14Å; N44-E48 WeakPolarHBondContact O-CB 3.39Å; N44-E48 PolarHBondContact O-N 3.33Å |
| 45 | Q | 74.6 | Confident | 63.3 | Low | 106 Ų | 106 | 108.7 Ų | 108.7 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 174.4 | -161.5 | -104.7 | -10.9 | 0 | 0 | 111.3 | A41 E48 M49 | A41-Q45 WeakPolarHBondContact O-CB 3.33Å; A41-Q45 PolarHBondContact O-N 2.85Å; Q45-E48 PolarHBondContact O-N 2.84Å; Q45-M49 WeakPolarHBondContact O-CG 3.35Å; Q45-M49 PolarHBondContact O-N 2.86Å; Q45-M49 VanDerWaalsContact O-N 3.14Å; Q45-M49 VanDerWaalsContact OE1-CE 3.27Å |
| 46 | R | 70.5 | Confident | 62.3 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 64% | 0.642 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -43.7 | 170.2 | -73.3 | 175.4 | 175.1 | 179.1 | -0.9 | 113.1 | L42 N44 E48 A50 | L42-R46 WeakPolarHBondContact O-CB 3.46Å; L42-R46 WeakPolarHBondContact O-CG 3.32Å; L42-R46 PolarHBondContact O-N 3.39Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 2.72Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-E48 PolarHBondContact O-N 3.35Å; R46-A50 WeakPolarHBondContact O-CB 3.35Å; R46-A50 PolarHBondContact O-N 2.86Å |
| 47 | K | 74.1 | Confident | 61.6 | Low | 110 Ų | 110 | 110.7 Ų | 110.7 | 48% | 0.478 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -32.8 | 176.8 | -78.9 | 165.6 | -178 | 164.8 | 0 | 112.4 | A43 N44 K51 | A43-K47 VanDerWaalsContact O-CB 3.28Å; A43-K47 WeakPolarHBondContact O-CB 3.41Å; A43-K47 WeakPolarHBondContact O-CD 3.18Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; A43-K47 PolarHBondContact O-N 2.87Å; N44-K47 CarbonylContact O-C 3.53Å; N44-K47 PolarHBondContact O-N 3.34Å; N44-K47 VanDerWaalsContact O-N 3.14Å; K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 WeakPolarHBondContact O-CD 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.21Å; K47-K51 PolarHBondContact O-N 2.83Å |
| 48 | E | 62.7 | Low | 60.2 | Low | 137 Ų | 137 | 114.4 Ų | 114.4 | 64% | 0.64 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.5 | -51.8 | 178.2 | -168.1 | 175.9 | 143.5 | 0 | 0 | 110.1 | N44 Q45 R46 A50 K51 T52 | N44-E48 WeakPolarHBondContact O-CB 3.39Å; N44-E48 PolarHBondContact O-N 3.33Å; Q45-E48 PolarHBondContact O-N 2.84Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-E48 PolarHBondContact O-N 3.35Å; E48-A50 VanDerWaalsContact C-N 3.26Å; E48-A50 PolarHBondContact O-N 3.33Å; E48-K51 PolarHBondContact O-N 3.3Å; E48-K51 VanDerWaalsContact O-N 3.11Å; E48-T52 PolarHBondContact O-N 2.9Å; E48-T52 PolarHBondContact O-OG1 2.92Å; E48-T52 VanDerWaalsContact O-OG1 3.05Å |
| 49 | M | 55.5 | Low | 59.3 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 51% | 0.512 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.2 | -34.8 | 174.1 | -66.4 | -173.5 | -63.9 | 0 | 0 | 112.9 | Q45 T52 | Q45-M49 WeakPolarHBondContact O-CG 3.35Å; Q45-M49 PolarHBondContact O-N 2.86Å; Q45-M49 VanDerWaalsContact O-N 3.14Å; Q45-M49 VanDerWaalsContact OE1-CE 3.27Å; M49-T52 WeakPolarHBondContact CA-OG1 3.44Å; M49-T52 PolarHBondContact O-OG1 3.45Å |
| 50 | A | 60.3 | Low | 58 | Low | 58 Ų | 58 | 119.9 Ų | 119.9 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.2 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R46 E48 H53 H54 | R46-A50 WeakPolarHBondContact O-CB 3.35Å; R46-A50 PolarHBondContact O-N 2.86Å; E48-A50 VanDerWaalsContact C-N 3.26Å; E48-A50 PolarHBondContact O-N 3.33Å; A50-H53 WeakPolarHBondContact O-CB 3.11Å; A50-H53 PolarHBondContact O-N 3.28Å; A50-H53 VanDerWaalsContact O-N 3.09Å; A50-H54 PolarHBondContact O-N 3.12Å; A50-H54 VanDerWaalsContact O-N 3.11Å |
| 51 | K | 59.2 | Low | 56.9 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.4 | -31.7 | 179.9 | -77.4 | 167.3 | -177 | 177.2 | 0 | 112.5 | K47 E48 H53 H54 Q55 | K47-K51 WeakPolarHBondContact O-CB 3.46Å; K47-K51 WeakPolarHBondContact O-CD 3.45Å; K47-K51 WeakPolarHBondContact O-CG 3.21Å; K47-K51 PolarHBondContact O-N 2.83Å; E48-K51 PolarHBondContact O-N 3.3Å; E48-K51 VanDerWaalsContact O-N 3.11Å; K51-H53 PolarHBondContact O-N 3.13Å; K51-H54 PolarHBondContact O-N 2.99Å; K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 PolarHBondContact O-N 2.85Å; K51-Q55 VanDerWaalsContact O-N 3.09Å |
| 52 | T | 54.4 | Low | 55.4 | Low | 106 Ų | 106 | 131.2 Ų | 131.2 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -20 | 170.2 | 40.9 | 0 | 0 | 0 | 0 | 113.2 | E48 M49 | E48-T52 PolarHBondContact O-N 2.9Å; E48-T52 PolarHBondContact O-OG1 2.92Å; E48-T52 VanDerWaalsContact O-OG1 3.05Å; M49-T52 WeakPolarHBondContact CA-OG1 3.44Å; M49-T52 PolarHBondContact O-OG1 3.45Å |
| 53 | H | 49.7 | Very low | 53.9 | Low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.718 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -88.6 | -50.7 | 171.8 | -159 | -102.3 | 0 | 0 | 0 | 112.3 | A50 K51 | A50-H53 WeakPolarHBondContact O-CB 3.11Å; A50-H53 PolarHBondContact O-N 3.28Å; A50-H53 VanDerWaalsContact O-N 3.09Å; K51-H53 PolarHBondContact O-N 3.13Å |
| 54 | H | 47.2 | Very low | 52.4 | Low | 120 Ų | 120 | 145 Ų | 145 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -76.4 | -26.4 | -171.6 | -112.9 | -97.6 | 0 | 0 | 0 | 115.7 | A50 K51 K56 G57 E58 | A50-H54 PolarHBondContact O-N 3.12Å; A50-H54 VanDerWaalsContact O-N 3.11Å; K51-H54 PolarHBondContact O-N 2.99Å; H54-K56 PolarHBondContact O-N 2.85Å; H54-G57 PolarHBondContact O-N 3.12Å; H54-E58 IonicContact CE1-OE2 2.75Å; H54-E58 PolarHBondContact CE1-OE2 3.06Å; H54-E58 IonicContact CG-OE2 2.76Å; H54-E58 IonicContact ND1-OE2 3.49Å; H54-E58 PolarHBondContact ND1-OE2 2.81Å |
| 55 | Q | 47.2 | Very low | 51 | Low | 171 Ų | 171 | 148.5 Ų | 148.5 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -0.8 | -175.6 | -145.7 | -173.4 | 112.3 | 0 | 0 | 114.5 | K51 | K51-Q55 WeakPolarHBondContact O-CB 3.36Å; K51-Q55 PolarHBondContact O-N 2.85Å; K51-Q55 VanDerWaalsContact O-N 3.09Å |
| 56 | K | 39.5 | Very low | 49.5 | Very low | 204 Ų | 204 | 149.8 Ų | 149.8 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -8.6 | 169 | -78 | -175.6 | 174.4 | 178.2 | 0 | 114.6 | H54 | H54-K56 PolarHBondContact O-N 2.85Š|
| 57 | G | 43.2 | Very low | 48.3 | Very low | 57 Ų | 57 | 150 Ų | 150 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -42.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | H54 | H54-G57 PolarHBondContact O-N 3.12Š|
| 58 | E | 40.3 | Very low | 47.2 | Very low | 151 Ų | 151 | 155 Ų | 155 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -111.9 | 46.5 | -149.8 | -64.5 | -178.8 | 85.1 | 0 | 0 | 115.6 | H54 | H54-E58 IonicContact CE1-OE2 2.75Å; H54-E58 PolarHBondContact CE1-OE2 3.06Å; H54-E58 IonicContact CG-OE2 2.76Å; H54-E58 IonicContact ND1-OE2 3.49Å; H54-E58 PolarHBondContact ND1-OE2 2.81Å |
| 59 | K | 43.5 | Very low | 46.1 | Very low | 206 Ų | 206 | 158.7 Ų | 158.7 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -130.6 | 24.5 | 175.4 | -93.6 | -172.6 | 175.9 | 179.2 | 0 | 115.6 | | |
| 60 | K | 41.6 | Very low | 45.7 | Very low | 204 Ų | 204 | 157.4 Ų | 157.4 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -135 | 31 | -173 | -148.3 | -179.9 | -180 | -179.8 | 0 | 116.7 | | |
| 61 | K | 42.3 | Very low | 44.6 | Very low | 209 Ų | 209 | 164.4 Ų | 164.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -153.4 | 62.9 | 172.1 | -154 | 175.6 | -176.9 | 178.6 | 0 | 116.1 | | |
| 62 | K | 38.5 | Very low | 44 | Very low | 198 Ų | 198 | 164.5 Ų | 164.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -147.8 | 153.7 | 157.5 | -142.7 | 171.2 | -176.4 | 179.1 | 0 | 109.8 | | |
| 63 | E | 39.3 | Very low | 43.3 | Very low | 182 Ų | 182 | 168.5 Ų | 168.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | | | trans | 60.4 | 86.2 | 176.3 | -60.3 | -172.6 | 98.2 | 0 | 0 | 117.7 | | |
| 64 | K | 42.3 | Very low | 43.2 | Very low | 206 Ų | 206 | 170.9 Ų | 170.9 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | | | | -161.6 | 167.2 | 125.2 | -108 | 167.4 | -174.6 | -179.6 | 0 | 110.1 | | |
| 65 | T | 44.9 | Very low | 43 | Very low | 138 Ų | 138 | 172.5 Ų | 172.5 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | | | trans | 70.5 | 69.4 | -178 | -43.1 | 0 | 0 | 0 | 0 | 115 | | |
| 66 | V | 43.8 | Very low | 42.6 | Very low | 132 Ų | 132 | 171.2 Ų | 171.2 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | | | trans | -89.5 | 152.7 | 145.9 | 158.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 67 | E | 45.1 | Very low | 42.7 | Very low | 176 Ų | 176 | 169.3 Ų | 169.3 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | trans | 58.4 | 100.4 | 174.7 | -73.1 | -173.6 | 147.6 | 0 | 0 | 119.3 | | |
| 68 | K | 51.6 | Low | 43 | Very low | 213 Ų | 213 | 174.5 Ų | 174.5 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | | | | -160.6 | 158.4 | 106.4 | -111.3 | 170.3 | -176.3 | 173.5 | 0 | 113.5 | | |
| 69 | K | 38.6 | Very low | 43.6 | Very low | 215 Ų | 215 | 173.4 Ų | 173.4 | 94% | 0.935 | 83% | 0.833 | S | S | * | * | | | trans | -66.3 | 141.3 | -174.7 | -59.9 | 171.4 | -179.7 | 174.5 | 0 | 112.1 | | |
| 70 | G | 47 | Very low | 43.2 | Very low | 78 Ų | 78 | 171.5 Ų | 171.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | | | trans | -169.8 | 102.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 71 | K | 36.8 | Very low | 43.2 | Very low | 204 Ų | 204 | 164.3 Ų | 164.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -81.6 | 143.6 | 166.1 | -70.4 | 177.5 | 175.6 | 176.5 | 0 | 109.1 | | |
| 72 | T | 46.9 | Very low | 43.4 | Very low | 130 Ų | 130 | 163.8 Ų | 163.8 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | | 167 | 144.5 | 108.5 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 73 | K | 40.7 | Very low | 44.2 | Very low | 189 Ų | 189 | 159.9 Ų | 159.9 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -39 | 168.5 | 180 | -59.3 | 174.7 | 172.1 | 179.7 | 0 | 119.5 | | |
| 74 | K | 47.7 | Very low | 45 | Very low | 206 Ų | 206 | 157.7 Ų | 157.7 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | | | trans | 77.5 | 149.1 | 159.6 | -78 | -175.7 | 175.1 | -175.4 | 0 | 115.4 | | |
| 75 | K | 41.5 | Very low | 45.1 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | cis | -145.7 | 130.2 | -1.5 | -172.6 | -151.2 | 167.9 | -153.5 | 0 | 110.5 | E77 | K75-E77 IonicContact NZ-OE2 3.93Å; K75-E77 PolarHBondContact NZ-OE2 3.45Å |
| 76 | E | 38.5 | Very low | 45.3 | Very low | 143 Ų | 143 | 157.7 Ų | 157.7 | 67% | 0.668 | 80% | 0.796 | S | S | * | * | | | trans | -19 | 127.8 | 144.5 | -179.7 | -166.5 | 169.9 | 0 | 0 | 118 | | |
| 77 | E | 41.8 | Very low | 45.2 | Very low | 165 Ų | 165 | 158.9 Ų | 158.9 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | | | trans | -151.9 | 172.1 | 138.5 | -141.2 | 151.8 | 114.9 | 0 | 0 | 111.2 | K75 | K75-E77 IonicContact NZ-OE2 3.93Å; K75-E77 PolarHBondContact NZ-OE2 3.45Å |
| 78 | K | 50.5 | Low | 45.6 | Very low | 165 Ų | 165 | 156.6 Ų | 156.6 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | | | trans | -110 | 153.6 | -147.3 | -68.2 | 173.2 | -178.3 | 171.2 | 0 | 115.6 | | |
| 79 | P | 52.7 | Low | 45.1 | Very low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | trans | -81.8 | 124.5 | 176.9 | 32.5 | -33.9 | 0 | 0 | 0 | 113 | | |
| 80 | N | 34.5 | Very low | 45.6 | Very low | 166 Ų | 166 | 148.6 Ų | 148.6 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -167.1 | 139.1 | 165.3 | -158.1 | 15.3 | 0 | 0 | 0 | 106.5 | | |
| 81 | G | 42.9 | Very low | 45.5 | Very low | 53 Ų | 53 | 151.3 Ų | 151.3 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | | | cis | 166.4 | -171.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 82 | K | 45.6 | Very low | 46.1 | Very low | 198 Ų | 198 | 147.2 Ų | 147.2 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | 70.5 | 147.9 | 177.3 | -52.6 | -178.7 | -177.8 | -173.1 | 0 | 116 | | |
| 83 | I | 56.6 | Low | 45.8 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | | | cis | -147 | 141.2 | -25.1 | -91.8 | 151.3 | 0 | 0 | 0 | 104.2 | E85 | I83-E85 HydrophobicContact CG2-CB 4.4Å; I83-E85 HydrophobicContact CG2-CG 3.32Å |
| 84 | P | 54.5 | Low | 46.1 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | -91 | 106.3 | 161.2 | 19.4 | -3.1 | 0 | 0 | 0 | 109.9 | | |
| 85 | E | 44.5 | Very low | 46.1 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | trans | -98.2 | 125.2 | 166.8 | -63.7 | -136.8 | 101.2 | 0 | 0 | 109.8 | I83 | I83-E85 HydrophobicContact CG2-CB 4.4Å; I83-E85 HydrophobicContact CG2-CG 3.32Å |
| 86 | H | 50.3 | Low | 46 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -103.9 | 82 | 172.6 | 175.3 | -58.3 | 0 | 0 | 0 | 106.3 | | |
| 87 | D | 40.5 | Very low | 46.2 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -67.1 | 145.6 | -175.4 | -160.9 | -150.1 | 0 | 0 | 0 | 111.5 | | |
| 88 | L | 53.5 | Low | 46 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -109.1 | 124.6 | -167.7 | -82.4 | 159.2 | 0 | 0 | 0 | 110.3 | P90 | L88-P90 VanDerWaalsContact C-CD 3.49Å; L88-P90 WeakPolarHBondContact O-CD 3.43Å |
| 89 | D | 42.7 | Very low | 46.1 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -117.3 | 85.6 | 168.3 | -151.2 | -23.5 | 0 | 0 | 0 | 111.3 | | |
| 90 | P | 48.5 | Very low | 45.6 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | -107.5 | 78.8 | -179.7 | 37.9 | -27.2 | 0 | 0 | 0 | 110.6 | L88 | L88-P90 VanDerWaalsContact C-CD 3.49Å; L88-P90 WeakPolarHBondContact O-CD 3.43Å |
| 91 | N | 45.6 | Very low | 46 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -136.9 | 116.6 | 172.2 | -130 | -96.5 | 0 | 0 | 0 | 116.2 | | |
| 92 | V | 49.2 | Very low | 46 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | | | trans | 19 | 113.6 | 141.1 | -170.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 93 | T | 40.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | | -162.3 | 121.9 | 119.5 | -81.6 | 0 | 0 | 0 | 0 | 111.2 | I95 | T93-I95 HydrophobicContact CG2-CD1 4.05Å; T93-I95 HydrophobicContact CG2-CG1 3.78Å |
| 94 | I | 46.1 | Very low | 44.8 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -89.9 | 106.3 | 171.4 | -59 | 167.5 | 0 | 0 | 0 | 108.2 | | |
| 95 | I | 47.3 | Very low | 44.6 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | | | trans | -132.3 | 96.9 | 161.4 | -61.5 | -178.1 | 0 | 0 | 0 | 110.8 | T93 K97 | T93-I95 HydrophobicContact CG2-CD1 4.05Å; T93-I95 HydrophobicContact CG2-CG1 3.78Å; I95-K97 HydrophobicContact CG2-CB 3.77Å |
| 96 | L | 39.2 | Very low | 44.4 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -73.9 | 114.5 | 152.1 | 176.8 | 79.1 | 0 | 0 | 0 | 108.1 | | |
| 97 | K | 43.1 | Very low | 44.4 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | -154.4 | 130.8 | 170.2 | -164.6 | 69.1 | 68.6 | 178.5 | 0 | 112.9 | I95 | I95-K97 HydrophobicContact CG2-CB 3.77Š|
| 98 | E | 37.2 | Very low | 44.5 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | | | trans | -73.9 | 144.3 | 169.7 | -59 | 161.7 | 101.8 | 0 | 0 | 111.6 | V100 | E98-V100 HydrophobicContact CB-CG2 3.81Å; E98-V100 PolarHBondContact O-N 3.16Å |
| 99 | P | 54.2 | Low | 44.3 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | trans | -79 | 103.2 | 163.5 | 31.7 | -30.7 | 0 | 0 | 0 | 110.1 | | |
| 100 | V | 41.5 | Very low | 44.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 59% | 0.594 | 77% | 0.773 | S | S | * | * | | | trans | -120.7 | 135.7 | 174.1 | -162.9 | 0 | 0 | 0 | 0 | 109.7 | E98 | E98-V100 HydrophobicContact CB-CG2 3.81Å; E98-V100 PolarHBondContact O-N 3.16Å |
| 101 | R | 43.3 | Very low | 44 | Very low | 231 Ų | 231 | 133.6 Ų | 133.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 71 | 157.4 | -179.8 | -33.2 | 177.2 | -162.3 | 178.1 | 4.8 | 112.8 | | |
| 102 | V | 42.6 | Very low | 43.6 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | cis | -131 | 157.2 | 8.8 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 103 | S | 36.1 | Very low | 43.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -61.1 | 139.6 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 104 | A | 40.4 | Very low | 43 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -160 | 104.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 105 | V | 50.3 | Low | 42.9 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | 29.7 | 96.7 | 138.2 | -170.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 106 | A | 40.8 | Very low | 42.8 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | | 69.8 | 168.2 | 124.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 107 | V | 50.8 | Low | 42.9 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | 73.1 | 111.8 | 169.7 | -164.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 108 | A | 41 | Very low | 42.8 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -90.2 | 153.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 109 | P | 50.1 | Low | 42.8 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | | -144.1 | 170.4 | 107.9 | 38.9 | -26 | 0 | 0 | 0 | 114.9 | | |
| 110 | T | 43.2 | Very low | 42.5 | Very low | 140 Ų | 140 | 126 Ų | 126 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -66.7 | 146 | 167 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 111 | S | 41.5 | Very low | 42.7 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -142.3 | 146.5 | 154.1 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 112 | V | 37.7 | Very low | 42.5 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -101 | 153.7 | 172.9 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 113 | H | 42.3 | Very low | 42.5 | Very low | 187 Ų | 187 | 122 Ų | 122 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -148.3 | 149.1 | 157.7 | -142.7 | -99 | 0 | 0 | 0 | 112 | | |
| 114 | S | 34.7 | Very low | 43.1 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -129.9 | 143.3 | -177 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 115 | S | 44.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -154.4 | 117.4 | 162.7 | 52.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 116 | V | 45 | Very low | 43 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | | 60.2 | 114.7 | 58.4 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 117 | G | 40.3 | Very low | 43.5 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | cis | 178.7 | -137.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 118 | H | 42.4 | Very low | 43 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 87 | 90.8 | 169.5 | -47.2 | 155.8 | 0 | 0 | 0 | 118.6 | | |
| 119 | T | 37.5 | Very low | 42.8 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | | | trans | -92.8 | -166.8 | 143.5 | 57.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 120 | P | 47.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | cis | -141.1 | -151.4 | 3.9 | 33.3 | -6.1 | 0 | 0 | 0 | 114.5 | | |
| 121 | I | 43.7 | Very low | 41.9 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 76.2 | 119.6 | 162.5 | -60.1 | 159.3 | 0 | 0 | 0 | 115.1 | | |
| 122 | A | 39.7 | Very low | 41.9 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | cis | 88.5 | 109.3 | 11 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 123 | T | 42.1 | Very low | 41.8 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | -166.3 | 144.6 | 152.9 | -76.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 124 | V | 49.8 | Very low | 42.2 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -158.4 | 172.6 | -168.9 | -171.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 125 | P | 46 | Very low | 42.4 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | | -112.2 | -172.9 | -55 | 38.4 | -24.3 | 0 | 0 | 0 | 112.9 | | |
| 126 | A | 41.5 | Very low | 42.9 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -153.1 | 147.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 127 | M | 51.9 | Low | 42.6 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -123.8 | -162.4 | 163.5 | -39.2 | -163.7 | -57.5 | 0 | 0 | 107.5 | | |
| 128 | P | 40.4 | Very low | 43 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | | | cis | -142 | -176.1 | 13.5 | 46 | -26.5 | 0 | 0 | 0 | 117.7 | | |
| 129 | Q | 37.5 | Very low | 43.3 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | | | trans | 63.4 | 164.4 | 160.1 | -71.9 | 171.4 | -71.4 | 0 | 0 | 117.1 | | |
| 130 | E | 41.7 | Very low | 43.7 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | cis | -120.9 | 147 | -1.1 | -79.9 | -165.8 | 95.9 | 0 | 0 | 109.9 | | |
| 131 | K | 32.6 | Very low | 43.6 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | | 67.9 | 82 | 61.6 | -164.6 | -157.9 | 176.3 | -170 | 0 | 115.3 | | |
| 132 | L | 40.5 | Very low | 43.8 | Very low | 182 Ų | 182 | 145 Ų | 145 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | trans | -135.1 | 148.7 | 152.7 | -90.3 | 178.3 | 0 | 0 | 0 | 110.9 | | |
| 133 | A | 35.6 | Very low | 43.9 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -136 | 148.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 134 | S | 52.2 | Low | 44.4 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -150.4 | 127.1 | 169.6 | 60 | 0 | 0 | 0 | 0 | 110.7 | | |
| 135 | S | 38.6 | Very low | 43.8 | Very low | 113 Ų | 113 | 155.5 Ų | 155.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -155 | 108 | 177.8 | 163.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 136 | P | 53.8 | Low | 43.4 | Very low | 127 Ų | 127 | 156.6 Ų | 156.6 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -103.1 | 120.6 | 170.5 | 2.9 | 18.6 | 0 | 0 | 0 | 111.7 | | |
| 137 | K | 38.9 | Very low | 43.6 | Very low | 203 Ų | 203 | 156.3 Ų | 156.3 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -88.5 | 138.5 | 156.2 | -82.2 | -178.5 | 174.9 | 176.7 | 0 | 108.2 | | |
| 138 | D | 48.2 | Very low | 43.1 | Very low | 119 Ų | 119 | 157 Ų | 157 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | -151.5 | 141.2 | 161.5 | -143.8 | -22.2 | 0 | 0 | 0 | 113.4 | | |
| 139 | R | 50.3 | Low | 43.4 | Very low | 198 Ų | 198 | 159 Ų | 159 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | | | trans | 63.1 | 149.2 | 161.8 | -73.9 | 136.4 | -149.8 | -132.5 | 7.9 | 121.8 | | |
| 140 | K | 45.1 | Very low | 43.5 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | | | cis | -176.8 | 127.2 | -17 | 167.8 | 166.7 | 174.5 | -178.6 | 0 | 113.2 | | |
| 141 | K | 46.2 | Very low | 43.8 | Very low | 182 Ų | 182 | 156.7 Ų | 156.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | 71.3 | 152.9 | 155 | -136.1 | 162.6 | 172.8 | 175.6 | 0 | 114.3 | | |
| 142 | K | 47.5 | Very low | 44.2 | Very low | 180 Ų | 180 | 152 Ų | 152 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | cis | -151 | 146.6 | 15 | -168 | -178.4 | 174.7 | -169.9 | 0 | 111.5 | | |
| 143 | E | 41.8 | Very low | 44.7 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | | | trans | -96.1 | 154.1 | 164.2 | -64.2 | 171.3 | 83.3 | 0 | 0 | 112.7 | | |
| 144 | K | 51.6 | Low | 45.1 | Very low | 205 Ų | 205 | 150 Ų | 150 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | | | | -167.7 | 153 | 127.7 | -117.9 | -171.3 | 176.2 | -169.3 | 0 | 112.7 | | |
| 145 | K | 37.8 | Very low | 44.7 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -117 | 179.3 | 167.4 | -80.4 | -170.8 | 174.8 | -175.1 | 0 | 110.1 | | |
| 146 | V | 37.3 | Very low | 45.1 | Very low | 142 Ų | 142 | 151 Ų | 151 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | 108.3 | 142.2 | 150.5 | -176.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 147 | A | 45.5 | Very low | 44.3 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | | | trans | 72.4 | 128.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 148 | K | 42.8 | Very low | 44.5 | Very low | 196 Ų | 196 | 148.6 Ų | 148.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | cis | 91.8 | 101.5 | 30.6 | 178.6 | 77.7 | 174.7 | 179.6 | 0 | 112.7 | | |
| 149 | V | 46.8 | Very low | 44.7 | Very low | 138 Ų | 138 | 147.4 Ų | 147.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | -162.6 | 148.2 | 146.1 | 138.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 150 | E | 39.6 | Very low | 44.6 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -129.4 | 153.8 | 169.6 | -161.2 | -169.9 | -135 | 0 | 0 | 107.2 | | |
| 151 | P | 47.9 | Very low | 44.5 | Very low | 119 Ų | 119 | 146 Ų | 146 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | | -144.1 | 159.6 | 114.6 | 37.8 | -24.5 | 0 | 0 | 0 | 114.3 | | |
| 152 | A | 40.6 | Very low | 44 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | trans | -98.4 | 148.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 153 | V | 49.8 | Very low | 43.8 | Very low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | -158.7 | 120.4 | 144.4 | -103 | 0 | 0 | 0 | 0 | 113 | | |
| 154 | S | 44 | Very low | 43.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | | 62.1 | 113.6 | 128.4 | -57.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 155 | S | 45.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | | 109.6 | 156.4 | 113 | 76.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 156 | I | 46.3 | Very low | 43.8 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | | | trans | 65 | 97.5 | 172.1 | -51 | 170.7 | 0 | 0 | 0 | 113.1 | | |
| 157 | V | 37.4 | Very low | 43.9 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | cis | 60.8 | 72.7 | 47.3 | -164.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 158 | N | 42.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | -160 | 166 | 138.9 | -131.6 | -42.8 | 0 | 0 | 0 | 114.1 | | |
| 159 | S | 51.9 | Low | 43.8 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | 62.9 | 39.1 | 165.6 | -160.9 | 0 | 0 | 0 | 0 | 119 | Q161 | S159-Q161 PolarHBondContact O-N 3.04Š|
| 160 | I | 48.1 | Very low | 43.6 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -84.9 | 73.5 | 140.5 | -55.2 | -179.9 | 0 | 0 | 0 | 107 | | |
| 161 | Q | 43.3 | Very low | 43.5 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | -89.6 | 107.2 | 173.1 | -80.8 | -150.7 | 21.3 | 0 | 0 | 111.2 | S159 | S159-Q161 PolarHBondContact O-N 3.04Š|
| 162 | V | 35.7 | Very low | 43.4 | Very low | 114 Ų | 114 | 128 Ų | 128 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | | 52.4 | 94.7 | 113 | -179.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 163 | L | 43.9 | Very low | 43.8 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | | -157.3 | 60.1 | 123.7 | -139.8 | 70.1 | 0 | 0 | 0 | 112.7 | S165 | L163-S165 PolarHBondContact O-N 3.39Å; L163-S165 VanDerWaalsContact O-N 3.1Å; L163-S165 PolarHBondContact O-OG 3.35Å |
| 164 | A | 37.5 | Very low | 43.7 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | trans | -57.5 | 116.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 165 | S | 45 | Very low | 44.2 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | -116.7 | 142.9 | -159.4 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | L163 | L163-S165 PolarHBondContact O-N 3.39Å; L163-S165 VanDerWaalsContact O-N 3.1Å; L163-S165 PolarHBondContact O-OG 3.35Å |
| 166 | K | 49.2 | Very low | 44.2 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | | | trans | 77 | 90 | 171.5 | -56.8 | -164.7 | 174.9 | -172 | 0 | 116.4 | | |
| 167 | S | 39.3 | Very low | 44.4 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | trans | -49.1 | 157 | 144.6 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 168 | A | 38.8 | Very low | 44.9 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -142.8 | -174.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 169 | I | 46 | Very low | 45.3 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | 79.7 | 104.5 | 164.4 | -56 | 172.3 | 0 | 0 | 0 | 115.4 | | |
| 170 | L | 43.8 | Very low | 45.4 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | 69.6 | 158.9 | 145.7 | -61.1 | -179 | 0 | 0 | 0 | 118.3 | | |
| 171 | E | 36.3 | Very low | 45.3 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -170.2 | 169.9 | -15.6 | 168.3 | 177.5 | 140.7 | 0 | 0 | 108.8 | | |
| 172 | A | 45.6 | Very low | 45.6 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | | | trans | 68 | 150.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 173 | T | 48.9 | Very low | 46.5 | Very low | 132 Ų | 132 | 129 Ų | 129 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | cis | -151.2 | 159.9 | -14.4 | 12.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 174 | P | 49.1 | Very low | 47.3 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -89.9 | 163.9 | -174.9 | 37.2 | -35.9 | 0 | 0 | 0 | 113.6 | | |
| 175 | K | 53.1 | Low | 47.5 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | 163.2 | 147.8 | 157.5 | -95 | -167.7 | 177.2 | -117.4 | 0 | 109.3 | | |
| 176 | E | 46.6 | Very low | 47.6 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | cis | -140.4 | 147.2 | -26.8 | -73.4 | -156.3 | 63.8 | 0 | 0 | 111.2 | | |
| 177 | V | 49.8 | Very low | 47.8 | Very low | 117 Ų | 117 | 124 Ų | 124 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | trans | -25.9 | 175.8 | 144.4 | -77.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 178 | P | 47.5 | Very low | 48.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | | | cis | -141 | -173.1 | -28.5 | 29.3 | -6.5 | 0 | 0 | 0 | 115.1 | | |
| 179 | M | 52.7 | Low | 48.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 80% | 0.803 | 76% | 0.758 | S | S | * | * | | | | 134.3 | 127.6 | 127.5 | -66.7 | -140.4 | 179.7 | 0 | 0 | 118.5 | | |
| 180 | V | 53.8 | Low | 48.6 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | | | trans | 60 | 128.7 | 137.5 | 175.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 181 | A | 45.7 | Very low | 48.7 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -159.9 | -173.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 182 | V | 50.3 | Low | 49.2 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -147 | 154.6 | -164.7 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 183 | P | 53.1 | Low | 49.1 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | cis | -101.5 | -91.9 | -9.7 | 17.4 | 5.8 | 0 | 0 | 0 | 112.8 | | |
| 184 | P | 61.4 | Low | 48.9 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | cis | -105.1 | -147.3 | -4.9 | 43.4 | -33.7 | 0 | 0 | 0 | 113.5 | | |
| 185 | V | 42.4 | Very low | 48.6 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -139.4 | 139 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 111 | | |
| 186 | G | 46.5 | Very low | 48.2 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -164.4 | 83.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 187 | S | 53.5 | Low | 48.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 27.4 | 120.5 | 151.7 | 59.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 188 | K | 47.8 | Very low | 47.8 | Very low | 202 Ų | 202 | 119.5 Ų | 119.5 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | 83.6 | 124.4 | 133.3 | -68.5 | 177.6 | 178.8 | -179.6 | 0 | 122.4 | | |
| 189 | A | 45.1 | Very low | 47.7 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | 107 | 139.7 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 190 | S | 47.7 | Very low | 47.3 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 53.5 | 101.4 | 157.4 | 46.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 191 | S | 46.2 | Very low | 46.7 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -67 | -179.1 | 139.8 | -30.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 192 | P | 46.5 | Very low | 46.5 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | cis | -133.4 | 178.3 | -3.8 | 42.3 | -26.8 | 0 | 0 | 0 | 114.4 | | |
| 193 | A | 44.6 | Very low | 45.9 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | 177.5 | 145.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 194 | T | 44 | Very low | 45.2 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -35.3 | 146.1 | 161.6 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 195 | S | 43.2 | Very low | 44.2 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | cis | -156.6 | -158.7 | 31.8 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 196 | S | 43.2 | Very low | 44.2 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | cis | -156.2 | -134.1 | 10.5 | -162.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 197 | Q | 45.2 | Very low | 43.8 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -79.4 | 154.6 | -169.7 | -59.4 | 135.9 | -74.2 | 0 | 0 | 114.5 | | |
| 198 | G | 43.9 | Very low | 43.1 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | cis | 157 | -164.3 | -7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 199 | K | 46.2 | Very low | 42.7 | Very low | 200 Ų | 200 | 132.4 Ų | 132.4 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | trans | 85.6 | 104.6 | 175.8 | -63.5 | 179.8 | 178.2 | 172 | 0 | 119.2 | | |
| 200 | K | 43.6 | Very low | 42.3 | Very low | 213 Ų | 213 | 136.1 Ų | 136.1 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | 61.3 | 134.5 | 140.3 | -56.8 | -175.7 | 177.3 | -173.2 | 0 | 119.7 | | |
| 201 | G | 40.4 | Very low | 41.7 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | cis | 150.5 | 136.7 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 202 | Q | 41.6 | Very low | 41.4 | Very low | 210 Ų | 210 | 138.1 Ų | 138.1 | 98% | 0.981 | 81% | 0.807 | S | S | * | * | | | trans | 63.4 | 142.3 | 175.6 | -59.6 | 177.9 | -8.9 | 0 | 0 | 116.1 | | |
| 203 | G | 37.2 | Very low | 40.9 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | cis | 161.2 | 146.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 204 | A | 38.9 | Very low | 40.7 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 65.9 | 154.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 205 | Q | 41.8 | Very low | 40.5 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | cis | -170.4 | 142.7 | -21.2 | 164.9 | 175.6 | -19.9 | 0 | 0 | 110.5 | | |
| 206 | N | 40.9 | Very low | 40.3 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 68% | 0.684 | 81% | 0.813 | S | S | * | * | | | trans | 60.7 | 135.1 | 167.6 | -64.9 | -5.8 | 0 | 0 | 0 | 117.8 | | |
| 207 | Q | 39.1 | Very low | 40.3 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | | | cis | 79.3 | 85.3 | 46.2 | -72 | -155.2 | 42.6 | 0 | 0 | 116.7 | | |
| 208 | A | 37.7 | Very low | 40.2 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -171.6 | 134.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 209 | K | 40.3 | Very low | 40 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | | | cis | 113.7 | 91.5 | 11.1 | -167.5 | -178.8 | -175.8 | -176.7 | 0 | 113.3 | | |
| 210 | K | 35.7 | Very low | 39.7 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 74% | 0.743 | 84% | 0.835 | S | S | * | * | | | trans | 48.7 | 144.7 | 151.9 | -84.4 | -165.7 | 171.6 | -166.6 | 0 | 122.1 | | |
| 211 | G | 36.7 | Very low | 39.5 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | | | trans | 94.4 | 147 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 212 | E | 39.9 | Very low | 39.2 | Very low | 202 Ų | 202 | 147.7 Ų | 147.7 | 94% | 0.944 | 84% | 0.839 | S | S | * | * | | | cis | -142 | 168.5 | -8.4 | -73.9 | 176.8 | 88.9 | 0 | 0 | 106.3 | | |
| 213 | G | 36 | Very low | 39 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | cis | 126.6 | 104.1 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 214 | A | 38.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | | | trans | -170 | 123.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 215 | Q | 41 | Very low | 39.1 | Very low | 195 Ų | 195 | 147.2 Ų | 147.2 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | | | trans | -153.4 | 124.1 | 144 | -151.7 | 175.8 | -64.1 | 0 | 0 | 111.4 | | |
| 216 | N | 38.9 | Very low | 38.8 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 77% | 0.77 | 85% | 0.846 | S | S | * | * | | | trans | -82.1 | 147.6 | 167.9 | -84.4 | -66.7 | 0 | 0 | 0 | 110.4 | | |
| 217 | Q | 43.4 | Very low | 38.9 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 94% | 0.935 | 86% | 0.855 | S | S | * | * | | | | 165.9 | 140.7 | 117.1 | -89.8 | 174 | 77.4 | 0 | 0 | 112.2 | | |
| 218 | G | 41.9 | Very low | 39 | Very low | 81 Ų | 81 | 144.8 Ų | 144.8 | 84% | 0.835 | 85% | 0.85 | S | S | * | * | | | trans | 163.3 | 107 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 219 | K | 41 | Very low | 39 | Very low | 205 Ų | 205 | 150.2 Ų | 150.2 | 89% | 0.891 | 86% | 0.855 | S | S | * | * | | | trans | -110.1 | 155.7 | 178 | -81 | -173 | 175.6 | -178.6 | 0 | 111.1 | | |
| 220 | K | 38.6 | Very low | 39.1 | Very low | 215 Ų | 215 | 150.5 Ų | 150.5 | 94% | 0.935 | 86% | 0.856 | S | S | * | * | | | trans | 72.6 | 151.1 | -179.9 | -53.7 | -178.3 | 176.2 | -175.8 | 0 | 113.4 | | |
| 221 | G | 38.8 | Very low | 39.2 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 74% | 0.742 | 85% | 0.852 | S | S | * | * | | | cis | -155.7 | -173.7 | 2.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 222 | E | 36.1 | Very low | 39.3 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 97% | 0.967 | 86% | 0.864 | S | S | * | * | | | trans | -60.6 | 151.3 | -172.1 | -68.3 | 150.4 | 93.4 | 0 | 0 | 115 | | |
| 223 | G | 36.4 | Very low | 39 | Very low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 86% | 0.856 | S | S | * | * | | | trans | -179.2 | 65 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q225 | G223-Q225 PolarHBondContact O-N 2.96Š|
| 224 | A | 35.9 | Very low | 39 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 93% | 0.926 | 86% | 0.863 | S | S | * | * | | | trans | -77.5 | 107.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 225 | Q | 41.5 | Very low | 39.1 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 86% | 0.864 | S | S | * | * | | | trans | -123.9 | 100.4 | 172.9 | -169.4 | 168.5 | -26.7 | 0 | 0 | 111.6 | G223 | G223-Q225 PolarHBondContact O-N 2.96Š|
| 226 | N | 36 | Very low | 38.9 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 86% | 0.861 | S | S | * | * | | | trans | -109.8 | 95 | 177.2 | -179.7 | 10.4 | 0 | 0 | 0 | 109.6 | | |
| 227 | Q | 42.5 | Very low | 39.2 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 87% | 0.869 | 87% | 0.867 | S | S | * | * | | | trans | -162.8 | 134.2 | 173.3 | -113.9 | 173.8 | 81.9 | 0 | 0 | 110 | | |
| 228 | G | 41.3 | Very low | 39 | Very low | 76 Ų | 76 | 146.7 Ų | 146.7 | 78% | 0.784 | 86% | 0.862 | S | S | * | * | | | trans | 160.7 | 24.8 | 180 | 0 | 0 | 0 | 0 | 0 | 118.4 | K230 | G228-K230 PolarHBondContact O-N 2.99Å; G228-K230 VanDerWaalsContact O-N 3.11Å |
| 229 | K | 39.2 | Very low | 38.9 | Very low | 217 Ų | 217 | 153.1 Ų | 153.1 | 94% | 0.943 | 87% | 0.866 | S | S | * | * | | | trans | -72.5 | 103.7 | 173.9 | -89.9 | -169.1 | 174.9 | -176.6 | 0 | 111.5 | | |
| 230 | K | 40.8 | Very low | 38.9 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 90% | 0.896 | 86% | 0.864 | S | S | * | * | | | trans | -134.5 | 143.8 | 144.8 | -75.7 | -170.7 | 175.6 | -174.5 | 0 | 108.1 | G228 | G228-K230 PolarHBondContact O-N 2.99Å; G228-K230 VanDerWaalsContact O-N 3.11Å |
| 231 | G | 38.4 | Very low | 38.8 | Very low | 64 Ų | 64 | 146.4 Ų | 146.4 | 66% | 0.66 | 85% | 0.853 | S | S | * | * | | | cis | 118.7 | 110.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 232 | E | 37.9 | Very low | 38.8 | Very low | 213 Ų | 213 | 152.5 Ų | 152.5 | 100% | 0.995 | 86% | 0.862 | S | S | * | * | | | trans | 67.4 | 149.3 | -179.3 | -57.6 | -175.6 | 97 | 0 | 0 | 116.2 | | |
| 233 | G | 35.5 | Very low | 38.9 | Very low | 76 Ų | 76 | 146.3 Ų | 146.3 | 78% | 0.784 | 85% | 0.854 | S | S | * | * | | | trans | 145.9 | 32 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q235 | G233-Q235 PolarHBondContact O-N 2.7Š|
| 234 | A | 35.1 | Very low | 38.9 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 90% | 0.901 | 85% | 0.854 | S | S | * | * | | | trans | -82.9 | 92.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 235 | Q | 40.9 | Very low | 39.1 | Very low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 86% | 0.855 | S | S | * | * | | | trans | -113.1 | 102 | 174.1 | -170 | 169.3 | -20.6 | 0 | 0 | 110.9 | G233 | G233-Q235 PolarHBondContact O-N 2.7Š|
| 236 | N | 37.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 85% | 0.846 | S | S | * | * | | | trans | -124.2 | 84 | -175.1 | -175.1 | 11.6 | 0 | 0 | 0 | 110.8 | | |
| 237 | Q | 43.6 | Very low | 39 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | | | trans | -158.3 | 128.9 | 172.9 | -109.1 | 177.9 | 78.2 | 0 | 0 | 109.6 | | |
| 238 | G | 39.9 | Very low | 38.7 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | | | trans | 158.3 | 35.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | K240 | G238-K240 PolarHBondContact O-N 3.43Š|
| 239 | K | 40.6 | Very low | 38.6 | Very low | 215 Ų | 215 | 151.9 Ų | 151.9 | 94% | 0.935 | 84% | 0.843 | S | S | * | * | | | trans | -86.9 | 99.7 | 175 | -83.9 | -167 | 174.8 | -174.4 | 0 | 112.7 | | |
| 240 | K | 39.8 | Very low | 38.5 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | | | trans | -149.9 | 127.9 | 150.6 | -87.1 | -177.6 | -178.3 | 177.4 | 0 | 105.9 | G238 | G238-K240 PolarHBondContact O-N 3.43Š|
| 241 | A | 38.1 | Very low | 38.2 | Very low | 86 Ų | 86 | 145.3 Ų | 145.3 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | | | | 61.6 | 118.7 | 73.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 242 | E | 38.8 | Very low | 38.1 | Very low | 199 Ų | 199 | 152 Ų | 152 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | | | cis | -148.1 | 164.2 | -0.4 | -95.5 | 170 | 118.8 | 0 | 0 | 110 | | |
| 243 | G | 37.1 | Very low | 38 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | 174.6 | 51.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 244 | V | 37.3 | Very low | 37.9 | Very low | 132 Ų | 132 | 148.6 Ų | 148.6 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | | | trans | -94 | 102.1 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 111 | | |
| 245 | Q | 39.9 | Very low | 38.2 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | | | trans | -110.5 | 111.1 | 154.8 | -78.5 | -165.6 | -58.2 | 0 | 0 | 109.5 | | |
| 246 | S | 34.9 | Very low | 38 | Very low | 98 Ų | 98 | 151.1 Ų | 151.1 | 69% | 0.685 | 84% | 0.839 | S | S | * | * | | | trans | -120.8 | 121 | 174.1 | -73.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 247 | Q | 39.9 | Very low | 38.1 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | | | trans | 163.1 | 127.5 | 136.5 | -87.9 | 175.8 | 23.2 | 0 | 0 | 107.4 | | |
| 248 | S | 36.3 | Very low | 37.8 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 71% | 0.706 | 84% | 0.837 | S | S | * | * | | | cis | 94.6 | 115.2 | 38.5 | -76.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 249 | K | 38.4 | Very low | 37.8 | Very low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 84% | 0.84 | S | S | * | * | | | trans | 88.8 | 142.8 | 149.2 | -64.7 | 173.8 | 178.5 | -179.6 | 0 | 119.6 | | |
| 250 | K | 37.5 | Very low | 37.6 | Very low | 213 Ų | 213 | 152.9 Ų | 152.9 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | | | trans | 69.7 | 142.6 | -178.7 | -55.6 | -177.3 | 179.9 | -177.9 | 0 | 113.9 | | |
| 251 | G | 35.4 | Very low | 37.6 | Very low | 72 Ų | 72 | 147.1 Ų | 147.1 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | | | cis | -176.2 | 166.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 252 | E | 35 | Very low | 37.5 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | | | trans | -65.9 | 152 | 179.4 | -63.1 | 151.7 | 96.6 | 0 | 0 | 112.3 | | |
| 253 | G | 37.2 | Very low | 37.5 | Very low | 70 Ų | 70 | 145.2 Ų | 145.2 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | | | trans | 168.6 | 90.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q255 | G253-Q255 PolarHBondContact O-N 2.78Š|
| 254 | T | 33.6 | Very low | 37.6 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -47 | 119.5 | 172.3 | 44.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 255 | Q | 40.1 | Very low | 37.9 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 94% | 0.935 | 84% | 0.835 | S | S | * | * | | | trans | -88.3 | 113.9 | 156.5 | -80.2 | -164.9 | -65.1 | 0 | 0 | 110 | G253 | G253-Q255 PolarHBondContact O-N 2.78Š|
| 256 | N | 38 | Very low | 37.7 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | | | trans | -102.4 | 162.6 | 160.8 | -155.5 | -8.4 | 0 | 0 | 0 | 109.3 | | |
| 257 | Q | 38.4 | Very low | 37.9 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | | | trans | -68.9 | 132.2 | -162.6 | -56.7 | 178.5 | 16.4 | 0 | 0 | 113.6 | | |
| 258 | G | 38.4 | Very low | 37.8 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -146.2 | 127.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 259 | K | 39.5 | Very low | 37.9 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | | | trans | -96.3 | 150.6 | -169.8 | -91.6 | -179 | 177.6 | 172.8 | 0 | 113.8 | | |
| 260 | K | 36.5 | Very low | 37.6 | Very low | 212 Ų | 212 | 148.9 Ų | 148.9 | 92% | 0.922 | 84% | 0.837 | S | S | * | * | | | trans | 69 | 143.5 | 156.8 | -70.8 | 178.2 | 171.7 | -171.1 | 0 | 118.1 | | |
| 261 | G | 38.4 | Very low | 37.7 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | 148.2 | 74.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G263 | G261-G263 PolarHBondContact O-N 3.1Š|
| 262 | D | 35.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 96% | 0.957 | 84% | 0.836 | S | S | * | * | | | trans | -63.5 | 127.4 | 165.8 | -74.8 | -86.2 | 0 | 0 | 0 | 110.2 | | |
| 263 | G | 40.2 | Very low | 37.9 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | | | trans | -166.2 | 98.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G261 P265 | G261-G263 PolarHBondContact O-N 3.1Å; G263-P265 WeakPolarHBondContact O-CD 3.4Å |
| 264 | N | 39.2 | Very low | 37.8 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -63.2 | 120.9 | 178.2 | 173.6 | 26.5 | 0 | 0 | 0 | 112.2 | | |
| 265 | P | 43.6 | Very low | 38.1 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | | | trans | -98.9 | 109.4 | 177.9 | 34.6 | -27.6 | 0 | 0 | 0 | 112.4 | G263 | G263-P265 WeakPolarHBondContact O-CD 3.4Š|
| 266 | N | 35.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | | | trans | -150.8 | 136.5 | 164.9 | -156.1 | -4 | 0 | 0 | 0 | 113.5 | | |
| 267 | Q | 38.5 | Very low | 38.2 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | 70.5 | 152 | 170.7 | -45 | -164.3 | 14.5 | 0 | 0 | 119.5 | | |
| 268 | G | 38.7 | Very low | 38.5 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 84.8 | 92.5 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 269 | K | 37.3 | Very low | 38.5 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | cis | 75.5 | 97.6 | 42.1 | -137.2 | -173.5 | -165.8 | -177.2 | 0 | 114.9 | | |
| 270 | K | 33.3 | Very low | 38.6 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | | | trans | 68.4 | 140.5 | 157.3 | -75 | -167.4 | 170.1 | -166.5 | 0 | 121.7 | | |
| 271 | G | 38.7 | Very low | 38.9 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | 150.5 | 95.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 272 | E | 35.6 | Very low | 39.2 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 97% | 0.967 | 79% | 0.794 | S | S | * | * | | | | 79.5 | 143.5 | 72.5 | -74.9 | -163.1 | 107.1 | 0 | 0 | 115.4 | | |
| 273 | G | 39 | Very low | 39.5 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 103.2 | 97.2 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 274 | A | 34.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | | 59.8 | 129.9 | 70.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 275 | S | 39.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -150.9 | 156.7 | 37.3 | -170.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 276 | N | 37.5 | Very low | 39.3 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | -11.1 | 151 | 154.8 | -47.9 | -83.5 | 0 | 0 | 0 | 118 | | |
| 277 | Q | 43.7 | Very low | 39.7 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | | -163.7 | 153 | 53.8 | -80 | -170.8 | -0 | 0 | 0 | 115 | | |
| 278 | N | 44.3 | Very low | 39.9 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 56% | 0.561 | 79% | 0.792 | S | S | * | * | | | trans | 62.8 | 142.1 | 142.8 | -64.6 | -17.3 | 0 | 0 | 0 | 120.7 | | |
| 279 | R | 39.4 | Very low | 39.8 | Very low | 216 Ų | 216 | 141.1 Ų | 141.1 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | cis | -171 | 169.2 | -20.9 | -122.3 | 169.1 | -170.6 | 154.7 | 0.9 | 108.5 | | |
| 280 | K | 41.4 | Very low | 39.9 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | trans | 75.9 | 88.9 | 175.4 | -61.3 | -168 | 174.7 | -171.1 | 0 | 116.7 | | |
| 281 | T | 42.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -55.7 | 156.5 | 145.1 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 282 | D | 44.9 | Very low | 40 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -124.1 | 161.9 | 137.4 | -133.7 | -39.4 | 0 | 0 | 0 | 109.4 | | |
| 283 | T | 41.5 | Very low | 40.1 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 63% | 0.632 | 78% | 0.78 | S | S | * | * | | | trans | -135.8 | 171.2 | -143.6 | -38.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 284 | V | 41.6 | Very low | 39.9 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | 79.6 | 128.3 | 166.3 | -169.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 285 | A | 42.1 | Very low | 39.9 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | cis | -144.3 | 167.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 286 | N | 35.9 | Very low | 39.7 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -125.2 | 118.6 | 174 | 179.6 | 1.3 | 0 | 0 | 0 | 110.4 | | |
| 287 | Q | 44.4 | Very low | 39.9 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | | | trans | -146.7 | 141.2 | 160.8 | -71.4 | -164.4 | 66.3 | 0 | 0 | 107.9 | | |
| 288 | G | 41.7 | Very low | 39.4 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | cis | -161.5 | 158.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 289 | T | 36.3 | Very low | 39.3 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -83.7 | 147.7 | -179.1 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 290 | K | 40.5 | Very low | 39.2 | Very low | 208 Ų | 208 | 145.1 Ų | 145.1 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | | | | -172.3 | 175 | 123.8 | -101.8 | 161.8 | -173.5 | -179 | 0 | 113.3 | | |
| 291 | Q | 39.1 | Very low | 39 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -126.8 | 173 | -158.2 | -154 | 169.4 | -86.4 | 0 | 0 | 110.2 | | |
| 292 | E | 34.4 | Very low | 38.7 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 73.2 | 160 | 161.6 | -75.5 | 147.8 | -139.8 | 0 | 0 | 120.2 | | |
| 293 | G | 38.4 | Very low | 38.4 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | 94.8 | 72.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 294 | V | 35 | Very low | 38.1 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | | 66.2 | 92.2 | 66.8 | -173.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 295 | S | 34.8 | Very low | 38.3 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | 83.7 | 159.1 | 142.3 | -149.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 296 | N | 35.4 | Very low | 38 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | | | trans | 77.4 | 101.2 | 156.3 | -73.2 | -38.1 | 0 | 0 | 0 | 122.5 | | |
| 297 | Q | 40.5 | Very low | 38.3 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | | 85.9 | 139 | 126.4 | -64.9 | -171.1 | 25.3 | 0 | 0 | 121.9 | | |
| 298 | V | 34.3 | Very low | 38.2 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -71.7 | 120 | 173.9 | 175 | 0 | 0 | 0 | 0 | 111.4 | | |
| 299 | K | 42 | Very low | 38.2 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -131.4 | 119.6 | 146 | -69 | -177.8 | 178.5 | 178.1 | 0 | 106.2 | | |
| 300 | K | 36.8 | Very low | 38.2 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | | 57.1 | 99.5 | 68.1 | -86.9 | -161.2 | 172.6 | -173.4 | 0 | 114.7 | | |
| 301 | S | 36.5 | Very low | 38.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 68.7 | 157.9 | 135.2 | 52.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 302 | E | 36.8 | Very low | 38 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | 84.9 | 124 | 176 | -52.9 | -174.3 | 154.8 | 0 | 0 | 115 | | |
| 303 | G | 38.3 | Very low | 38.2 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | | | cis | -158.8 | -169.2 | 3.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 304 | S | 35.5 | Very low | 38 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -68.8 | 178.8 | 180 | -107.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 305 | P | 46.4 | Very low | 38.7 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | cis | -120.5 | 152.9 | 15 | 12.5 | 13.9 | 0 | 0 | 0 | 114.8 | | |
| 306 | N | 35.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | | 80.9 | 99.1 | 58.6 | -174.1 | 21.9 | 0 | 0 | 0 | 115.9 | | |
| 307 | Q | 43.2 | Very low | 39.2 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | 177.1 | 142.1 | 143.1 | -103.5 | 174.2 | 85 | 0 | 0 | 110.6 | | |
| 308 | G | 40.7 | Very low | 39.3 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | | | cis | 138.7 | 79.9 | -18.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 309 | K | 41.3 | Very low | 39.7 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -173.5 | 128 | 156.1 | -97.7 | 142.4 | -174.1 | 179.6 | 0 | 108.4 | | |
| 310 | K | 38.1 | Very low | 39.6 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | | 69.6 | 123.2 | 60.8 | -68 | -170 | 175.2 | -169.7 | 0 | 112.5 | | |
| 311 | A | 37.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | cis | 90.8 | 108.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 312 | E | 37.9 | Very low | 39.9 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | | | trans | -171.4 | 157.4 | 160 | -103.1 | 173.8 | 124.3 | 0 | 0 | 106.8 | | |
| 313 | G | 38.3 | Very low | 40 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | cis | -168.8 | 171.6 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 314 | A | 34.8 | Very low | 39.7 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -99.6 | 155.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 315 | P | 48.9 | Very low | 40.3 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | | -133.5 | 143.4 | 107.1 | 35.8 | -26.3 | 0 | 0 | 0 | 111.9 | | |
| 316 | N | 35.7 | Very low | 39.5 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | cis | 88.6 | 130.8 | 44.5 | -167.6 | 17.5 | 0 | 0 | 0 | 113.6 | | |
| 317 | Q | 44.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | 65.1 | 143.3 | -173.2 | -47.5 | -165.2 | 66.9 | 0 | 0 | 114.2 | | |
| 318 | G | 43.5 | Very low | 39.6 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | cis | 155.9 | 161.3 | 2.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 319 | K | 41.5 | Very low | 39.6 | Very low | 170 Ų | 170 | 138 Ų | 138 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | cis | -155.7 | 152.5 | 4.2 | -62.8 | 168.9 | 179.1 | 165.9 | 0 | 107.7 | | |
| 320 | K | 41 | Very low | 39.6 | Very low | 192 Ų | 192 | 138.1 Ų | 138.1 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 60.9 | 165.7 | 147.7 | -73.3 | -177.7 | 179.3 | -170.2 | 0 | 117.9 | | |
| 321 | K | 41.4 | Very low | 39.9 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | cis | -178.3 | 153.8 | -42.1 | -118.2 | 178 | 154.1 | -75.9 | 0 | 106.3 | | |
| 322 | D | 38.5 | Very low | 40.1 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 33.4 | 127.4 | 149.3 | -33.9 | -36.1 | 0 | 0 | 0 | 120.5 | | |
| 323 | G | 38.9 | Very low | 40.4 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | 167.3 | 80.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 324 | S | 31.7 | Very low | 40.6 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -106.4 | 158.1 | 147.1 | -160 | 0 | 0 | 0 | 0 | 106.3 | | |
| 325 | P | 46.9 | Very low | 41.4 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -142.2 | 168 | 17 | 43.8 | -25.8 | 0 | 0 | 0 | 118.1 | | |
| 326 | S | 31.5 | Very low | 41.2 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 46.3 | 141.7 | 135.3 | -151.6 | 0 | 0 | 0 | 0 | 124.4 | | |
| 327 | Q | 38 | Very low | 41.8 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | 96.6 | 153.3 | 155.9 | -54.7 | -152.7 | 21.2 | 0 | 0 | 121 | | |
| 328 | A | 41.9 | Very low | 41.8 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 86.4 | 89.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 329 | K | 41.3 | Very low | 42 | Very low | 199 Ų | 199 | 134.8 Ų | 134.8 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | | 58.8 | 117.4 | 129.9 | -66.8 | 176.8 | 178.2 | 174.3 | 0 | 122.2 | | |
| 330 | K | 40.4 | Very low | 42 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | | 41.4 | 113 | 127.2 | -62 | -170 | 174 | -163.9 | 0 | 120.5 | | |
| 331 | V | 43.9 | Very low | 42.3 | Very low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | | -172.8 | 135.6 | 102.7 | -86.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 332 | D | 41.8 | Very low | 42.2 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | cis | 77.8 | 94 | 40.3 | -154.2 | -21.1 | 0 | 0 | 0 | 114.4 | | |
| 333 | A | 43.8 | Very low | 42.6 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -170.1 | 123.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 334 | A | 43.6 | Very low | 42.9 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | 55.2 | 154.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 335 | A | 50.3 | Low | 43.6 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | cis | -171.5 | 145.3 | -25.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 336 | N | 45.3 | Very low | 43.3 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | 140 | 152 | 153.7 | -83.9 | -53.7 | 0 | 0 | 0 | 112.3 | | |
| 337 | Q | 48.6 | Very low | 43.8 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | | | cis | -171.7 | 148 | -40.2 | -123 | -162.2 | 96.5 | 0 | 0 | 108.2 | | |
| 338 | G | 44.3 | Very low | 44.1 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | trans | 122.1 | 106 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 339 | K | 46.9 | Very low | 44.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | | 65.3 | 127 | 53.4 | -53.2 | 165.1 | 175.6 | 160.5 | 0 | 110.8 | | |
| 340 | K | 42.7 | Very low | 44.3 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | cis | -153.6 | 165.6 | 7.1 | -143 | -173.4 | 179.4 | -167.9 | 0 | 112 | | |
| 341 | S | 46.1 | Very low | 44.6 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -79.2 | 143.5 | 179.6 | 52 | 0 | 0 | 0 | 0 | 115.6 | | |
| 342 | E | 40 | Very low | 44.7 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -159.4 | 109.2 | 150.3 | -150 | 154.8 | 125.9 | 0 | 0 | 107.2 | | |
| 343 | M | 47.2 | Very low | 45.3 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | | 95.5 | 126 | 70 | -165.6 | 166.3 | 70.1 | 0 | 0 | 112.2 | | |
| 344 | A | 44 | Very low | 45.8 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -99.4 | 162.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 345 | P | 47.8 | Very low | 46 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | -145.2 | -172.3 | 110.1 | 39.2 | -24.5 | 0 | 0 | 0 | 114 | | |
| 346 | A | 40.8 | Very low | 46.2 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -120.5 | 171.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 347 | Q | 41.4 | Very low | 46.4 | Very low | 202 Ų | 202 | 140.9 Ų | 140.9 | 94% | 0.944 | 79% | 0.788 | S | S | * | * | | | trans | 72.6 | 137.1 | 176 | -57.6 | -170.9 | -17.8 | 0 | 0 | 118 | | |
| 348 | G | 44 | Very low | 46.1 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 151.9 | 95.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 349 | Q | 44.3 | Very low | 46.4 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | 40.7 | 110 | 142.2 | -52.9 | -163.5 | 44.1 | 0 | 0 | 119.4 | | |
| 350 | K | 42.4 | Very low | 46.4 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | | 96.9 | 136 | 75 | -91.2 | -170.9 | 175.9 | -176.4 | 0 | 115.2 | | |
| 351 | A | 48.3 | Very low | 46.8 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | | | trans | 88.6 | 131.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 352 | S | 45.9 | Very low | 46.9 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | 71.6 | 148.1 | 160.9 | 82.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 353 | M | 53.2 | Low | 47.2 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | cis | -156.9 | 141.5 | -8.4 | -128.7 | 167.6 | 66.3 | 0 | 0 | 112.9 | | |
| 354 | V | 53.8 | Low | 47.6 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | trans | 50 | 112.7 | 143.4 | 171.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 355 | Q | 49.5 | Very low | 48.2 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | 160.5 | 110.5 | 116.7 | -111.8 | 162.4 | 25.8 | 0 | 0 | 109 | | |
| 356 | S | 53.9 | Low | 48.4 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | 91.2 | 96.5 | 40.7 | -168.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 357 | Q | 49 | Very low | 48.9 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | | -175.5 | 147.8 | 125 | -102.2 | 170.2 | 103.4 | 0 | 0 | 111.7 | | |
| 358 | E | 42.5 | Very low | 49.5 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | -150.2 | 152.6 | -167.9 | -153.1 | -168.3 | 118.5 | 0 | 0 | 113.5 | | |
| 359 | A | 50.1 | Low | 49.8 | Very low | 82 Ų | 82 | 147.1 Ų | 147.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | 43.7 | 135.5 | 154 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 360 | P | 48.4 | Very low | 50.4 | Low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -112.3 | 135.1 | 160.1 | 36.9 | -27.5 | 0 | 0 | 0 | 114.3 | | |
| 361 | K | 50.3 | Low | 51 | Low | 202 Ų | 202 | 138.4 Ų | 138.4 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | | | trans | 173.1 | 159.9 | 164.3 | -98.3 | 156.9 | -177.7 | 179.7 | 0 | 107.7 | | |
| 362 | Q | 48.2 | Very low | 51.4 | Low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | | | cis | -165.9 | 171.4 | -36.6 | -161.2 | 177 | -54.7 | 0 | 0 | 106.2 | | |
| 363 | D | 46.7 | Very low | 51.9 | Low | 127 Ų | 127 | 145.6 Ų | 145.6 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | | | trans | 76.2 | 104.9 | 157.3 | -63.1 | -57.5 | 0 | 0 | 0 | 122.9 | | |
| 364 | A | 55.5 | Low | 52 | Low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 82.5 | 172.4 | 117.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 365 | P | 56.7 | Low | 52.1 | Low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | | -144.4 | 171.7 | -102.2 | 39.8 | -18 | 0 | 0 | 0 | 119.8 | | |
| 366 | A | 52.6 | Low | 52.4 | Low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 72.3 | 129.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 367 | K | 51.3 | Low | 52.6 | Low | 191 Ų | 191 | 146 Ų | 146 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | | 170 | 161 | 113.1 | -93.9 | 163 | -177.2 | 168.1 | 0 | 113.7 | | |
| 368 | K | 52.3 | Low | 53.1 | Low | 193 Ų | 193 | 142.2 Ų | 142.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | 71.3 | 146.7 | 159.2 | -74.2 | 165.3 | -176.4 | 176.9 | 0 | 117.2 | | |
| 369 | K | 51.9 | Low | 53.8 | Low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | cis | -169.2 | 162.5 | -18.2 | -153.1 | -176.7 | -176.5 | -171.2 | 0 | 110.7 | | |
| 370 | S | 55.2 | Low | 53.9 | Low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | 89.9 | 142.3 | 145.3 | -150.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 371 | G | 55.7 | Low | 54.2 | Low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | 89.6 | 125.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 372 | S | 57.5 | Low | 54.4 | Low | 123 Ų | 123 | 143.6 Ų | 143.6 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | cis | -150.5 | 170 | -17.3 | -163.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 373 | R | 55.7 | Low | 54.7 | Low | 233 Ų | 233 | 143.2 Ų | 143.2 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | | | trans | -90.7 | -179.1 | 173.7 | -57.3 | 173 | 172.5 | 170.1 | -6.1 | 108.9 | | |
| 374 | K | 55.7 | Low | 55.2 | Low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | | | cis | -174.1 | 136.6 | 25.2 | -172 | -175.8 | 176.3 | -173 | 0 | 111.6 | | |
| 375 | K | 54.6 | Low | 55.2 | Low | 170 Ų | 170 | 147.6 Ų | 147.6 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | | | trans | 57.1 | 166.4 | 162.1 | -82.5 | -164.5 | 174.1 | -111.2 | 0 | 116.8 | E377 | K375-E377 IonicContact NZ-OE2 2.84Å; K375-E377 PolarHBondContact NZ-OE2 3.34Å |
| 376 | G | 56.7 | Low | 55.1 | Low | 71 Ų | 71 | 149.4 Ų | 149.4 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | | | cis | -124.3 | -163.9 | 6.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 377 | E | 57.6 | Low | 55.3 | Low | 157 Ų | 157 | 153.9 Ų | 153.9 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | | | trans | -102.4 | 169.3 | -162.1 | -86 | 164.4 | 91 | 0 | 0 | 113.9 | K375 | K375-E377 IonicContact NZ-OE2 2.84Å; K375-E377 PolarHBondContact NZ-OE2 3.34Å |
| 378 | P | 60.2 | Low | 55.6 | Low | 118 Ų | 118 | 151.1 Ų | 151.1 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | | | trans | -96.7 | -154.1 | -166.5 | 41.3 | -38.1 | 0 | 0 | 0 | 113.3 | | |
| 379 | V | 56.1 | Low | 55.8 | Low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | trans | 104.1 | 85.9 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 380 | C | 53.1 | Low | 56.2 | Low | 203 Ų | 203 | 143.6 Ų | 143.6 | 100% | 1.372 | 84% | 0.842 | S | S | * | * | | | | -168.3 | 0 | 116 | -97.7 | 0 | 0 | 0 | 0 | 109.1 | | |