| 1 | M | 61 | Low | 63.7 | Low | 249 Ų | 249 | 146.2 Ų | 146.2 | 100% | 1.227 | 76% | 0.764 | S | S | * | * | | | | 0 | 117.6 | 0 | -69.1 | 160.9 | 126.9 | 0 | 0 | 106.4 | | |
| 2 | S | 65.3 | Low | 63.3 | Low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -83 | 131.7 | 176.5 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | P4 | S2-P4 WeakPolarHBondContact O-CD 3.49Š|
| 3 | D | 68.4 | Low | 63 | Low | 100 Ų | 100 | 142.1 Ų | 142.1 | 54% | 0.535 | 77% | 0.77 | S | S | . | * | | | trans | -66 | 120.9 | 178.6 | -170 | -27.9 | 0 | 0 | 0 | 110.4 | Y5 | D3-Y5 PolarHBondContact O-N 2.9Å; D3-Y5 PolarHBondContact OD1-N 3.23Å |
| 4 | P | 66.8 | Low | 63 | Low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -13 | -179.1 | -20.8 | 32.8 | 0 | 0 | 0 | 115.5 | S2 | S2-P4 WeakPolarHBondContact O-CD 3.49Š|
| 5 | Y | 64.4 | Low | 62.9 | Low | 201 Ų | 201 | 136.3 Ų | 136.3 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -1.3 | -174.2 | -64.1 | -78.9 | 0 | 0 | 0 | 114.4 | D3 | D3-Y5 PolarHBondContact O-N 2.9Å; D3-Y5 PolarHBondContact OD1-N 3.23Å |
| 6 | M | 73.8 | Confident | 62.9 | Low | 134 Ų | 134 | 135.6 Ų | 135.6 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -100.5 | 117.5 | 173.3 | -72.4 | -73.3 | 101.9 | 0 | 0 | 109.6 | S8 | M6-S8 PolarHBondContact O-N 3.04Š|
| 7 | P | 62 | Low | 62.7 | Low | 83 Ų | 83 | 134.6 Ų | 134.6 | 54% | 0.539 | 75% | 0.748 | S | S | . | * | | | trans | -60.5 | 121.8 | 167.9 | -15.7 | 28.2 | 0 | 0 | 0 | 108.4 | Y9 | P7-Y9 VanDerWaalsContact C-N 3.33Å; P7-Y9 HydrophobicContact CB-CD2 4.48Å; P7-Y9 HydrophobicContact CB-CE2 4.1Å; P7-Y9 HydrophobicContact CG-CE2 4.28Å; P7-Y9 WeakPolarHBondContact O-CD2 3.22Å; P7-Y9 PolarHBondContact O-N 3.05Å |
| 8 | S | 64 | Low | 62.3 | Low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -63.8 | 93.5 | 171.1 | -65.4 | 0 | 0 | 0 | 0 | 109.2 | M6 Y10 | M6-S8 PolarHBondContact O-N 3.04Å; S8-Y10 PolarHBondContact O-N 2.81Å |
| 9 | Y | 60.2 | Low | 61.9 | Low | 202 Ų | 202 | 132 Ų | 132 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | | | trans | -68.9 | -9.2 | 176.6 | -75.6 | -80.5 | 0 | 0 | 0 | 113.6 | P7 | P7-Y9 VanDerWaalsContact C-N 3.33Å; P7-Y9 HydrophobicContact CB-CD2 4.48Å; P7-Y9 HydrophobicContact CB-CE2 4.1Å; P7-Y9 HydrophobicContact CG-CE2 4.28Å; P7-Y9 WeakPolarHBondContact O-CD2 3.22Å; P7-Y9 PolarHBondContact O-N 3.05Å |
| 10 | Y | 58.7 | Low | 61.6 | Low | 213 Ų | 213 | 132.3 Ų | 132.3 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -95 | 99.8 | 168.7 | -63.8 | -80.3 | 0 | 0 | 0 | 108 | S8 | S8-Y10 PolarHBondContact O-N 2.81Š|
| 11 | A | 56.8 | Low | 61.3 | Low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -55.9 | 136.5 | 166 | 0 | 0 | 0 | 0 | 0 | 108.3 | S13 | A11-S13 PolarHBondContact O-N 3.5Å; A11-S13 VanDerWaalsContact O-N 3.16Å |
| 12 | P | 58.3 | Low | 61 | Low | 113 Ų | 113 | 122.8 Ų | 122.8 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | | | trans | -55.3 | 125.6 | 171.4 | -18.4 | 29.2 | 0 | 0 | 0 | 108.1 | I14 | P12-I14 VanDerWaalsContact C-N 3.35Å; P12-I14 PolarHBondContact O-N 3.2Å |
| 13 | S | 59.8 | Low | 60.4 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 88% | 0.881 | 66% | 0.656 | S | S | * | * | | | trans | -57.6 | 103.3 | 167.9 | -67.1 | 0 | 0 | 0 | 0 | 107.6 | A11 G15 | A11-S13 PolarHBondContact O-N 3.5Å; A11-S13 VanDerWaalsContact O-N 3.16Å; S13-G15 PolarHBondContact O-N 2.85Å |
| 14 | I | 62.9 | Low | 59.6 | Low | 128 Ų | 128 | 119.1 Ų | 119.1 | 66% | 0.656 | 68% | 0.676 | S | S | * | * | | | trans | -67.8 | 100.1 | 171.4 | -74 | 166.5 | 0 | 0 | 0 | 105.8 | P12 F16 | P12-I14 VanDerWaalsContact C-N 3.35Å; P12-I14 PolarHBondContact O-N 3.2Å; I14-F16 HydrophobicContact CG2-CD1 4.18Å; I14-F16 HydrophobicContact CG2-CE1 3.87Å; I14-F16 HydrophobicContact CG2-CE2 4.27Å; I14-F16 HydrophobicContact CG2-CZ 3.91Å; I14-F16 PolarHBondContact O-N 3.23Å |
| 15 | G | 61.2 | Low | 59 | Low | 70 Ų | 70 | 122.7 Ų | 122.7 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | | | trans | -69.4 | 110.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S13 | S13-G15 PolarHBondContact O-N 2.85Š|
| 16 | F | 63.1 | Low | 58.5 | Low | 124 Ų | 124 | 115 Ų | 115 | 54% | 0.544 | 65% | 0.649 | S | S | . | * | | | trans | -72.7 | 136.6 | 173.1 | -65.5 | -78.3 | 0 | 0 | 0 | 109.3 | I14 Y18 | I14-F16 HydrophobicContact CG2-CD1 4.18Å; I14-F16 HydrophobicContact CG2-CE1 3.87Å; I14-F16 HydrophobicContact CG2-CE2 4.27Å; I14-F16 HydrophobicContact CG2-CZ 3.91Å; I14-F16 PolarHBondContact O-N 3.23Å; F16-Y18 HydrophobicContact CB-CD2 3.88Å; F16-Y18 HydrophobicContact CB-CE2 3.67Å; F16-Y18 AromaticContact CD1-CE2 3.8Å; F16-Y18 HydrophobicContact CD1-CE2 3.8Å; F16-Y18 HydrophobicContact CG-CE2 4.04Å; F16-Y18 PolarHBondContact O-N 3.01Å; F16-Y18 VanDerWaalsContact O-N 3.17Å |
| 17 | P | 60.2 | Low | 57.8 | Low | 119 Ų | 119 | 113.9 Ų | 113.9 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -77 | 7.2 | -177 | 30.6 | -34.4 | 0 | 0 | 0 | 114.1 | | |
| 18 | Y | 54.2 | Low | 57.5 | Low | 147 Ų | 147 | 114 Ų | 114 | 58% | 0.576 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -119.2 | 131.6 | 179.8 | 14 | -90.1 | 0 | 0 | 0 | 109.5 | F16 L20 | F16-Y18 HydrophobicContact CB-CD2 3.88Å; F16-Y18 HydrophobicContact CB-CE2 3.67Å; F16-Y18 AromaticContact CD1-CE2 3.8Å; F16-Y18 HydrophobicContact CD1-CE2 3.8Å; F16-Y18 HydrophobicContact CG-CE2 4.04Å; F16-Y18 PolarHBondContact O-N 3.01Å; F16-Y18 VanDerWaalsContact O-N 3.17Å; Y18-L20 PolarHBondContact O-N 3.18Å |
| 19 | S | 55.8 | Low | 57.3 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 51% | 0.51 | 65% | 0.654 | S | S | . | * | | | trans | -58.3 | 130.5 | 177 | -44.5 | 0 | 0 | 0 | 0 | 109.2 | G21 E22 | S19-G21 PolarHBondContact O-N 2.85Å; S19-E22 WeakPolarHBondContact CB-OE1 3.41Å; S19-E22 PolarHBondContact O-N 3.17Å; S19-E22 PolarHBondContact OG-OE1 3.04Å |
| 20 | L | 54.8 | Low | 57.1 | Low | 137 Ų | 137 | 107.7 Ų | 107.7 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -13.2 | 176 | -118.9 | 75.8 | 0 | 0 | 0 | 113.7 | Y18 S26 | Y18-L20 PolarHBondContact O-N 3.18Å; L20-S26 PolarHBondContact O-OG 2.86Å; L20-S26 VanDerWaalsContact O-OG 3.09Å |
| 21 | G | 54.9 | Low | 57.2 | Low | 43 Ų | 43 | 105 Ų | 105 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -12.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S19 S26 | S19-G21 PolarHBondContact O-N 2.85Å; G21-S26 WeakPolarHBondContact O-CB 3.14Å |
| 22 | E | 55.5 | Low | 57.3 | Low | 139 Ų | 139 | 106.6 Ų | 106.6 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -99 | -1 | -174.9 | -63.1 | 167 | -143.1 | 0 | 0 | 113.2 | S19 | S19-E22 WeakPolarHBondContact CB-OE1 3.41Å; S19-E22 PolarHBondContact O-N 3.17Å; S19-E22 PolarHBondContact OG-OE1 3.04Å |
| 23 | A | 52.8 | Low | 57.4 | Low | 24 Ų | 24 | 105.4 Ų | 105.4 | 20% | 0.198 | 63% | 0.63 | C | S | . | * | S | Bend | trans | -63.4 | 142.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | W25 S26 | A23-W25 HydrophobicContact CB-CD2 3.44Å; A23-W25 VanDerWaalsContact CB-CD2 3.44Å; A23-W25 HydrophobicContact CB-CE3 3.69Å; A23-W25 HydrophobicContact CB-CG 4.14Å; A23-W25 HydrophobicContact CB-CH2 3.47Å; A23-W25 VanDerWaalsContact CB-CH2 3.47Å; A23-W25 HydrophobicContact CB-CZ2 3.2Å; A23-W25 HydrophobicContact CB-CZ3 3.7Å; A23-W25 PolarHBondContact O-N 3.16Å; A23-S26 WeakPolarHBondContact O-CA 3.13Å; A23-S26 VanDerWaalsContact O-CB 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.38Å; A23-S26 PolarHBondContact O-N 3.23Å |
| 24 | A | 52 | Low | 57.3 | Low | 114 Ų | 114 | 104.6 Ų | 104.6 | 94% | 0.942 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -11 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 25 | W | 53.3 | Low | 56.7 | Low | 193 Ų | 193 | 106.5 Ų | 106.5 | 73% | 0.731 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -8.2 | 173.9 | 38.2 | -100.3 | 0 | 0 | 0 | 113.7 | A23 T27 | A23-W25 HydrophobicContact CB-CD2 3.44Å; A23-W25 VanDerWaalsContact CB-CD2 3.44Å; A23-W25 HydrophobicContact CB-CE3 3.69Å; A23-W25 HydrophobicContact CB-CG 4.14Å; A23-W25 HydrophobicContact CB-CH2 3.47Å; A23-W25 VanDerWaalsContact CB-CH2 3.47Å; A23-W25 HydrophobicContact CB-CZ2 3.2Å; A23-W25 HydrophobicContact CB-CZ3 3.7Å; A23-W25 PolarHBondContact O-N 3.16Å; W25-T27 PolarHBondContact O-N 2.84Å |
| 26 | S | 54.4 | Low | 56.4 | Low | 39 Ų | 39 | 110 Ų | 110 | 27% | 0.273 | 62% | 0.623 | S | S | . | * | | | trans | -77.2 | 105.8 | 172.2 | -71.4 | 0 | 0 | 0 | 0 | 108.5 | L20 G21 A23 A28 | L20-S26 PolarHBondContact O-OG 2.86Å; L20-S26 VanDerWaalsContact O-OG 3.09Å; G21-S26 WeakPolarHBondContact O-CB 3.14Å; A23-S26 WeakPolarHBondContact O-CA 3.13Å; A23-S26 VanDerWaalsContact O-CB 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.38Å; A23-S26 PolarHBondContact O-N 3.23Å; S26-A28 PolarHBondContact O-N 3.27Å |
| 27 | T | 59.1 | Low | 55.7 | Low | 111 Ų | 111 | 109.5 Ų | 109.5 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | | | trans | -68.1 | 47.4 | 168 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | W25 G29 D30 | W25-T27 PolarHBondContact O-N 2.84Å; T27-G29 PolarHBondContact O-N 2.97Å; T27-D30 HydrophobicContact CG2-CB 3.34Å |
| 28 | A | 54.7 | Low | 55.2 | Low | 84 Ų | 84 | 108.4 Ų | 108.4 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -80.3 | 45.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S26 | S26-A28 PolarHBondContact O-N 3.27Š|
| 29 | G | 60.2 | Low | 55.1 | Low | 69 Ų | 69 | 113.3 Ų | 113.3 | 71% | 0.711 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 150 | 10.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | T27 Q31 | T27-G29 PolarHBondContact O-N 2.97Å; G29-Q31 PolarHBondContact O-N 3.17Å |
| 30 | D | 57.2 | Low | 55.2 | Low | 114 Ų | 114 | 112.2 Ų | 112.2 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 125.9 | 174.5 | -154.8 | 11 | 0 | 0 | 0 | 109.2 | T27 | T27-D30 HydrophobicContact CG2-CB 3.34Š|
| 31 | Q | 60 | Low | 54.7 | Low | 157 Ų | 157 | 113 Ų | 113 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140 | 177.1 | -72.3 | -92.4 | -91.4 | 0 | 0 | 108.2 | G29 M33 | G29-Q31 PolarHBondContact O-N 3.17Å; Q31-M33 PolarHBondContact O-N 2.73Å |
| 32 | P | 60 | Low | 54.7 | Low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 116.6 | 177.1 | 22.7 | -31.5 | 0 | 0 | 0 | 108.5 | P34 | P32-P34 WeakPolarHBondContact O-CD 3.29Å; P32-P34 VanDerWaalsContact O-N 3.14Å |
| 33 | M | 58.4 | Low | 54.2 | Low | 88 Ų | 88 | 117 Ų | 117 | 43% | 0.433 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 119.9 | 177.6 | -82.7 | -66.4 | -144.7 | 0 | 0 | 109 | Q31 Y35 L36 | Q31-M33 PolarHBondContact O-N 2.73Å; M33-Y35 HydrophobicContact CB-CD1 4.33Å; M33-Y35 HydrophobicContact CB-CD2 4.19Å; M33-Y35 HydrophobicContact CB-CE1 3.88Å; M33-Y35 HydrophobicContact CB-CE2 3.72Å; M33-Y35 HydrophobicContact CB-CG 4.5Å; M33-Y35 HydrophobicContact CE-CE1 3.94Å; M33-Y35 WeakPolarHBondContact CE-OH 3.43Å; M33-Y35 HydrophobicContact CG-CE1 4.04Å; M33-Y35 HydrophobicContact CG-CE2 4.15Å; M33-Y35 WeakPolarHBondContact CG-OH 3.3Å; M33-Y35 PolarHBondContact O-N 3.37Å; M33-Y35 HydrophobicContact SD-CD1 4.46Å; M33-Y35 HydrophobicContact SD-CE1 3.45Å; M33-Y35 WeakPolarHBondContact SD-CE1 3.49Å; M33-Y35 VanDerWaalsContact SD-CZ 3.55Å; M33-Y35 PolarHBondContact SD-OH 3.36Å; M33-Y35 VanDerWaalsContact SD-OH 3.35Å; M33-L36 PolarHBondContact O-N 3.27Å; M33-L36 VanDerWaalsContact O-N 3.09Å |
| 34 | P | 58.3 | Low | 53.8 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -8.6 | -167.3 | 25.1 | -34.5 | 0 | 0 | 0 | 113.8 | P32 | P32-P34 WeakPolarHBondContact O-CD 3.29Å; P32-P34 VanDerWaalsContact O-N 3.14Å |
| 35 | Y | 50.3 | Low | 54 | Low | 168 Ų | 168 | 121.4 Ų | 121.4 | 66% | 0.659 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -6.1 | 177.9 | 45.2 | -102.3 | 0 | 0 | 0 | 113.9 | M33 | M33-Y35 HydrophobicContact CB-CD1 4.33Å; M33-Y35 HydrophobicContact CB-CD2 4.19Å; M33-Y35 HydrophobicContact CB-CE1 3.88Å; M33-Y35 HydrophobicContact CB-CE2 3.72Å; M33-Y35 HydrophobicContact CB-CG 4.5Å; M33-Y35 HydrophobicContact CE-CE1 3.94Å; M33-Y35 WeakPolarHBondContact CE-OH 3.43Å; M33-Y35 HydrophobicContact CG-CE1 4.04Å; M33-Y35 HydrophobicContact CG-CE2 4.15Å; M33-Y35 WeakPolarHBondContact CG-OH 3.3Å; M33-Y35 PolarHBondContact O-N 3.37Å; M33-Y35 HydrophobicContact SD-CD1 4.46Å; M33-Y35 HydrophobicContact SD-CE1 3.45Å; M33-Y35 WeakPolarHBondContact SD-CE1 3.49Å; M33-Y35 VanDerWaalsContact SD-CZ 3.55Å; M33-Y35 PolarHBondContact SD-OH 3.36Å; M33-Y35 VanDerWaalsContact SD-OH 3.35Å |
| 36 | L | 54.9 | Low | 53.9 | Low | 143 Ų | 143 | 119.4 Ų | 119.4 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -102.4 | 62.6 | 166.2 | -78.2 | 163.3 | 0 | 0 | 0 | 109.5 | M33 T38 | M33-L36 PolarHBondContact O-N 3.27Å; M33-L36 VanDerWaalsContact O-N 3.09Å; L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.01Å |
| 37 | T | 47.9 | Very low | 53.9 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 72% | 0.715 | S | S | * | * | | | trans | -58.5 | 98.6 | 164.3 | -63.6 | 0 | 0 | 0 | 0 | 108.8 | Y39 | T37-Y39 PolarHBondContact O-N 2.87Š|
| 38 | T | 50.5 | Low | 53.5 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 60% | 0.595 | 72% | 0.717 | S | S | * | * | | | trans | 16.8 | 90.7 | 141.2 | -55.7 | 0 | 0 | 0 | 0 | 115.4 | L36 G40 Q41 | L36-T38 VanDerWaalsContact C-N 3.31Å; L36-T38 PolarHBondContact O-N 3.01Å; T38-G40 PolarHBondContact O-N 2.95Å; T38-Q41 HydrophobicContact CG2-CB 3.98Å; T38-Q41 HydrophobicContact CG2-CG 4.48Å |
| 39 | Y | 51.5 | Low | 53.7 | Low | 249 Ų | 249 | 136.2 Ų | 136.2 | 98% | 0.976 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -74.6 | 11.7 | 155 | -85.5 | -80.7 | 0 | 0 | 0 | 112.6 | T37 | T37-Y39 PolarHBondContact O-N 2.87Š|
| 40 | G | 57.9 | Low | 53.7 | Low | 51 Ų | 51 | 139.2 Ų | 139.2 | 53% | 0.526 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -129.6 | 4.1 | -155.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | T38 | T38-G40 PolarHBondContact O-N 2.95Š|
| 41 | Q | 45.6 | Very low | 53.4 | Low | 153 Ų | 153 | 139 Ų | 139 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | | | trans | -133.7 | 69.5 | 176.6 | -77.1 | -68.1 | -92.3 | 0 | 0 | 112.1 | T38 | T38-Q41 HydrophobicContact CG2-CB 3.98Å; T38-Q41 HydrophobicContact CG2-CG 4.48Å |
| 42 | M | 53.3 | Low | 53.2 | Low | 189 Ų | 189 | 139.4 Ų | 139.4 | 93% | 0.931 | 74% | 0.738 | S | S | * | * | | | trans | -85.2 | 89.4 | 155.1 | -62.7 | 169.7 | 142.7 | 0 | 0 | 108.4 | | |
| 43 | S | 46.9 | Very low | 53 | Low | 78 Ų | 78 | 136.5 Ų | 136.5 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | | | trans | 169.9 | 118.3 | 155 | 59.4 | 0 | 0 | 0 | 0 | 105.4 | | |
| 44 | N | 44 | Very low | 52.8 | Low | 135 Ų | 135 | 139 Ų | 139 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | | -176.9 | 97.7 | 68.1 | 37.8 | 5.2 | 0 | 0 | 0 | 109.5 | E46 | N44-E46 VanDerWaalsContact C-N 3.34Å; N44-E46 PolarHBondContact O-N 3.09Å |
| 45 | G | 55.2 | Low | 52.6 | Low | 94 Ų | 94 | 143.1 Ų | 143.1 | 97% | 0.969 | 76% | 0.756 | S | S | * | * | | | trans | 62.6 | 13.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 46 | E | 51.7 | Low | 52.7 | Low | 152 Ų | 152 | 140.2 Ų | 140.2 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | | | trans | -124.8 | 124.1 | -177.5 | -138.4 | 150.3 | 179.5 | 0 | 0 | 111.8 | N44 H48 | N44-E46 VanDerWaalsContact C-N 3.34Å; N44-E46 PolarHBondContact O-N 3.09Å; E46-H48 VanDerWaalsContact C-N 3.28Å; E46-H48 PolarHBondContact O-N 2.89Å |
| 47 | H | 53.4 | Low | 52.4 | Low | 196 Ų | 196 | 142.3 Ų | 142.3 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | | | trans | -70.9 | 84.4 | 176.8 | -96.6 | -108.4 | 0 | 0 | 0 | 108.9 | Y49 | H47-Y49 PolarHBondContact O-N 3.27Å; H47-Y49 VanDerWaalsContact O-N 3.12Å |
| 48 | H | 51.5 | Low | 52.6 | Low | 158 Ų | 158 | 143.2 Ų | 143.2 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | | | trans | -64.3 | 115.3 | 168.6 | -66.9 | 141.1 | 0 | 0 | 0 | 108.8 | E46 I50 | E46-H48 VanDerWaalsContact C-N 3.28Å; E46-H48 PolarHBondContact O-N 2.89Å; H48-I50 PolarHBondContact O-N 2.78Å; H48-I50 VanDerWaalsContact O-N 3.08Å |
| 49 | Y | 58.3 | Low | 52.5 | Low | 233 Ų | 233 | 141.8 Ų | 141.8 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | | | trans | -46.8 | 114.8 | 174.2 | -116.9 | -98.9 | 0 | 0 | 0 | 109.1 | H47 | H47-Y49 PolarHBondContact O-N 3.27Å; H47-Y49 VanDerWaalsContact O-N 3.12Å |
| 50 | I | 59.8 | Low | 52.3 | Low | 132 Ų | 132 | 134.2 Ų | 134.2 | 68% | 0.677 | 77% | 0.768 | S | S | * | * | | | trans | -56.9 | 130.4 | 164.9 | -60.9 | -174.6 | 0 | 0 | 0 | 106 | H48 D52 | H48-I50 PolarHBondContact O-N 2.78Å; H48-I50 VanDerWaalsContact O-N 3.08Å; I50-D52 PolarHBondContact O-N 2.92Å |
| 51 | P | 52.1 | Low | 52.1 | Low | 109 Ų | 109 | 140.4 Ų | 140.4 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -67.3 | 83.4 | 164.7 | 27.9 | -31.4 | 0 | 0 | 0 | 107.8 | G53 | P51-G53 PolarHBondContact O-N 2.77Š|
| 52 | D | 56.3 | Low | 52.1 | Low | 165 Ų | 165 | 136.3 Ų | 136.3 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 82.9 | 167.5 | -155.9 | 19.7 | 0 | 0 | 0 | 106.5 | I50 | I50-D52 PolarHBondContact O-N 2.92Š|
| 53 | G | 54.3 | Low | 52.2 | Low | 54 Ų | 54 | 135.5 Ų | 135.5 | 56% | 0.557 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.2 | -2.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | P51 F55 | P51-G53 PolarHBondContact O-N 2.77Å; G53-F55 PolarHBondContact O-N 3.31Å |
| 54 | V | 54.8 | Low | 52.6 | Low | 140 Ų | 140 | 137.1 Ų | 137.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -2.8 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 55 | F | 55.3 | Low | 53.5 | Low | 196 Ų | 196 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 50.7 | -177 | -149.1 | -91.9 | 0 | 0 | 0 | 113.4 | G53 | G53-F55 PolarHBondContact O-N 3.31Š|
| 56 | S | 52.2 | Low | 53.7 | Low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -149.4 | 80 | 167.5 | -76.7 | 0 | 0 | 0 | 0 | 111.1 | P58 | S56-P58 WeakPolarHBondContact O-CD 3.45Š|
| 57 | Q | 48 | Very low | 53.9 | Low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | -95.3 | 106.8 | 161.4 | -170.7 | 176.3 | -13.8 | 0 | 0 | 108 | G59 | Q57-G59 PolarHBondContact O-N 2.99Š|
| 58 | P | 51.2 | Low | 54 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -83.9 | 106.1 | 171.7 | 31.2 | -26.5 | 0 | 0 | 0 | 108.3 | S56 | S56-P58 WeakPolarHBondContact O-CD 3.45Š|
| 59 | G | 48.4 | Very low | 54.4 | Low | 68 Ų | 68 | 128.9 Ų | 128.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -173.2 | 77.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q57 | Q57-G59 PolarHBondContact O-N 2.99Š|
| 60 | A | 48.7 | Very low | 54.2 | Low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | -73.4 | 150.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 61 | L | 53.7 | Low | 54 | Low | 181 Ų | 181 | 123.5 Ų | 123.5 | 95% | 0.948 | 74% | 0.742 | S | S | * | * | | | trans | 87.5 | 83.4 | 159.3 | -46.1 | 179.1 | 0 | 0 | 0 | 117.6 | | |
| 62 | G | 44.4 | Very low | 54.2 | Low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -164.8 | 109.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T64 | G62-T64 PolarHBondContact O-N 2.82Š|
| 63 | N | 55 | Low | 54.4 | Low | 172 Ų | 172 | 121.6 Ų | 121.6 | 92% | 0.92 | 74% | 0.735 | S | S | * | * | | | trans | -74.6 | 58.7 | -172.6 | -165.9 | 36.7 | 0 | 0 | 0 | 112.6 | | |
| 64 | T | 57.2 | Low | 54.8 | Low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | -141.6 | 115.5 | -178.5 | -36.1 | 0 | 0 | 0 | 0 | 110.1 | G62 | G62-T64 PolarHBondContact O-N 2.82Š|
| 65 | P | 61.6 | Low | 55.2 | Low | 67 Ų | 67 | 128.2 Ų | 128.2 | 44% | 0.435 | 75% | 0.745 | S | S | . | * | | | trans | -62.6 | 128.2 | 177.2 | -14 | 25.4 | 0 | 0 | 0 | 109.9 | F67 L68 | P65-F67 HydrophobicContact CB-CD2 3.71Å; P65-F67 HydrophobicContact CB-CE2 4.03Å; P65-F67 PolarHBondContact O-N 3.35Å; P65-L68 HydrophobicContact CB-CD1 4.28Å; P65-L68 HydrophobicContact CG-CD1 3.96Å |
| 66 | P | 59.4 | Low | 55.6 | Low | 96 Ų | 96 | 127.2 Ų | 127.2 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 3.3 | -178.7 | 27.6 | -33.9 | 0 | 0 | 0 | 114.1 | | |
| 67 | F | 56 | Low | 55.7 | Low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -7.1 | -176.7 | -28.7 | -75.9 | 0 | 0 | 0 | 113.8 | P65 | P65-F67 HydrophobicContact CB-CD2 3.71Å; P65-F67 HydrophobicContact CB-CE2 4.03Å; P65-F67 PolarHBondContact O-N 3.35Å |
| 68 | L | 56.5 | Low | 56.2 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -91.6 | 0.6 | -175.7 | -81.2 | 157.1 | 0 | 0 | 0 | 114 | P65 | P65-L68 HydrophobicContact CB-CD1 4.28Å; P65-L68 HydrophobicContact CG-CD1 3.96Å |
| 69 | G | 58.8 | Low | 56.7 | Low | 75 Ų | 75 | 122.3 Ų | 122.3 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -126.7 | 4.5 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 70 | Q | 53.9 | Low | 56.9 | Low | 137 Ų | 137 | 121.6 Ų | 121.6 | 64% | 0.64 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -117.1 | 103.7 | -173.7 | -109 | -179.1 | -52.5 | 0 | 0 | 111.3 | | |
| 71 | H | 56.1 | Low | 57.2 | Low | 115 Ų | 115 | 124 Ų | 124 | 53% | 0.532 | 71% | 0.713 | S | S | . | * | | | trans | 50.1 | 99 | 154.7 | 37.9 | -111.4 | 0 | 0 | 0 | 117.6 | F73 | H71-F73 HydrophobicContact CB-CE2 4.49Å; H71-F73 AromaticContact CD2-CD2 3.97Å; H71-F73 AromaticContact CD2-CE2 3.29Å; H71-F73 WeakPolarHBondContact CD2-CE2 2.88Å; H71-F73 AromaticContact NE2-CE2 3.93Å; H71-F73 WeakPolarHBondContact O-CD2 3.48Å; H71-F73 PolarHBondContact O-N 2.94Å |
| 72 | G | 55.8 | Low | 57.3 | Low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | | | trans | -61.8 | 102.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N74 | G72-N74 PolarHBondContact O-N 3.38Š|
| 73 | F | 61.8 | Low | 57.9 | Low | 160 Ų | 160 | 126 Ų | 126 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | | | trans | -72.8 | 105.8 | 169.1 | -75.8 | -84.4 | 0 | 0 | 0 | 109.4 | H71 F75 | H71-F73 HydrophobicContact CB-CE2 4.49Å; H71-F73 AromaticContact CD2-CD2 3.97Å; H71-F73 AromaticContact CD2-CE2 3.29Å; H71-F73 WeakPolarHBondContact CD2-CE2 2.88Å; H71-F73 AromaticContact NE2-CE2 3.93Å; H71-F73 WeakPolarHBondContact O-CD2 3.48Å; H71-F73 PolarHBondContact O-N 2.94Å; F73-F75 HydrophobicContact CB-CE2 4.48Å |
| 74 | N | 61.7 | Low | 58 | Low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | | | trans | -88.7 | 115.8 | 167.1 | -67.1 | -64.3 | 0 | 0 | 0 | 108.4 | G72 F76 | G72-N74 PolarHBondContact O-N 3.38Å; N74-F76 PolarHBondContact O-N 2.84Å |
| 75 | F | 64 | Low | 57.8 | Low | 187 Ų | 187 | 129.7 Ų | 129.7 | 82% | 0.82 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -77.9 | -2.2 | 178.6 | -76 | -85.4 | 0 | 0 | 0 | 114.2 | F73 | F73-F75 HydrophobicContact CB-CE2 4.48Š|
| 76 | F | 64.1 | Low | 57.1 | Low | 175 Ų | 175 | 129 Ų | 129 | 77% | 0.768 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -112.5 | 129.8 | 175.1 | -59.4 | -76.5 | 0 | 0 | 0 | 108.3 | N74 G78 | N74-F76 PolarHBondContact O-N 2.84Å; F76-G78 VanDerWaalsContact C-N 3.33Å; F76-G78 PolarHBondContact O-N 2.96Å |
| 77 | P | 53.9 | Low | 56.8 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | | | trans | -65 | 100.1 | 169.8 | 25.9 | -29.3 | 0 | 0 | 0 | 107.6 | N79 | P77-N79 PolarHBondContact O-N 3.09Š|
| 78 | G | 58.3 | Low | 56.4 | Low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 105.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | F76 | F76-G78 VanDerWaalsContact C-N 3.33Å; F76-G78 PolarHBondContact O-N 2.96Å |
| 79 | N | 60.5 | Low | 56.3 | Low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.7 | 69.5 | 168.7 | -38.6 | -2.7 | 0 | 0 | 0 | 112.6 | P77 D81 | P77-N79 PolarHBondContact O-N 3.09Å; N79-D81 PolarHBondContact O-N 3.3Å |
| 80 | A | 52.4 | Low | 55.7 | Low | 53 Ų | 53 | 126.6 Ų | 126.6 | 44% | 0.438 | 73% | 0.731 | S | S | . | * | | | trans | -71.6 | 106.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | F82 | A80-F82 HydrophobicContact CB-CE2 4.35Å; A80-F82 HydrophobicContact CB-CZ 4.42Å; A80-F82 WeakPolarHBondContact O-CD2 3.49Å; A80-F82 WeakPolarHBondContact O-CE2 3.37Å; A80-F82 PolarHBondContact O-N 3.12Å |
| 81 | D | 56.1 | Low | 55.1 | Low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | -68.4 | 108.4 | 165.7 | -71.3 | -38.5 | 0 | 0 | 0 | 108.4 | N79 S83 | N79-D81 PolarHBondContact O-N 3.3Å; D81-S83 PolarHBondContact O-N 2.75Å |
| 82 | F | 55.8 | Low | 54.6 | Low | 183 Ų | 183 | 127.4 Ų | 127.4 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 32.4 | -179.9 | -69.7 | -86.3 | 0 | 0 | 0 | 113.7 | A80 | A80-F82 HydrophobicContact CB-CE2 4.35Å; A80-F82 HydrophobicContact CB-CZ 4.42Å; A80-F82 WeakPolarHBondContact O-CD2 3.49Å; A80-F82 WeakPolarHBondContact O-CE2 3.37Å; A80-F82 PolarHBondContact O-N 3.12Å |
| 83 | S | 57.8 | Low | 53.8 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -12.3 | -178.6 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | D81 W85 | D81-S83 PolarHBondContact O-N 2.75Å; S83-W85 PolarHBondContact O-N 2.92Å |
| 84 | T | 55.8 | Low | 53 | Low | 126 Ų | 126 | 129.1 Ų | 129.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -17.1 | -172.8 | -41.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 85 | W | 53.6 | Low | 52.2 | Low | 237 Ų | 237 | 128.2 Ų | 128.2 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 17.7 | -172.2 | -72.6 | 64.4 | 0 | 0 | 0 | 114.8 | S83 | S83-W85 PolarHBondContact O-N 2.92Š|
| 86 | G | 47.1 | Very low | 51.3 | Low | 52 Ų | 52 | 128.2 Ų | 128.2 | 54% | 0.536 | 76% | 0.758 | S | S | . | * | | | trans | 80.7 | 123.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S88 | G86-S88 PolarHBondContact O-N 3.28Š|
| 87 | T | 53.2 | Low | 50.2 | Low | 151 Ų | 151 | 124.6 Ų | 124.6 | 93% | 0.926 | 75% | 0.754 | S | S | * | * | | | trans | -59.7 | 82.1 | 161.1 | -30.7 | 0 | 0 | 0 | 0 | 108.8 | G89 | T87-G89 PolarHBondContact O-N 3.27Š|
| 88 | S | 46.9 | Very low | 50.1 | Low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -71.7 | 109.4 | 163.2 | -65.8 | 0 | 0 | 0 | 0 | 106.3 | G86 S90 | G86-S88 PolarHBondContact O-N 3.28Å; S88-S90 PolarHBondContact O-N 2.94Å |
| 89 | G | 54.7 | Low | 49.5 | Very low | 82 Ų | 82 | 125.8 Ų | 125.8 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -55 | 113.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | T87 | T87-G89 PolarHBondContact O-N 3.27Š|
| 90 | S | 46.1 | Very low | 48.5 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -137.6 | 121 | 160.1 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | S88 | S88-S90 PolarHBondContact O-N 2.94Š|
| 91 | Q | 41.7 | Very low | 48.5 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -45.5 | 138.5 | 176.7 | -62.3 | 170.3 | -17.1 | 0 | 0 | 113.4 | | |
| 92 | G | 45 | Very low | 48 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | trans | 68 | 157.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 93 | Q | 39.9 | Very low | 48 | Very low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | cis | -175.5 | 131.5 | 16.2 | 159.8 | 169.8 | -19.1 | 0 | 0 | 104.5 | | |
| 94 | S | 45 | Very low | 47.6 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | | | trans | 36.4 | 128.8 | 154.2 | 66.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 95 | T | 43.4 | Very low | 47.3 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | | -171.7 | 127.7 | 67.6 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 96 | Q | 46.6 | Very low | 47.3 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | | | trans | -71 | 147.9 | 165.2 | -87.2 | -177.6 | -54.5 | 0 | 0 | 111.4 | | |
| 97 | S | 40 | Very low | 47.7 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 79.7 | 98.4 | 146.3 | -168.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 98 | S | 52 | Low | 47.8 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | | | trans | -86.2 | 100.3 | 145.4 | -71.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 99 | A | 44.8 | Very low | 47.8 | Very low | 66 Ų | 66 | 129 Ų | 129 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | | | trans | 170.8 | 111 | 150.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 100 | Y | 40.9 | Very low | 47.8 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | | 167.7 | 99.5 | 128.4 | -94.8 | -76.4 | 0 | 0 | 0 | 106.1 | S102 | Y100-S102 PolarHBondContact O-N 3.08Š|
| 101 | S | 53 | Low | 48.4 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -48.2 | 112.6 | 155.2 | -158.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 102 | S | 45.3 | Very low | 48.7 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 52% | 0.517 | 80% | 0.796 | S | S | . | * | | | trans | -149.8 | 86.2 | 170.6 | -81.1 | 0 | 0 | 0 | 0 | 107 | Y100 Y104 | Y100-S102 PolarHBondContact O-N 3.08Å; S102-Y104 VanDerWaalsContact C-N 3.29Å; S102-Y104 PolarHBondContact O-N 2.89Å |
| 103 | S | 54.6 | Low | 48.9 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -38.9 | 94.7 | 151.2 | 147.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 104 | Y | 49.2 | Very low | 49.4 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | trans | -116.3 | 98 | 156.4 | -73.3 | -73.5 | 0 | 0 | 0 | 106.7 | S102 | S102-Y104 VanDerWaalsContact C-N 3.29Å; S102-Y104 PolarHBondContact O-N 2.89Å |
| 105 | G | 51 | Low | 49.7 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | -67.7 | 143.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 106 | Y | 53.3 | Low | 50.1 | Low | 219 Ų | 219 | 138.8 Ų | 138.8 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -127.2 | 126.8 | 155.1 | -69.2 | -83.3 | 0 | 0 | 0 | 107.4 | | |
| 107 | P | 55.8 | Low | 50.3 | Low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -80.5 | 170.7 | 170.8 | 34.6 | -32.2 | 0 | 0 | 0 | 111.2 | | |
| 108 | P | 53.8 | Low | 51 | Low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | -91.8 | 168.6 | -135.8 | 38 | -38.9 | 0 | 0 | 0 | 114.9 | | |
| 109 | S | 48.3 | Very low | 51 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -116.6 | 108.8 | 165.9 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 110 | S | 55.1 | Low | 51.5 | Low | 116 Ų | 116 | 144.7 Ų | 144.7 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -76.3 | 139.7 | 172.6 | -48 | 0 | 0 | 0 | 0 | 110.9 | | |
| 111 | L | 57.5 | Low | 52.4 | Low | 251 Ų | 251 | 138.5 Ų | 138.5 | 100% | 1.314 | 82% | 0.824 | S | S | * | * | | | trans | -97.1 | 0 | 162.2 | -80.8 | 163.7 | 0 | 0 | 0 | 109.7 | | |