| 1 | M | 40.7 | Very low | 54.7 | Low | 234 Ų | 234 | 146.1 Ų | 146.1 | 100% | 1.153 | 80% | 0.795 | S | S | * | * | | | | 0 | 132.4 | 0 | -77.9 | 163.9 | 99.2 | 0 | 0 | 108.3 | | |
| 2 | T | 50.3 | Low | 55.5 | Low | 128 Ų | 128 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | 60.2 | 83.5 | 161.2 | 65.2 | 0 | 0 | 0 | 0 | 119 | | |
| 3 | G | 50.3 | Low | 56.7 | Low | 77 Ų | 77 | 146.1 Ų | 146.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -85.2 | 117.5 | 147.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 4 | V | 53.9 | Low | 57.6 | Low | 99 Ų | 99 | 144.9 Ų | 144.9 | 60% | 0.6 | 79% | 0.79 | S | S | * | * | | | trans | -95.9 | 86.5 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | H6 | V4-H6 WeakPolarHBondContact CG1-NE2 3.25Å; V4-H6 PolarHBondContact O-N 3.08Å |
| 5 | D | 59.3 | Low | 58.6 | Low | 159 Ų | 159 | 146.7 Ų | 146.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | trans | -88.3 | 102.5 | 173 | -80.2 | -22 | 0 | 0 | 0 | 109.2 | A7 | D5-A7 PolarHBondContact O-N 3.46Š|
| 6 | H | 55.3 | Low | 59.4 | Low | 139 Ų | 139 | 141 Ų | 141 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | | | trans | -70.8 | 94.6 | 173.2 | -67.2 | -70 | 0 | 0 | 0 | 110.2 | V4 Y8 | V4-H6 WeakPolarHBondContact CG1-NE2 3.25Å; V4-H6 PolarHBondContact O-N 3.08Å; H6-Y8 HydrophobicContact CB-CD2 4.18Å; H6-Y8 HydrophobicContact CB-CE2 3.86Å; H6-Y8 PolarHBondContact O-N 3.41Å; H6-Y8 VanDerWaalsContact O-N 3.1Å |
| 7 | A | 56 | Low | 60.2 | Low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -74.9 | 92.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | D5 Q9 | D5-A7 PolarHBondContact O-N 3.46Å; A7-Q9 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact O-N 3.17Å |
| 8 | Y | 53.9 | Low | 60.6 | Low | 175 Ų | 175 | 145 Ų | 145 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | | | trans | -71.7 | 102.6 | 167.4 | -75.1 | -85.8 | 0 | 0 | 0 | 109.4 | H6 Y10 | H6-Y8 HydrophobicContact CB-CD2 4.18Å; H6-Y8 HydrophobicContact CB-CE2 3.86Å; H6-Y8 PolarHBondContact O-N 3.41Å; H6-Y8 VanDerWaalsContact O-N 3.1Å; Y8-Y10 PolarHBondContact O-N 3.31Å |
| 9 | Q | 60.2 | Low | 60.8 | Low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | | | trans | -79.2 | 108.1 | 166.9 | -80.3 | 179.4 | -17.2 | 0 | 0 | 109.1 | A7 | A7-Q9 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact O-N 3.17Å |
| 10 | Y | 57 | Low | 60.9 | Low | 198 Ų | 198 | 139.6 Ų | 139.6 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | -87.3 | 112.3 | 165.6 | -65 | -82.7 | 0 | 0 | 0 | 108.6 | Y8 | Y8-Y10 PolarHBondContact O-N 3.31Š|
| 11 | S | 65.3 | Low | 60.8 | Low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | | | trans | -87.3 | 121.5 | 166.6 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 12 | V | 64.2 | Low | 61.9 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | | | trans | -96.2 | 116 | 173 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | V14 | V12-V14 HydrophobicContact CG1-CG2 4.09Å; V12-V14 PolarHBondContact O-N 3.47Å |
| 13 | E | 70.3 | Confident | 62.4 | Low | 170 Ų | 170 | 133.2 Ų | 133.2 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | | | trans | -77.1 | 109 | 168.6 | -70.8 | -178.1 | -175.5 | 0 | 0 | 109.4 | K15 | E13-K15 PolarHBondContact O-N 3.41Š|
| 14 | V | 69.5 | Low | 62.8 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 78% | 0.782 | 68% | 0.678 | S | S | * | * | | | trans | -91.2 | 95.9 | 172.9 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | V12 S16 | V12-V14 HydrophobicContact CG1-CG2 4.09Å; V12-V14 PolarHBondContact O-N 3.47Å; V14-S16 PolarHBondContact O-N 2.98Å |
| 15 | K | 73 | Confident | 63.1 | Low | 173 Ų | 173 | 134.7 Ų | 134.7 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | | | trans | -65.8 | 119 | 169.9 | -82.4 | -179.1 | 169.2 | 179.3 | 0 | 109.2 | E13 R17 | E13-K15 PolarHBondContact O-N 3.41Å; K15-R17 PolarHBondContact O-N 3.44Å |
| 16 | S | 71.6 | Confident | 63.1 | Low | 55 Ų | 55 | 131.4 Ų | 131.4 | 39% | 0.385 | 67% | 0.669 | S | S | . | * | | | trans | -56.2 | 136.4 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | V14 F18 S19 | V14-S16 PolarHBondContact O-N 2.98Å; S16-F18 PolarHBondContact O-N 2.85Å; S16-F18 WeakPolarHBondContact OG-CD2 3.2Å; S16-F18 PolarHBondContact OG-N 3.44Å; S16-F18 VanDerWaalsContact OG-N 3.15Å; S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 3.2Å |
| 17 | R | 73.1 | Confident | 63.3 | Low | 207 Ų | 207 | 130 Ų | 130 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -19.2 | 169.2 | -90.9 | 175.9 | 81.6 | 152.5 | 0.8 | 111.9 | K15 | K15-R17 PolarHBondContact O-N 3.44Š|
| 18 | F | 66.9 | Low | 63.8 | Low | 147 Ų | 147 | 130.3 Ų | 130.3 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -13.2 | 176.6 | -54.9 | -76.4 | 0 | 0 | 0 | 114.4 | S16 L20 F21 | S16-F18 PolarHBondContact O-N 2.85Å; S16-F18 WeakPolarHBondContact OG-CD2 3.2Å; S16-F18 PolarHBondContact OG-N 3.44Å; S16-F18 VanDerWaalsContact OG-N 3.15Å; F18-L20 PolarHBondContact O-N 2.95Å; F18-F21 HydrophobicContact CB-CD2 4.37Å; F18-F21 HydrophobicContact CD1-CD2 4Å; F18-F21 HydrophobicContact CD1-CE2 4.13Å; F18-F21 PolarHBondContact O-N 3.36Å |
| 19 | S | 65 | Low | 64.6 | Low | 50 Ų | 50 | 124.9 Ų | 124.9 | 35% | 0.35 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -65.6 | -26.3 | 174.8 | -76.4 | 0 | 0 | 0 | 0 | 112.7 | S16 F21 L22 | S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 3.2Å; S19-F21 PolarHBondContact O-N 3.48Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.16Å |
| 20 | L | 61.6 | Low | 65.5 | Low | 132 Ų | 132 | 119.4 Ų | 119.4 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -66 | -16.8 | 172 | -80.9 | 148.9 | 0 | 0 | 0 | 113.2 | F18 | F18-L20 PolarHBondContact O-N 2.95Š|
| 21 | F | 60.3 | Low | 66.4 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -97.7 | -6 | 175.9 | -54.6 | -64.3 | 0 | 0 | 0 | 112.9 | F18 S19 N27 | F18-F21 HydrophobicContact CB-CD2 4.37Å; F18-F21 HydrophobicContact CD1-CD2 4Å; F18-F21 HydrophobicContact CD1-CE2 4.13Å; F18-F21 PolarHBondContact O-N 3.36Å; S19-F21 PolarHBondContact O-N 3.48Å; F21-N27 PolarHBondContact O-ND2 3.01Å |
| 22 | L | 62.8 | Low | 67.2 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | | | trans | -87.8 | -7.4 | 175.5 | -70.1 | 169.7 | 0 | 0 | 0 | 112.5 | S19 D24 | S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.16Å; L22-D24 PolarHBondContact O-N 3.01Å |
| 23 | D | 60.2 | Low | 68 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | | | trans | -74.1 | 68.4 | 169.5 | -70 | -26.9 | 0 | 0 | 0 | 109 | T25 | D23-T25 PolarHBondContact O-N 3.5Š|
| 24 | D | 59.6 | Low | 68.5 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | 17.4 | -171.6 | -87.2 | -21.5 | 0 | 0 | 0 | 115.7 | L22 V26 N27 S28 | L22-D24 PolarHBondContact O-N 3.01Å; D24-V26 PolarHBondContact O-N 3.32Å; D24-N27 VanDerWaalsContact OD1-CB 3.28Å; D24-N27 WeakPolarHBondContact OD1-CB 3.29Å; D24-N27 PolarHBondContact OD1-ND2 2.97Å; D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 3.45Å |
| 25 | T | 60.2 | Low | 69.1 | Low | 118 Ų | 118 | 104.7 Ų | 104.7 | 72% | 0.724 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -21.2 | 169.8 | 61 | 0 | 0 | 0 | 0 | 112.3 | D23 | D23-T25 PolarHBondContact O-N 3.5Š|
| 26 | V | 59.1 | Low | 69.4 | Low | 89 Ų | 89 | 99.9 Ų | 99.9 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -21 | 179.6 | -150.3 | 0 | 0 | 0 | 0 | 112.4 | D24 | D24-V26 PolarHBondContact O-N 3.32Š|
| 27 | N | 59.8 | Low | 70 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -14.5 | 179.6 | -76.4 | -21.6 | 0 | 0 | 0 | 113.8 | F21 D24 E29 | F21-N27 PolarHBondContact O-ND2 3.01Å; D24-N27 VanDerWaalsContact OD1-CB 3.28Å; D24-N27 WeakPolarHBondContact OD1-CB 3.29Å; D24-N27 PolarHBondContact OD1-ND2 2.97Å; N27-E29 VanDerWaalsContact C-N 3.33Å |
| 28 | S | 66.8 | Low | 70.3 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -89.2 | -2.7 | 175 | 48.8 | 0 | 0 | 0 | 0 | 113 | D24 | D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 3.45Å |
| 29 | E | 70.2 | Confident | 71 | Confident | 60 Ų | 60 | 96.5 Ų | 96.5 | 28% | 0.28 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -81.3 | 130.6 | -177.6 | -161.6 | 146.9 | -127.9 | 0 | 0 | 110.9 | N27 I33 L34 K37 | N27-E29 VanDerWaalsContact C-N 3.33Å; E29-I33 HydrophobicContact CG-CB 4.26Å; E29-I33 HydrophobicContact CG-CG2 3.99Å; E29-L34 HydrophobicContact CB-CD1 4.48Å; E29-L34 HydrophobicContact CB-CD2 4.13Å; E29-L34 HydrophobicContact CB-CG 4.16Å; E29-L34 HydrophobicContact CG-CD2 4.06Å; E29-L34 HydrophobicContact CG-CG 4.1Å; E29-K37 WeakPolarHBondContact OE1-CE 3.32Å; E29-K37 IonicContact OE1-NZ 2.55Å; E29-K37 PolarHBondContact OE1-NZ 3.01Å; E29-K37 IonicContact OE2-NZ 2.74Å; E29-K37 PolarHBondContact OE2-NZ 2.81Å |
| 30 | D | 78.2 | Confident | 71.4 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | | | trans | -54.6 | 128.8 | 179.5 | -175.1 | -21.6 | 0 | 0 | 0 | 110.1 | D32 I33 L34 | D30-D32 PolarHBondContact O-N 3.26Å; D30-D32 VanDerWaalsContact O-N 3.09Å; D30-D32 PolarHBondContact OD1-N 3.13Å; D30-I33 HydrophobicContact CB-CB 4.08Å; D30-I33 HydrophobicContact CB-CD1 3.64Å; D30-I33 HydrophobicContact CB-CG1 3.74Å; D30-I33 WeakPolarHBondContact O-CA 3.37Å; D30-I33 WeakPolarHBondContact O-CB 3.49Å; D30-I33 PolarHBondContact O-N 3.48Å; D30-L34 PolarHBondContact O-N 3.33Å |
| 31 | P | 77.8 | Confident | 71.9 | Confident | 89 Ų | 89 | 98.9 Ų | 98.9 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -52.6 | -31.6 | 177.8 | 22.3 | -35.3 | 0 | 0 | 0 | 113.1 | L34 L35 | P31-L34 PolarHBondContact O-N 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 WeakPolarHBondContact O-CD1 3.48Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.21Å |
| 32 | D | 80.9 | Confident | 72.1 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.9 | -33.9 | 178.5 | -70 | -15.2 | 0 | 0 | 0 | 111.9 | D30 S36 | D30-D32 PolarHBondContact O-N 3.26Å; D30-D32 VanDerWaalsContact O-N 3.09Å; D30-D32 PolarHBondContact OD1-N 3.13Å; D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.32Å; D32-S36 PolarHBondContact O-OG 3.19Å |
| 33 | I | 80.7 | Confident | 72 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 41% | 0.41 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 172.7 | -63 | 175.2 | 0 | 0 | 0 | 110 | E29 D30 S36 K37 | E29-I33 HydrophobicContact CG-CB 4.26Å; E29-I33 HydrophobicContact CG-CG2 3.99Å; D30-I33 HydrophobicContact CB-CB 4.08Å; D30-I33 HydrophobicContact CB-CD1 3.64Å; D30-I33 HydrophobicContact CB-CG1 3.74Å; D30-I33 WeakPolarHBondContact O-CA 3.37Å; D30-I33 WeakPolarHBondContact O-CB 3.49Å; D30-I33 PolarHBondContact O-N 3.48Å; I33-S36 WeakPolarHBondContact O-CB 3.36Å; I33-S36 PolarHBondContact O-N 2.79Å; I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.38Å; I33-K37 PolarHBondContact O-N 2.68Å |
| 34 | L | 82 | Confident | 71.9 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 32% | 0.319 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -43.8 | 175.7 | -70.9 | 172.4 | 0 | 0 | 0 | 111.9 | E29 D30 P31 K37 L38 | E29-L34 HydrophobicContact CB-CD1 4.48Å; E29-L34 HydrophobicContact CB-CD2 4.13Å; E29-L34 HydrophobicContact CB-CG 4.16Å; E29-L34 HydrophobicContact CG-CD2 4.06Å; E29-L34 HydrophobicContact CG-CG 4.1Å; D30-L34 PolarHBondContact O-N 3.33Å; P31-L34 PolarHBondContact O-N 3.25Å; L34-K37 PolarHBondContact O-N 2.94Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.21Å |
| 35 | L | 81.1 | Confident | 71.8 | Confident | 91 Ų | 91 | 107.2 Ų | 107.2 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60 | -46.4 | 174.3 | -80.7 | 160 | 0 | 0 | 0 | 111.3 | P31 K37 L38 Q39 | P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 WeakPolarHBondContact O-CD1 3.48Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.21Å; L35-K37 VanDerWaalsContact C-N 3.35Å; L35-K37 PolarHBondContact O-N 2.7Å; L35-L38 PolarHBondContact O-N 2.94Å; L35-Q39 WeakPolarHBondContact O-CB 3.29Å; L35-Q39 VanDerWaalsContact O-CG 3.29Å; L35-Q39 WeakPolarHBondContact O-CG 3.42Å; L35-Q39 PolarHBondContact O-N 3.21Å |
| 36 | S | 80.4 | Confident | 71.5 | Confident | 72 Ų | 72 | 107.2 Ų | 107.2 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.7 | -43 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | D32 I33 Q39 S40 | D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.32Å; D32-S36 PolarHBondContact O-OG 3.19Å; I33-S36 WeakPolarHBondContact O-CB 3.36Å; I33-S36 PolarHBondContact O-N 2.79Å; S36-Q39 PolarHBondContact O-N 3.32Å; S36-S40 WeakPolarHBondContact O-CB 3.37Å; S36-S40 PolarHBondContact O-N 3Å; S36-S40 PolarHBondContact O-OG 2.69Å |
| 37 | K | 82.7 | Confident | 71.5 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 39% | 0.391 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.7 | -36.7 | 175.5 | -74 | -179 | -177.4 | -175.3 | 0 | 113.1 | E29 I33 L34 L35 S40 K41 | E29-K37 WeakPolarHBondContact OE1-CE 3.32Å; E29-K37 IonicContact OE1-NZ 2.55Å; E29-K37 PolarHBondContact OE1-NZ 3.01Å; E29-K37 IonicContact OE2-NZ 2.74Å; E29-K37 PolarHBondContact OE2-NZ 2.81Å; I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.38Å; I33-K37 PolarHBondContact O-N 2.68Å; L34-K37 PolarHBondContact O-N 2.94Å; L35-K37 VanDerWaalsContact C-N 3.35Å; L35-K37 PolarHBondContact O-N 2.7Å; K37-S40 WeakPolarHBondContact CA-OG 3.49Å; K37-S40 PolarHBondContact O-OG 3.39Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 VanDerWaalsContact O-CG 3.32Å; K37-K41 WeakPolarHBondContact O-CG 3.41Å; K37-K41 PolarHBondContact O-N 2.96Å; K37-K41 VanDerWaalsContact O-N 3.16Å |
| 38 | L | 81.1 | Confident | 71.2 | Confident | 108 Ų | 108 | 117.3 Ų | 117.3 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -38.5 | 177.5 | -76.5 | 168.4 | 0 | 0 | 0 | 112 | L34 L35 R42 | L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 2.94Å; L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.91Å |
| 39 | Q | 80.3 | Confident | 70.4 | Confident | 139 Ų | 139 | 120.4 Ų | 120.4 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69 | -42.8 | 176.2 | -72.3 | 179.5 | -4.2 | 0 | 0 | 111.4 | L35 S36 K41 R42 | L35-Q39 WeakPolarHBondContact O-CB 3.29Å; L35-Q39 VanDerWaalsContact O-CG 3.29Å; L35-Q39 WeakPolarHBondContact O-CG 3.42Å; L35-Q39 PolarHBondContact O-N 3.21Å; S36-Q39 PolarHBondContact O-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.44Å; Q39-R42 PolarHBondContact O-N 3.3Å |
| 40 | S | 74.1 | Confident | 69.5 | Low | 77 Ų | 77 | 127 Ų | 127 | 54% | 0.538 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.5 | -41.4 | 177.4 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | S36 K37 R42 G43 | S36-S40 WeakPolarHBondContact O-CB 3.37Å; S36-S40 PolarHBondContact O-N 3Å; S36-S40 PolarHBondContact O-OG 2.69Å; K37-S40 WeakPolarHBondContact CA-OG 3.49Å; K37-S40 PolarHBondContact O-OG 3.39Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; S40-R42 VanDerWaalsContact C-N 3.28Å; S40-R42 PolarHBondContact O-N 2.88Å; S40-G43 PolarHBondContact O-N 3.33Å |
| 41 | K | 72.2 | Confident | 67.9 | Low | 156 Ų | 156 | 129 Ų | 129 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.3 | -21.9 | 175.6 | -76.1 | -171.7 | 175.9 | -173 | 0 | 114.5 | K37 Q39 | K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 VanDerWaalsContact O-CG 3.32Å; K37-K41 WeakPolarHBondContact O-CG 3.41Å; K37-K41 PolarHBondContact O-N 2.96Å; K37-K41 VanDerWaalsContact O-N 3.16Å; Q39-K41 PolarHBondContact O-N 3.44Å |
| 42 | R | 63.8 | Low | 66 | Low | 214 Ų | 214 | 132.3 Ų | 132.3 | 81% | 0.808 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -80.6 | -18.5 | 177.7 | -82.6 | -179.4 | 174.1 | 175.4 | -0.7 | 113.4 | L38 Q39 S40 | L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.91Å; Q39-R42 PolarHBondContact O-N 3.3Å; S40-R42 VanDerWaalsContact C-N 3.28Å; S40-R42 PolarHBondContact O-N 2.88Å |
| 43 | G | 60.1 | Low | 64.3 | Low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -85.4 | -12.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S40 K45 | S40-G43 PolarHBondContact O-N 3.33Å; G43-K45 PolarHBondContact O-N 3.19Å |
| 44 | E | 58.7 | Low | 62.3 | Low | 171 Ų | 171 | 138.9 Ų | 138.9 | 80% | 0.799 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 23.6 | -167 | -148.5 | -179.5 | 175.8 | 0 | 0 | 114.3 | | |
| 45 | K | 58.2 | Low | 60.5 | Low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 12.5 | -176.6 | -69.6 | -167.7 | 176.8 | -177.5 | 0 | 115.4 | G43 | G43-K45 PolarHBondContact O-N 3.19Š|
| 46 | T | 54.4 | Low | 58.7 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -143.7 | 80.2 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 47 | K | 58.9 | Low | 56.8 | Low | 205 Ų | 205 | 154 Ų | 154 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | | | trans | 164.2 | 92 | 145.6 | -90.1 | 164.2 | -174.8 | -173.8 | 0 | 109.6 | D49 | K47-D49 PolarHBondContact O-N 2.91Š|
| 48 | K | 52.7 | Low | 55 | Low | 207 Ų | 207 | 155.1 Ų | 155.1 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | | | trans | 13.9 | 91.3 | 135.5 | -158.6 | -176.1 | -167.9 | -174.4 | 0 | 115.1 | | |
| 49 | D | 50.2 | Low | 52.8 | Low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | -162.3 | 148.7 | 141.7 | -96.7 | -27.8 | 0 | 0 | 0 | 111.9 | K47 | K47-D49 PolarHBondContact O-N 2.91Š|
| 50 | K | 50.2 | Low | 51.3 | Low | 198 Ų | 198 | 152.8 Ų | 152.8 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -77.5 | 164.2 | -158.7 | -104.4 | 158.8 | 173.4 | 172.3 | 0 | 114.3 | | |
| 51 | P | 44.5 | Very low | 50 | Low | 121 Ų | 121 | 156.4 Ų | 156.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -88.4 | 125.2 | -146.9 | 34.8 | -33.5 | 0 | 0 | 0 | 112.3 | | |
| 52 | H | 39 | Very low | 48.5 | Very low | 157 Ų | 157 | 158 Ų | 158 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -159.1 | 91.9 | 166.4 | -160.5 | 78.1 | 0 | 0 | 0 | 110.5 | | |
| 53 | L | 46.1 | Very low | 47.8 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -155.9 | 97.6 | 149.9 | -106.4 | 162.4 | 0 | 0 | 0 | 108 | Q55 | L53-Q55 PolarHBondContact O-N 3.47Š|
| 54 | Q | 37.4 | Very low | 46.8 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -49.9 | 96.8 | 163.3 | -65.7 | 171.3 | 9.4 | 0 | 0 | 108.7 | | |
| 55 | Q | 44.6 | Very low | 46.3 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -95 | 106 | 158.4 | -80.1 | -173.6 | -1.6 | 0 | 0 | 107.3 | L53 H57 | L53-Q55 PolarHBondContact O-N 3.47Å; Q55-H57 PolarHBondContact O-N 3.04Å |
| 56 | Q | 43.8 | Very low | 45.6 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -33.8 | 98.9 | 172.3 | -68.7 | 163.4 | -53.5 | 0 | 0 | 111.8 | V58 | Q56-V58 HydrophobicContact CB-CG2 4.24Å; Q56-V58 PolarHBondContact O-N 3.16Å |
| 57 | H | 40.6 | Very low | 44.9 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | trans | -66.9 | 92.2 | 146.8 | -95 | -87.3 | 0 | 0 | 0 | 106.2 | Q55 A59 | Q55-H57 PolarHBondContact O-N 3.04Å; H57-A59 PolarHBondContact O-N 3.31Å |
| 58 | V | 43.4 | Very low | 44.1 | Very low | 114 Ų | 114 | 152 Ų | 152 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -62.6 | 96.6 | 160.7 | 179.1 | 0 | 0 | 0 | 0 | 105.6 | Q56 | Q56-V58 HydrophobicContact CB-CG2 4.24Å; Q56-V58 PolarHBondContact O-N 3.16Å |
| 59 | A | 36.5 | Very low | 44 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | H57 L61 | H57-A59 PolarHBondContact O-N 3.31Å; A59-L61 PolarHBondContact O-N 2.61Å; A59-L61 VanDerWaalsContact O-N 3.1Å |
| 60 | P | 48.2 | Very low | 43.6 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 121.5 | 168.7 | -14.2 | 28 | 0 | 0 | 0 | 107.4 | | |
| 61 | L | 47 | Very low | 43.1 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 141.8 | 174 | -83 | 98.5 | 0 | 0 | 0 | 111.1 | A59 V63 | A59-L61 PolarHBondContact O-N 2.61Å; A59-L61 VanDerWaalsContact O-N 3.1Å; L61-V63 PolarHBondContact O-N 2.84Å |
| 62 | K | 39.8 | Very low | 43.3 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -35.9 | 119.9 | 162 | -56.3 | 172.4 | -179 | -179.7 | 0 | 110.7 | | |
| 63 | V | 48.6 | Very low | 43.9 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | trans | -122 | 82.1 | 157.5 | -171.8 | 0 | 0 | 0 | 0 | 106.8 | L61 T65 | L61-V63 PolarHBondContact O-N 2.84Å; V63-T65 PolarHBondContact O-N 2.99Å |
| 64 | D | 40.7 | Very low | 43.9 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -63.1 | 99.6 | 163.6 | -75.3 | -40.9 | 0 | 0 | 0 | 107.8 | I66 | D64-I66 PolarHBondContact O-N 2.96Š|
| 65 | T | 47.3 | Very low | 44 | Very low | 119 Ų | 119 | 140 Ų | 140 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | trans | -93.6 | 89.8 | 175.2 | -45.9 | 0 | 0 | 0 | 0 | 109.3 | V63 | V63-T65 PolarHBondContact O-N 2.99Š|
| 66 | I | 44.7 | Very low | 43.9 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | trans | 5.6 | 125.4 | 143 | -29.4 | 178.2 | 0 | 0 | 0 | 116.2 | D64 | D64-I66 PolarHBondContact O-N 2.96Š|
| 67 | T | 37.8 | Very low | 44.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | | 133.8 | 130.3 | 112.6 | -15.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 68 | K | 43.2 | Very low | 44.5 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 101.9 | 83.3 | 151 | -58.8 | 179.7 | -174.6 | 176.8 | 0 | 119.2 | | |
| 69 | S | 50.5 | Low | 44.5 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | 173.1 | 125.8 | 133.9 | 54.9 | 0 | 0 | 0 | 0 | 105.4 | | |
| 70 | G | 41.4 | Very low | 44.7 | Very low | 65 Ų | 65 | 136.6 Ų | 136.6 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | cis | 134 | 122.9 | 32.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 71 | V | 40.6 | Very low | 44.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | 83.2 | 113.6 | 150.6 | -169.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 72 | K | 47.6 | Very low | 44.6 | Very low | 191 Ų | 191 | 131.4 Ų | 131.4 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 72.9 | 142.9 | 148.4 | -76.3 | 172.9 | -178.7 | -178.2 | 0 | 118.5 | | |
| 73 | V | 51.9 | Low | 45 | Very low | 104 Ų | 104 | 133 Ų | 133 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | | | cis | -179.3 | 152.8 | -13.5 | 128.8 | 0 | 0 | 0 | 0 | 103.6 | | |
| 74 | E | 46.2 | Very low | 44.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | 71.8 | 105.7 | 164.3 | -77.8 | 151.7 | -156.4 | 0 | 0 | 118.5 | | |
| 75 | T | 38.5 | Very low | 44.9 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | | 72.8 | 102.6 | 70.2 | -52.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 76 | A | 43.6 | Very low | 44.7 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | | 157.5 | 118.3 | 120 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 77 | T | 47.1 | Very low | 44.7 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 68.1 | 126 | 140.7 | 54.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 78 | P | 49.8 | Very low | 45.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -101.6 | 137.4 | 161.9 | 35.9 | -25.4 | 0 | 0 | 0 | 111.7 | | |
| 79 | K | 43.1 | Very low | 45.5 | Very low | 211 Ų | 211 | 133.4 Ų | 133.4 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | trans | -179.6 | 136.7 | 150.7 | -111.4 | 168.8 | -178.2 | 174.6 | 0 | 115.1 | | |
| 80 | A | 41.7 | Very low | 45.4 | Very low | 105 Ų | 105 | 131.7 Ų | 131.7 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | 80 | 125.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 81 | G | 44.2 | Very low | 45.8 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 160.1 | 94.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 82 | S | 49 | Very low | 46.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | | 72.7 | 129 | 83 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 83 | R | 46.6 | Very low | 46.5 | Very low | 222 Ų | 222 | 132.1 Ų | 132.1 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | cis | -169.6 | 134.4 | 13 | -102.7 | 162.9 | -171.1 | -170.2 | 0.6 | 106.3 | | |
| 84 | V | 40.4 | Very low | 46.5 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | | 49 | 114.2 | 107.8 | -171.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 85 | S | 47.8 | Very low | 46.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -174 | 105 | 131.1 | -1.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 86 | K | 42.8 | Very low | 47.9 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | | 74.3 | 115.8 | 87.8 | -78.3 | -175 | 177.4 | -178.8 | 0 | 115.9 | | |
| 87 | T | 44.2 | Very low | 48.8 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | | | trans | -64.5 | 169.6 | 173.4 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 88 | P | 50.2 | Low | 49.3 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | | -153 | 162.3 | 84.5 | 37.9 | -17.8 | 0 | 0 | 0 | 118.1 | | |
| 89 | N | 48.3 | Very low | 49.8 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 70.9 | 143.3 | 147.1 | -80.8 | 0.2 | 0 | 0 | 0 | 120.2 | | |
| 90 | S | 49 | Very low | 49.9 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | | | cis | -178.1 | 163.4 | 2.1 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 91 | T | 48.8 | Very low | 50.6 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | 78.8 | 119.2 | 152.5 | -38 | 0 | 0 | 0 | 0 | 115 | | |
| 92 | E | 48.2 | Very low | 50.6 | Low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | cis | -168.2 | -179.1 | 32.8 | -131.5 | -172.5 | 117.6 | 0 | 0 | 109.6 | | |
| 93 | P | 54.6 | Low | 50.8 | Low | 104 Ų | 104 | 140.3 Ų | 140.3 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | -109.5 | 178.1 | -136.8 | 21.7 | 5.8 | 0 | 0 | 0 | 113.6 | | |
| 94 | P | 52.8 | Low | 51 | Low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -104.1 | -167.1 | -178.6 | 44 | -34.5 | 0 | 0 | 0 | 112.3 | | |
| 95 | P | 52.6 | Low | 51.4 | Low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | | -112.4 | 161.9 | -102 | 35.3 | -17 | 0 | 0 | 0 | 115.7 | | |
| 96 | V | 61.6 | Low | 51.7 | Low | 141 Ų | 141 | 135.3 Ų | 135.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -155 | 131.3 | 167.4 | -169.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 97 | P | 62.3 | Low | 52 | Low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -108.8 | -171.7 | 157.1 | 40.2 | -29.1 | 0 | 0 | 0 | 110.4 | | |
| 98 | P | 58.1 | Low | 52.2 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | cis | -122 | 164 | -27.9 | 38.3 | -24.5 | 0 | 0 | 0 | 112.2 | | |
| 99 | E | 60.3 | Low | 52.1 | Low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -149 | 137.5 | 160.8 | -69.8 | -165 | 167.7 | 0 | 0 | 113.6 | | |
| 100 | D | 44.7 | Very low | 52.3 | Low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -63.3 | 139.2 | 178.1 | -68.2 | -56.6 | 0 | 0 | 0 | 113.5 | | |
| 101 | V | 56.8 | Low | 52.6 | Low | 131 Ų | 131 | 135.1 Ų | 135.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -120.3 | 95.4 | 163.1 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I103 | V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.14Å |
| 102 | Q | 43 | Very low | 52.7 | Low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -80.6 | 122.4 | 159.5 | -65 | 179.6 | 32.6 | 0 | 0 | 109 | | |
| 103 | I | 54.8 | Low | 52.7 | Low | 142 Ų | 142 | 133.5 Ų | 133.5 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | -147.2 | 98.1 | 154 | -46.8 | 177.5 | 0 | 0 | 0 | 110.9 | V101 | V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.14Å |
| 104 | T | 49.7 | Very low | 52.3 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | 22.1 | 150.1 | 136.6 | 59.9 | 0 | 0 | 0 | 0 | 125 | | |
| 105 | S | 49.7 | Very low | 52 | Low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | 80.9 | 137.8 | 149.7 | -79.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 106 | T | 52.9 | Low | 51.7 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | cis | -168.3 | 135.2 | 5.4 | 31.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 107 | K | 49.8 | Very low | 51.2 | Low | 216 Ų | 216 | 135.3 Ų | 135.3 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | | | trans | 46.7 | 117.8 | 133.4 | -147.5 | 177.5 | -172.9 | -178.2 | 0 | 121.2 | | |
| 108 | G | 48.9 | Very low | 50.3 | Low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | 155.7 | 96.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 109 | T | 48.1 | Very low | 49.6 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | 55.1 | 106.9 | 105 | -35.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 110 | D | 52.5 | Low | 49.2 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | | -176.7 | 154.8 | 62.4 | -130.3 | -20 | 0 | 0 | 0 | 111.1 | | |
| 111 | E | 54.8 | Low | 49.3 | Very low | 141 Ų | 141 | 138 Ų | 138 | 66% | 0.659 | 77% | 0.767 | S | S | * | * | | | trans | 63.7 | 118.3 | 152.8 | -65.4 | -84.8 | 125 | 0 | 0 | 122.2 | I113 | E111-I113 VanDerWaalsContact OE2-CD1 3.25Å; E111-I113 WeakPolarHBondContact OE2-CD1 3.39Å |
| 112 | P | 50.4 | Low | 48.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -105.2 | 97 | 167.4 | 35.9 | -23.1 | 0 | 0 | 0 | 111.3 | | |
| 113 | I | 48 | Very low | 49.2 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 65% | 0.651 | 77% | 0.771 | S | S | * | * | | | trans | -141.1 | 99.4 | 172.5 | -49.5 | 176 | 0 | 0 | 0 | 111.1 | E111 | E111-I113 VanDerWaalsContact OE2-CD1 3.25Å; E111-I113 WeakPolarHBondContact OE2-CD1 3.39Å |
| 114 | S | 46.8 | Very low | 49.1 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -139.9 | 70.7 | 152.7 | -162.7 | 0 | 0 | 0 | 0 | 110 | F116 | S114-F116 PolarHBondContact O-N 2.94Å; S114-F116 WeakPolarHBondContact OG-CE2 3.28Å |
| 115 | T | 46.4 | Very low | 49.1 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -75.7 | 96.2 | 158.1 | 38.7 | 0 | 0 | 0 | 0 | 108.6 | V117 | T115-V117 PolarHBondContact O-N 3.09Š|
| 116 | F | 45.9 | Very low | 49.5 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -73.2 | 88.3 | 158.8 | -77 | -75.9 | 0 | 0 | 0 | 108.5 | S114 R118 | S114-F116 PolarHBondContact O-N 2.94Å; S114-F116 WeakPolarHBondContact OG-CE2 3.28Å; F116-R118 PolarHBondContact O-N 2.93Å |
| 117 | V | 51.2 | Low | 49.9 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | trans | -64.4 | 122.9 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 109.4 | T115 G119 | T115-V117 PolarHBondContact O-N 3.09Å; V117-G119 PolarHBondContact O-N 3.43Å |
| 118 | R | 42.7 | Very low | 50 | Low | 238 Ų | 238 | 140.4 Ų | 140.4 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -31.6 | 96.7 | 158.4 | 179.5 | 174.1 | -80.7 | -173.4 | -6.9 | 112.6 | F116 R120 | F116-R118 PolarHBondContact O-N 2.93Å; R118-R120 PolarHBondContact O-N 2.81Å |
| 119 | G | 45.1 | Very low | 50.2 | Low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -82.3 | 103.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V117 | V117-G119 PolarHBondContact O-N 3.43Š|
| 120 | R | 50.8 | Low | 50.3 | Low | 250 Ų | 250 | 143.6 Ų | 143.6 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | | | trans | -72.7 | 125.5 | 155.2 | -85.6 | -176 | 176.3 | -168.1 | -0 | 108.1 | R118 | R118-R120 PolarHBondContact O-N 2.81Š|
| 121 | G | 47.8 | Very low | 50.4 | Low | 69 Ų | 69 | 149.2 Ų | 149.2 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | -143.9 | 123.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 122 | P | 47.7 | Very low | 50.3 | Low | 136 Ų | 136 | 149.3 Ų | 149.3 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -90.3 | 136.8 | -178.9 | 35 | -29.2 | 0 | 0 | 0 | 110.2 | | |
| 123 | G | 50 | Low | 50.2 | Low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -160.8 | 59.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | G125 | G123-G125 PolarHBondContact O-N 3.26Š|
| 124 | R | 51 | Low | 50.4 | Low | 262 Ų | 262 | 153.2 Ų | 153.2 | 99% | 0.989 | 83% | 0.834 | S | S | * | * | | | trans | -69.9 | 117.2 | 163.6 | -84.1 | -176.9 | 172.5 | -170.5 | -1.7 | 108.8 | | |
| 125 | G | 50.1 | Low | 50.6 | Low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | | | trans | -137.1 | 98.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G123 | G123-G125 PolarHBondContact O-N 3.26Š|
| 126 | T | 59.1 | Low | 50.9 | Low | 139 Ų | 139 | 156.5 Ų | 156.5 | 85% | 0.853 | 85% | 0.85 | S | S | * | * | | | trans | -104 | 123.7 | 158.5 | 46 | 0 | 0 | 0 | 0 | 107.9 | | |
| 127 | P | 60.8 | Low | 51.3 | Low | 130 Ų | 130 | 150 Ų | 150 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | | | trans | -82.7 | 133.1 | 168.2 | 31.1 | -28.3 | 0 | 0 | 0 | 110 | | |
| 128 | R | 52.4 | Low | 51.8 | Low | 253 Ų | 253 | 150.2 Ų | 150.2 | 96% | 0.955 | 84% | 0.844 | S | S | * | * | | | trans | -58.1 | 152.4 | 173.4 | -64.9 | 161.9 | 162.9 | 160.1 | -7.2 | 112.6 | | |
| 129 | G | 51.5 | Low | 52.3 | Low | 72 Ų | 72 | 150.9 Ų | 150.9 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | | | trans | 131.7 | 126.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 130 | M | 52 | Low | 52.8 | Low | 187 Ų | 187 | 155.7 Ų | 155.7 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | | | cis | -149.6 | 141.6 | 19.2 | -69.5 | -171 | 165.9 | 0 | 0 | 109.7 | | |
| 131 | R | 53.9 | Low | 53 | Low | 255 Ų | 255 | 147.8 Ų | 147.8 | 96% | 0.962 | 84% | 0.839 | S | S | * | * | | | trans | -98.7 | 96.7 | 176.4 | -169.2 | -169 | -147.1 | -153.4 | 8.8 | 107.5 | | |
| 132 | V | 52 | Low | 53.7 | Low | 143 Ų | 143 | 150.2 Ų | 150.2 | 87% | 0.867 | 84% | 0.842 | S | S | * | * | | | trans | -154.7 | 130.3 | 165.3 | -169.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 133 | G | 48.7 | Very low | 54.1 | Low | 66 Ų | 66 | 150.3 Ų | 150.3 | 68% | 0.68 | 84% | 0.84 | S | S | * | * | | | cis | -170.2 | 149.8 | 0.7 | 0 | 0 | 0 | 0 | 0 | 105 | G135 | G133-G135 PolarHBondContact O-N 2.74Å; G133-G135 VanDerWaalsContact O-N 3.08Å |
| 134 | R | 52 | Low | 54.3 | Low | 269 Ų | 269 | 155 Ų | 155 | 100% | 1.015 | 84% | 0.841 | S | S | * | * | | | trans | -62.4 | 109.1 | 170 | -62.7 | -179.3 | -175.7 | -142.1 | 1.9 | 107.4 | | |
| 135 | G | 51.2 | Low | 54.2 | Low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | trans | -125.5 | 110.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | G133 G137 | G133-G135 PolarHBondContact O-N 2.74Å; G133-G135 VanDerWaalsContact O-N 3.08Å; G135-G137 PolarHBondContact O-N 2.55Å |
| 136 | Q | 53.2 | Low | 54.1 | Low | 205 Ų | 205 | 149.6 Ų | 149.6 | 96% | 0.958 | 83% | 0.829 | S | S | * | * | | | trans | -58.2 | 125 | 172.8 | -64.6 | 177.4 | 1 | 0 | 0 | 109.9 | | |
| 137 | G | 53.7 | Low | 53.6 | Low | 63 Ų | 63 | 152 Ų | 152 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | | | trans | -107.1 | 151.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G135 | G135-G137 PolarHBondContact O-N 2.55Š|
| 138 | P | 62.1 | Low | 52.9 | Low | 122 Ų | 122 | 152.9 Ų | 152.9 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | | | trans | -68.4 | 135.5 | -157.1 | 28.3 | -34.2 | 0 | 0 | 0 | 112.9 | M140 | P138-M140 PolarHBondContact O-N 2.88Š|
| 139 | R | 54.1 | Low | 52.7 | Low | 251 Ų | 251 | 145.7 Ų | 145.7 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | | | trans | -70.1 | 119.4 | 164.8 | -75.5 | -177.9 | 168 | -174.1 | -3.8 | 108.7 | | |
| 140 | M | 53.9 | Low | 52.5 | Low | 178 Ų | 178 | 148.8 Ų | 148.8 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | -86.6 | 114.5 | 165.8 | -65.8 | -70.7 | -78.4 | 0 | 0 | 108.2 | P138 | P138-M140 PolarHBondContact O-N 2.88Š|
| 141 | A | 55.7 | Low | 52.4 | Low | 84 Ų | 84 | 144.9 Ų | 144.9 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | | | trans | -75 | 154.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T143 | A141-T143 PolarHBondContact O-N 2.94Š|
| 142 | P | 62.9 | Low | 52 | Low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -74.5 | 122.1 | 169 | 12.2 | 0.3 | 0 | 0 | 0 | 109.9 | E144 | P142-E144 PolarHBondContact O-N 2.81Š|
| 143 | T | 56.8 | Low | 52.1 | Low | 138 Ų | 138 | 141.5 Ų | 141.5 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -75.1 | 108.9 | 171.3 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | A141 | A141-T143 PolarHBondContact O-N 2.94Š|
| 144 | E | 52.6 | Low | 52.3 | Low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -77.8 | 139.8 | 165 | -62.4 | 175.9 | 168.1 | 0 | 0 | 110.2 | P142 | P142-E144 PolarHBondContact O-N 2.81Š|
| 145 | S | 50.6 | Low | 52.3 | Low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 175.1 | 158.6 | 144.9 | 48.4 | 0 | 0 | 0 | 0 | 110 | | |
| 146 | P | 47.2 | Very low | 52.2 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | cis | -116.4 | 147.8 | -27.6 | 10.2 | 12.1 | 0 | 0 | 0 | 111.3 | | |
| 147 | Q | 48.5 | Very low | 52 | Low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -65.2 | 134.9 | 165.7 | -61.2 | 173.1 | -67.3 | 0 | 0 | 109.3 | | |
| 148 | D | 47.1 | Very low | 51.9 | Low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -147.7 | 120.3 | 151.2 | -86.4 | -42.6 | 0 | 0 | 0 | 110.1 | | |
| 149 | S | 46.8 | Very low | 51.3 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | 65.1 | 79.6 | 147.7 | -43.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 150 | V | 48.3 | Very low | 51.1 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | | 8 | 131.1 | 102.9 | -103.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 151 | S | 49.7 | Very low | 51 | Low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | 109.4 | 91.1 | 166.6 | -45.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 152 | D | 44.7 | Very low | 50.9 | Low | 156 Ų | 156 | 139.5 Ų | 139.5 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | -177.9 | 70.3 | 127.1 | -87.2 | -15.9 | 0 | 0 | 0 | 109.9 | N154 | D152-N154 PolarHBondContact O-N 2.81Š|
| 153 | L | 54.5 | Low | 50.7 | Low | 170 Ų | 170 | 139.1 Ų | 139.1 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 92.2 | 156.9 | -74.6 | 148.9 | 0 | 0 | 0 | 107 | | |
| 154 | N | 53.8 | Low | 50.5 | Low | 161 Ų | 161 | 144.2 Ų | 144.2 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.5 | 38.8 | 157.4 | -82.1 | -43 | 0 | 0 | 0 | 115.7 | D152 P156 | D152-N154 PolarHBondContact O-N 2.81Å; N154-P156 WeakPolarHBondContact O-CD 3.47Å |
| 155 | A | 51.3 | Low | 50.2 | Low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -99.2 | 113 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 156 | P | 49.3 | Very low | 50.2 | Low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | | | trans | -87.2 | 134.3 | 175.7 | 32.8 | -30 | 0 | 0 | 0 | 112.3 | N154 | N154-P156 WeakPolarHBondContact O-CD 3.47Š|
| 157 | R | 49.1 | Very low | 50.3 | Low | 249 Ų | 249 | 137.7 Ų | 137.7 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | | | trans | 43.6 | 101.1 | 151.6 | -62.5 | -172.8 | 176.5 | 102.8 | 0.1 | 118.7 | | |
| 158 | G | 51 | Low | 50.6 | Low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | trans | -142.8 | 146.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | S160 | G158-S160 PolarHBondContact O-N 3.42Š|
| 159 | P | 49 | Very low | 50.6 | Low | 145 Ų | 145 | 137 Ų | 137 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | | | trans | -74.4 | 76.2 | 173.9 | 31.7 | -30.1 | 0 | 0 | 0 | 107.8 | F161 | P159-F161 PolarHBondContact O-N 3.04Š|
| 160 | S | 51.2 | Low | 50.9 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -86.7 | 103.4 | -177.9 | -166.9 | 0 | 0 | 0 | 0 | 108.8 | G158 | G158-S160 PolarHBondContact O-N 3.42Š|
| 161 | F | 52 | Low | 50.7 | Low | 182 Ų | 182 | 140.5 Ų | 140.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | trans | 44.8 | 103 | 146.3 | -142.9 | -98.8 | 0 | 0 | 0 | 116.5 | P159 P163 | P159-F161 PolarHBondContact O-N 3.04Å; F161-P163 WeakPolarHBondContact O-CD 3.39Å |
| 162 | E | 53.5 | Low | 50.9 | Low | 159 Ų | 159 | 145.9 Ų | 145.9 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | | | trans | -50.8 | 123 | 163.7 | -68.8 | -173.9 | 154.4 | 0 | 0 | 110 | R164 | E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.41Å |
| 163 | P | 58.2 | Low | 50.9 | Low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -68.4 | 106.2 | 152.2 | 29.5 | -25.3 | 0 | 0 | 0 | 104.6 | F161 G165 | F161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-G165 PolarHBondContact O-N 3.16Å |
| 164 | R | 51.8 | Low | 50.7 | Low | 244 Ų | 244 | 141.6 Ų | 141.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -53.4 | 85.2 | 154.5 | -79.1 | 177.3 | 172.2 | 140.6 | -3.1 | 107.6 | E162 | E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.41Å |
| 165 | G | 46.3 | Very low | 50.3 | Low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -173.6 | 25.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P163 G167 | P163-G165 PolarHBondContact O-N 3.16Å; G165-G167 PolarHBondContact O-N 2.8Å |
| 166 | C | 51.7 | Low | 50.2 | Low | 133 Ų | 133 | 142.3 Ų | 142.3 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | | | trans | -77.9 | 107.6 | 174.4 | -153.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 167 | G | 48.1 | Very low | 50.1 | Low | 61 Ų | 61 | 149.3 Ų | 149.3 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | 79.8 | 117.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G165 G169 | G165-G167 PolarHBondContact O-N 2.8Å; G167-G169 PolarHBondContact O-N 3.15Å |
| 168 | R | 54.2 | Low | 50.1 | Low | 262 Ų | 262 | 140.7 Ų | 140.7 | 99% | 0.989 | 79% | 0.789 | S | S | * | * | | | trans | -58.5 | 75.2 | 139 | -68.6 | -175.9 | 179.3 | -165.3 | 0.6 | 107.5 | R170 | R168-R170 PolarHBondContact O-N 2.99Š|
| 169 | G | 47.7 | Very low | 50 | Low | 62 Ų | 62 | 150 Ų | 150 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | -62.2 | 117.1 | 173 | 0 | 0 | 0 | 0 | 0 | 106.1 | G167 G171 | G167-G169 PolarHBondContact O-N 3.15Å; G169-G171 PolarHBondContact O-N 3.33Å |
| 170 | R | 53.5 | Low | 49.7 | Very low | 223 Ų | 223 | 146.3 Ų | 146.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | trans | -45.3 | 112.1 | 168.4 | -62.7 | -179.8 | 178.5 | -168.9 | -1.5 | 106.9 | R168 R172 | R168-R170 PolarHBondContact O-N 2.99Å; R170-R172 PolarHBondContact O-N 3.02Å |
| 171 | G | 44.8 | Very low | 49.9 | Very low | 88 Ų | 88 | 149.8 Ų | 149.8 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -62.5 | 81.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G169 | G169-G171 PolarHBondContact O-N 3.33Š|
| 172 | R | 53.8 | Low | 50 | Low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | trans | -121.1 | 121.1 | 165.7 | -72.2 | -172.5 | -178.2 | -112.8 | -2.4 | 105.4 | R170 | R170-R172 PolarHBondContact O-N 3.02Š|
| 173 | G | 44.6 | Very low | 49.5 | Very low | 51 Ų | 51 | 147.7 Ų | 147.7 | 53% | 0.526 | 80% | 0.8 | S | S | . | * | | | trans | 93.9 | 51.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F175 | G173-F175 PolarHBondContact O-N 3.27Š|
| 174 | M | 50.2 | Low | 48.9 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -86 | 94.8 | 148.6 | -71.8 | -68.4 | 106.5 | 0 | 0 | 107.4 | G176 | M174-G176 PolarHBondContact O-N 2.96Š|
| 175 | F | 44.5 | Very low | 48.6 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | | | trans | -62.9 | 76.5 | 155.2 | -76.9 | -90.9 | 0 | 0 | 0 | 107.8 | G173 R177 | G173-F175 PolarHBondContact O-N 3.27Å; F175-R177 PolarHBondContact O-N 2.96Å |
| 176 | G | 50 | Low | 48.9 | Very low | 63 Ų | 63 | 146 Ų | 146 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -79.5 | 98.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M174 G178 | M174-G176 PolarHBondContact O-N 2.96Å; G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 2.82Å |
| 177 | R | 47.6 | Very low | 49.2 | Very low | 258 Ų | 258 | 149.6 Ų | 149.6 | 97% | 0.974 | 79% | 0.787 | S | S | * | * | | | trans | -59.1 | 94.1 | 159.1 | -61.9 | -158.8 | -150.6 | -102.5 | 9.3 | 107.8 | F175 | F175-R177 PolarHBondContact O-N 2.96Š|
| 178 | G | 49.1 | Very low | 49.6 | Very low | 68 Ų | 68 | 151.6 Ų | 151.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -147.9 | 103.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G176 | G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 2.82Å |
| 179 | R | 48.8 | Very low | 49.7 | Very low | 254 Ų | 254 | 148.6 Ų | 148.6 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | | | trans | -51.4 | 133.1 | -179.2 | -59.9 | 176.2 | -177.1 | -169.3 | -0.3 | 111.5 | | |
| 180 | G | 42.9 | Very low | 50.2 | Low | 68 Ų | 68 | 152.6 Ų | 152.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 70.4 | 104.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 181 | M | 53.6 | Low | 50.2 | Low | 182 Ų | 182 | 147.7 Ų | 147.7 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | | | trans | -122.9 | 122.8 | 143.7 | -88.5 | -62.4 | -174.9 | 0 | 0 | 109 | | |
| 182 | P | 54.4 | Low | 50.5 | Low | 100 Ų | 100 | 151.5 Ų | 151.5 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | trans | -76.3 | 146.6 | -174.6 | 30.5 | -32.7 | 0 | 0 | 0 | 112 | N184 | P182-N184 PolarHBondContact O-N 3.48Š|
| 183 | F | 43.5 | Very low | 50.3 | Low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -65.8 | 78.2 | -174.8 | -63.6 | -91 | 0 | 0 | 0 | 113.8 | | |
| 184 | N | 44.9 | Very low | 50.1 | Low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -136.4 | 80.4 | 174.5 | -64.4 | 35.1 | 0 | 0 | 0 | 111.5 | P182 | P182-N184 PolarHBondContact O-N 3.48Š|
| 185 | S | 46.1 | Very low | 49.9 | Very low | 64 Ų | 64 | 146 Ų | 146 | 45% | 0.448 | 77% | 0.769 | S | S | . | * | | | trans | -151.5 | 71.3 | 159.5 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | R187 D188 | S185-R187 PolarHBondContact O-N 3.24Å; S185-D188 VanDerWaalsContact CB-OD2 3.29Å; S185-D188 WeakPolarHBondContact CB-OD2 3.43Å; S185-D188 PolarHBondContact OG-OD2 2.87Å |
| 186 | N | 53.8 | Low | 50.2 | Low | 176 Ų | 176 | 143.1 Ų | 143.1 | 94% | 0.941 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 35.1 | 151.9 | -76.6 | 6.5 | 0 | 0 | 0 | 111.6 | | |
| 187 | R | 56.8 | Low | 50.2 | Low | 209 Ų | 209 | 152.4 Ų | 152.4 | 79% | 0.789 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 0.4 | -178 | -87.7 | -174.1 | -175.5 | 159.2 | 1.8 | 113.3 | S185 F189 | S185-R187 PolarHBondContact O-N 3.24Å; R187-F189 VanDerWaalsContact C-N 3.34Å |
| 188 | D | 56.6 | Low | 50.2 | Low | 102 Ų | 102 | 148.8 Ų | 148.8 | 55% | 0.545 | 77% | 0.773 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | 1.6 | -175.8 | -60.9 | -27.3 | 0 | 0 | 0 | 113.7 | S185 | S185-D188 VanDerWaalsContact CB-OD2 3.29Å; S185-D188 WeakPolarHBondContact CB-OD2 3.43Å; S185-D188 PolarHBondContact OG-OD2 2.87Å |
| 189 | F | 55.8 | Low | 50.1 | Low | 199 Ų | 199 | 148.6 Ų | 148.6 | 87% | 0.873 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -8.8 | 179.8 | -80.6 | -81 | 0 | 0 | 0 | 115.1 | R187 | R187-F189 VanDerWaalsContact C-N 3.34Š|
| 190 | D | 58.9 | Low | 50 | Low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -109.7 | 12.5 | -178.2 | -80.1 | -30.7 | 0 | 0 | 0 | 113.9 | | |
| 191 | N | 54.1 | Low | 50.3 | Low | 121 Ų | 121 | 149.7 Ų | 149.7 | 65% | 0.647 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -119.3 | 25.8 | -176.3 | -75.3 | -32.3 | 0 | 0 | 0 | 114.3 | | |
| 192 | Q | 51.3 | Low | 50.1 | Low | 168 Ų | 168 | 149.8 Ų | 149.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -131.3 | 34.5 | 177.3 | -64.3 | -65 | -35.8 | 0 | 0 | 113.1 | G194 | Q192-G194 PolarHBondContact O-N 2.92Š|
| 193 | D | 49.1 | Very low | 49.9 | Very low | 160 Ų | 160 | 154.6 Ų | 154.6 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -64 | 124.3 | 147.4 | -83.4 | -40.5 | 0 | 0 | 0 | 107.5 | | |
| 194 | G | 40.5 | Very low | 49.9 | Very low | 64 Ų | 64 | 149.2 Ų | 149.2 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -58.1 | -178 | -162.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q192 | Q192-G194 PolarHBondContact O-N 2.92Š|
| 195 | P | 46.6 | Very low | 50.2 | Low | 114 Ų | 114 | 153.3 Ų | 153.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | cis | -149.7 | 77.8 | 44.4 | 38.2 | -14.2 | 0 | 0 | 0 | 114.8 | | |
| 196 | D | 50.3 | Low | 50.3 | Low | 145 Ų | 145 | 161.8 Ų | 161.8 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | | | trans | -111 | 52.7 | -170 | -69.6 | -16.5 | 0 | 0 | 0 | 115.4 | Q198 | D196-Q198 PolarHBondContact O-N 3.41Š|
| 197 | R | 49.8 | Very low | 50.1 | Low | 257 Ų | 257 | 160.6 Ų | 160.6 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | | | trans | -74.4 | 38.8 | 158.4 | -80.4 | -168.9 | 178.7 | 173.7 | 1 | 112.2 | | |
| 198 | Q | 48.5 | Very low | 49.5 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -127.7 | 98.5 | 173.8 | -69.2 | -169 | 7.6 | 0 | 0 | 110.4 | D196 | D196-Q198 PolarHBondContact O-N 3.41Š|
| 199 | G | 46.1 | Very low | 49 | Very low | 64 Ų | 64 | 155.4 Ų | 155.4 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | trans | -155.3 | 124.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | R201 | G199-R201 PolarHBondContact O-N 3.33Å; G199-R201 VanDerWaalsContact O-N 3.13Å |
| 200 | P | 46.3 | Very low | 48.7 | Very low | 132 Ų | 132 | 156.7 Ų | 156.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -80 | 105.3 | -161.3 | 31.3 | -32.9 | 0 | 0 | 0 | 110.8 | | |
| 201 | R | 49.3 | Very low | 48.3 | Very low | 213 Ų | 213 | 157 Ų | 157 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -125.5 | 82.3 | 156.8 | -78.4 | -174.2 | 170.4 | -118.3 | 1.1 | 108.9 | G199 Y203 | G199-R201 PolarHBondContact O-N 3.33Å; G199-R201 VanDerWaalsContact O-N 3.13Å; R201-Y203 PolarHBondContact O-N 3.1Å; R201-Y203 VanDerWaalsContact O-N 3.16Å |
| 202 | Q | 49.8 | Very low | 48.1 | Very low | 184 Ų | 184 | 156 Ų | 156 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -65.8 | 98.8 | 154 | -70.4 | 177.7 | -22.5 | 0 | 0 | 108.2 | | |
| 203 | Y | 49.1 | Very low | 48.2 | Very low | 200 Ų | 200 | 156.2 Ų | 156.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -145.7 | 96.2 | 150.7 | -69.4 | -80.7 | 0 | 0 | 0 | 103.1 | R201 R205 | R201-Y203 PolarHBondContact O-N 3.1Å; R201-Y203 VanDerWaalsContact O-N 3.16Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 3.27Å |
| 204 | G | 44 | Very low | 48.2 | Very low | 85 Ų | 85 | 157.1 Ų | 157.1 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | | | | 76.1 | 24.6 | 64.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 205 | R | 50.8 | Low | 48.8 | Very low | 234 Ų | 234 | 159.3 Ų | 159.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -117.5 | 110 | 161.7 | -74 | -149.3 | -171.2 | -94.5 | 3.1 | 109.4 | Y203 D207 | Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 3.27Å; R205-D207 PolarHBondContact O-N 3.05Å |
| 206 | R | 49.8 | Very low | 49 | Very low | 241 Ų | 241 | 161.4 Ų | 161.4 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -8.9 | 119.4 | 164.7 | -77.7 | 177.8 | -177.7 | -175.4 | -1.5 | 113.4 | G208 | R206-G208 PolarHBondContact O-N 3.41Š|
| 207 | D | 49.2 | Very low | 48.7 | Very low | 152 Ų | 152 | 157.9 Ų | 157.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | | | trans | -41.1 | 108.1 | 152.6 | -51.3 | -64.9 | 0 | 0 | 0 | 108.9 | R205 N209 | R205-D207 PolarHBondContact O-N 3.05Å; D207-N209 PolarHBondContact O-N 3.1Å |
| 208 | G | 43.9 | Very low | 48.4 | Very low | 68 Ų | 68 | 154.5 Ų | 154.5 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | -70.6 | 72.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R206 W210 | R206-G208 PolarHBondContact O-N 3.41Å; G208-W210 PolarHBondContact O-N 3.17Å |
| 209 | N | 45.7 | Very low | 48.3 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | trans | -57.3 | 98.2 | 168 | 177.8 | 27.9 | 0 | 0 | 0 | 109.1 | D207 | D207-N209 PolarHBondContact O-N 3.1Š|
| 210 | W | 49.6 | Very low | 48.8 | Very low | 226 Ų | 226 | 157.2 Ų | 157.2 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | -130.1 | 67.2 | 165.2 | -74.9 | 88.2 | 0 | 0 | 0 | 108.2 | G208 | G208-W210 PolarHBondContact O-N 3.17Š|
| 211 | N | 49.9 | Very low | 49.6 | Very low | 151 Ų | 151 | 156.7 Ų | 156.7 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | | | trans | -123.1 | 95.2 | 152.4 | -94.1 | -11.7 | 0 | 0 | 0 | 108.1 | Q213 | N211-Q213 PolarHBondContact O-N 3.36Š|
| 212 | S | 49.7 | Very low | 49.4 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 92.9 | 169.4 | 16.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 213 | Q | 53.3 | Low | 49.2 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.3 | -2.8 | 159.9 | -108.2 | 155.9 | 34.4 | 0 | 0 | 119.4 | N211 V215 | N211-Q213 PolarHBondContact O-N 3.36Å; Q213-V215 PolarHBondContact O-N 3.07Å |
| 214 | D | 49.3 | Very low | 49.1 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | | | trans | -83.6 | 61.7 | 173.9 | -67.1 | -21.3 | 0 | 0 | 0 | 111 | | |
| 215 | V | 54.6 | Low | 49 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 67% | 0.667 | 81% | 0.807 | S | S | * | * | | | trans | -101.5 | 126.3 | 164.4 | 173.7 | 0 | 0 | 0 | 0 | 105.1 | Q213 | Q213-V215 PolarHBondContact O-N 3.07Š|
| 216 | D | 49.5 | Very low | 49 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | 79.1 | 117.8 | 171 | -48.9 | -32 | 0 | 0 | 0 | 117.5 | | |
| 217 | G | 44.3 | Very low | 48.9 | Very low | 70 Ų | 70 | 140.5 Ų | 140.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | 153.9 | 51 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | T219 | G217-T219 PolarHBondContact O-N 3.43Š|
| 218 | Q | 44.4 | Very low | 48.8 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 7.6 | 109.4 | 147.8 | -58 | -177 | -7.8 | 0 | 0 | 117.1 | | |
| 219 | T | 46.9 | Very low | 48.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | -97 | 102.8 | 153.9 | 40.3 | 0 | 0 | 0 | 0 | 108.9 | G217 | G217-T219 PolarHBondContact O-N 3.43Š|
| 220 | M | 54.7 | Low | 49.1 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | -82 | 129.7 | 162 | -74.9 | -74.8 | -78.3 | 0 | 0 | 108.9 | | |
| 221 | P | 63.6 | Low | 48.9 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -90.1 | 111.4 | 154.4 | 31.1 | -24 | 0 | 0 | 0 | 108.9 | | |
| 222 | E | 46.2 | Very low | 48.9 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -85.7 | 139.9 | 168.4 | -165.2 | 179.9 | 179.4 | 0 | 0 | 109.3 | | |
| 223 | S | 45.3 | Very low | 48.8 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | 98.4 | 118.7 | 159.8 | -41.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 224 | G | 46.4 | Very low | 48.4 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 129.9 | 68.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 225 | D | 41.5 | Very low | 48.4 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | | 90.2 | 150.6 | 96.3 | -159.3 | 10.3 | 0 | 0 | 0 | 112.7 | | |
| 226 | S | 50.9 | Low | 48.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | 74.6 | 90.2 | -175 | 64.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 227 | E | 48 | Very low | 48.2 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | | | trans | -30.6 | 138.3 | 142.1 | -53.2 | 170.1 | 150.5 | 0 | 0 | 112.6 | | |
| 228 | Q | 46.9 | Very low | 48.4 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | | -176.8 | 104.5 | 128.6 | -71.2 | -144.1 | 36.8 | 0 | 0 | 108.7 | | |
| 229 | V | 44 | Very low | 49 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -79.3 | 117.2 | 162.2 | 171.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 230 | V | 51.6 | Low | 49.3 | Very low | 95 Ų | 95 | 149.4 Ų | 149.4 | 58% | 0.576 | 79% | 0.792 | S | S | * | * | | | trans | -135.1 | 113.9 | 165.9 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | F232 | V230-F232 HydrophobicContact CG1-CD2 3.39Å; V230-F232 HydrophobicContact CG1-CE2 3.15Å; V230-F232 HydrophobicContact CG1-CZ 4.13Å |
| 231 | R | 45.8 | Very low | 49 | Very low | 227 Ų | 227 | 149 Ų | 149 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -95.8 | 131.4 | 169.8 | -68.4 | 178.6 | 169.2 | -143.9 | -1.3 | 108.6 | | |
| 232 | F | 50 | Low | 48.4 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -142.5 | 104.6 | 159.2 | -70 | -70.2 | 0 | 0 | 0 | 105.8 | V230 | V230-F232 HydrophobicContact CG1-CD2 3.39Å; V230-F232 HydrophobicContact CG1-CE2 3.15Å; V230-F232 HydrophobicContact CG1-CZ 4.13Å |
| 233 | A | 48 | Very low | 48.8 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | | 61.4 | 98.7 | 92.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 234 | D | 44.4 | Very low | 49 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | | 63.7 | 124.5 | 93.1 | -104.8 | -14.4 | 0 | 0 | 0 | 113.7 | | |
| 235 | D | 48.9 | Very low | 49 | Very low | 155 Ų | 155 | 153.3 Ų | 153.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | 154.2 | 84.8 | 156.1 | -78 | -17.4 | 0 | 0 | 0 | 109.2 | | |
| 236 | R | 51.3 | Low | 49.3 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | | 43.7 | 106.8 | 93 | -62.3 | -171.8 | -169.4 | 172.4 | 5.5 | 115.5 | | |
| 237 | N | 48.5 | Very low | 49.1 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | | -173.9 | 138.7 | 116.4 | -102.7 | -10 | 0 | 0 | 0 | 112.9 | | |
| 238 | E | 49.6 | Very low | 48.8 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | trans | -71.6 | 176.7 | 176.3 | -59.8 | 174.2 | 155 | 0 | 0 | 112.2 | | |
| 239 | V | 57.4 | Low | 48.6 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | trans | 135.9 | 110.1 | 138.8 | 174.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 240 | E | 52.8 | Low | 48.7 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 52.3 | 138.8 | 138.2 | -66.1 | 156.5 | 172.8 | 0 | 0 | 119 | | |
| 241 | D | 47.7 | Very low | 48.3 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | | | cis | -168.7 | 160.1 | 42 | -126.4 | -21.7 | 0 | 0 | 0 | 111 | | |
| 242 | Q | 52.2 | Low | 48.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -93.3 | -144.3 | -165.8 | -66.1 | -136.5 | -32.5 | 0 | 0 | 117 | | |
| 243 | P | 54.1 | Low | 48 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 60% | 0.597 | 76% | 0.759 | S | S | * | * | | | | -136.8 | -144.6 | -101 | 45.5 | -23.6 | 0 | 0 | 0 | 114.2 | | |
| 244 | E | 49.7 | Very low | 47.9 | Very low | 150 Ų | 150 | 148.5 Ų | 148.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | 91.2 | 133.9 | 164 | -42.9 | -170.5 | -178.8 | 0 | 0 | 116.7 | | |
| 245 | H | 46.3 | Very low | 48.2 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | cis | -151.1 | 138.9 | 37.5 | -57.1 | -84.9 | 0 | 0 | 0 | 109.1 | | |
| 246 | A | 47.4 | Very low | 48.3 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | | | | 54 | 125.3 | 64.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 247 | T | 47 | Very low | 48.3 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | cis | -179.2 | 142.5 | 44.5 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 248 | N | 41.6 | Very low | 48.5 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | | 147.8 | 109 | 115.8 | -78.5 | -25.6 | 0 | 0 | 0 | 106.2 | | |
| 249 | F | 42.8 | Very low | 48.6 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | | 42.9 | 105.4 | 66.4 | -81.1 | -80.3 | 0 | 0 | 0 | 114.5 | | |
| 250 | D | 45.2 | Very low | 48.1 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 74% | 0.736 | S | S | * | * | | | | -161.3 | 125.3 | 120.1 | -98.7 | -21.8 | 0 | 0 | 0 | 111.5 | | |
| 251 | I | 43.6 | Very low | 48.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 59% | 0.585 | 74% | 0.735 | S | S | * | * | | | trans | -95.6 | 132.3 | 175.1 | -68.3 | 162.3 | 0 | 0 | 0 | 105.8 | | |
| 252 | H | 46.6 | Very low | 48.4 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | -144.4 | 94.5 | 152.3 | -100.5 | -60 | 0 | 0 | 0 | 109.7 | | |
| 253 | D | 43.7 | Very low | 48.2 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | -56.1 | 168.6 | 147.4 | -74.3 | -50.6 | 0 | 0 | 0 | 110.7 | | |
| 254 | D | 44.6 | Very low | 47.9 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | 85.6 | 98.8 | 161.2 | -53.7 | -28.8 | 0 | 0 | 0 | 117.7 | | |
| 255 | S | 51 | Low | 47.8 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | | 175.7 | 106.9 | 118.2 | 37.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 256 | L | 52 | Low | 47.9 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | | 63.5 | 105 | 93.4 | -65.7 | 168.2 | 0 | 0 | 0 | 111.1 | | |
| 257 | L | 50.2 | Low | 48 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | | 58.5 | 90.5 | 86.5 | -146.9 | 161.3 | 0 | 0 | 0 | 109.7 | | |
| 258 | Y | 52.5 | Low | 48 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | 178.9 | 108.9 | 141.5 | -119.2 | -118 | 0 | 0 | 0 | 106.9 | | |
| 259 | Y | 52.9 | Low | 48.5 | Very low | 176 Ų | 176 | 154.5 Ų | 154.5 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | | 82.5 | 143 | 96.7 | -107.4 | -96.1 | 0 | 0 | 0 | 112.4 | | |
| 260 | S | 46.4 | Very low | 48.9 | Very low | 83 Ų | 83 | 152.6 Ų | 152.6 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | | | trans | 90.8 | 113.6 | 139 | -92.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 261 | I | 52.3 | Low | 49.2 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | 82.3 | 94.4 | 127.3 | -57.3 | 161.6 | 0 | 0 | 0 | 113.5 | | |
| 262 | M | 55 | Low | 49.7 | Very low | 261 Ų | 261 | 155.1 Ų | 155.1 | 100% | 1.286 | 78% | 0.783 | S | S | * | * | | | | -160.5 | 0 | 89.7 | -82 | -153.7 | -166.1 | 0 | 0 | 110.9 | | |