| 1 | M | 69.3 | Low | 69.8 | Low | 243 Ų | 243 | 149.2 Ų | 149.2 | 100% | 1.197 | 83% | 0.834 | S | S | * | * | | | | 0 | 110 | 0 | -162 | 178.5 | -127.9 | 0 | 0 | 105.6 | | |
| 2 | I | 76.3 | Confident | 68.8 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -107.8 | 123.5 | -175.8 | -58.7 | 172.6 | 0 | 0 | 0 | 106.6 | | |
| 3 | Q | 74.1 | Confident | 67.8 | Low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 134 | 176.4 | -70.4 | 179.1 | -32.7 | 0 | 0 | 109 | | |
| 4 | F | 77.4 | Confident | 67.2 | Low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86 | 124 | 174 | -67.9 | -91.6 | 0 | 0 | 0 | 108.6 | | |
| 5 | V | 79 | Confident | 66.3 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 116.6 | 166.8 | 176.9 | 0 | 0 | 0 | 0 | 106.5 | S7 | V5-S7 PolarHBondContact O-N 3.26Š|
| 6 | E | 70 | Confident | 65.5 | Low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -71.5 | 109.1 | 176 | -158.1 | 176.3 | 160.4 | 0 | 0 | 108 | G8 | E6-G8 PolarHBondContact O-N 3.13Å; E6-G8 VanDerWaalsContact O-N 3.13Å |
| 7 | S | 71 | Confident | 64.8 | Low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -71.6 | 103.6 | 168.3 | 56.8 | 0 | 0 | 0 | 0 | 106.9 | V5 A9 | V5-S7 PolarHBondContact O-N 3.26Å; S7-A9 PolarHBondContact O-N 3.14Å; S7-A9 VanDerWaalsContact O-N 3.14Å |
| 8 | G | 64.7 | Low | 64.2 | Low | 67 Ų | 67 | 131.2 Ų | 131.2 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | | | trans | -51.7 | 122.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E6 D10 | E6-G8 PolarHBondContact O-N 3.13Å; E6-G8 VanDerWaalsContact O-N 3.13Å; G8-D10 PolarHBondContact O-N 3Å |
| 9 | A | 64.1 | Low | 63.5 | Low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -63 | 106.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | S7 T11 | S7-A9 PolarHBondContact O-N 3.14Å; S7-A9 VanDerWaalsContact O-N 3.14Å; A9-T11 VanDerWaalsContact C-N 3.3Å; A9-T11 PolarHBondContact O-N 3.35Å |
| 10 | D | 61.1 | Low | 63.2 | Low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -61.9 | 100.5 | 164.9 | -173.4 | 2.1 | 0 | 0 | 0 | 106.2 | G8 G12 | G8-D10 PolarHBondContact O-N 3Å; D10-G12 PolarHBondContact O-N 2.82Å; D10-G12 PolarHBondContact OD1-N 2.93Å |
| 11 | T | 60.6 | Low | 62.9 | Low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -72.7 | 71 | 166.4 | 56.9 | 0 | 0 | 0 | 0 | 106.1 | A9 N13 | A9-T11 VanDerWaalsContact C-N 3.3Å; A9-T11 PolarHBondContact O-N 3.35Å; T11-N13 VanDerWaalsContact C-N 3.35Å; T11-N13 PolarHBondContact O-N 2.84Å |
| 12 | G | 57.7 | Low | 62.5 | Low | 52 Ų | 52 | 121.8 Ų | 121.8 | 54% | 0.536 | 76% | 0.763 | S | S | . | * | | | trans | -50.9 | 106.6 | 172 | 0 | 0 | 0 | 0 | 0 | 106.1 | D10 P14 | D10-G12 PolarHBondContact O-N 2.82Å; D10-G12 PolarHBondContact OD1-N 2.93Å; G12-P14 WeakPolarHBondContact O-CD 3.08Å; G12-P14 VanDerWaalsContact O-N 3.13Å |
| 13 | N | 56.4 | Low | 61.8 | Low | 144 Ų | 144 | 121.6 Ų | 121.6 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | trans | -65.7 | 106.3 | 171.7 | 172.4 | 56.3 | 0 | 0 | 0 | 104.6 | T11 G15 | T11-N13 VanDerWaalsContact C-N 3.35Å; T11-N13 PolarHBondContact O-N 2.84Å; N13-G15 PolarHBondContact O-N 2.77Å |
| 14 | P | 59.6 | Low | 61.4 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | trans | -68.5 | 96.8 | 172.7 | 30.3 | -28 | 0 | 0 | 0 | 103.8 | G12 T16 | G12-P14 WeakPolarHBondContact O-CD 3.08Å; G12-P14 VanDerWaalsContact O-N 3.13Å; P14-T16 PolarHBondContact O-N 3.41Å |
| 15 | G | 53.2 | Low | 60.6 | Low | 48 Ų | 48 | 117.7 Ų | 117.7 | 50% | 0.495 | 76% | 0.758 | S | S | . | * | | | trans | -47.8 | 146.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N13 G17 | N13-G15 PolarHBondContact O-N 2.77Å; G15-G17 PolarHBondContact O-N 2.99Å |
| 16 | T | 54.1 | Low | 59.8 | Low | 146 Ų | 146 | 116.4 Ų | 116.4 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -67.3 | 31.2 | 172.4 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | P14 N18 | P14-T16 PolarHBondContact O-N 3.41Å; T16-N18 PolarHBondContact O-N 3.35Å; T16-N18 VanDerWaalsContact O-N 3.15Å |
| 17 | G | 53.2 | Low | 59.5 | Low | 59 Ų | 59 | 113.6 Ų | 113.6 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | trans | -63.5 | 111.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106 | G15 G19 | G15-G17 PolarHBondContact O-N 2.99Å; G17-G19 PolarHBondContact O-N 3.11Å |
| 18 | N | 53.5 | Low | 59.1 | Low | 157 Ų | 157 | 116.2 Ų | 116.2 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -42.4 | 125.8 | 162 | -55.2 | -30 | 0 | 0 | 0 | 106.9 | T16 D20 | T16-N18 PolarHBondContact O-N 3.35Å; T16-N18 VanDerWaalsContact O-N 3.15Å; N18-D20 PolarHBondContact O-N 3.45Å; N18-D20 VanDerWaalsContact O-N 3.11Å |
| 19 | G | 51.9 | Low | 59.1 | Low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | | | trans | -31.7 | 110.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G17 | G17-G19 PolarHBondContact O-N 3.11Š|
| 20 | D | 57.5 | Low | 59.1 | Low | 144 Ų | 144 | 122.2 Ų | 122.2 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | trans | -76.9 | 116 | 173 | -161.2 | 39.4 | 0 | 0 | 0 | 107.1 | N18 G22 | N18-D20 PolarHBondContact O-N 3.45Å; N18-D20 VanDerWaalsContact O-N 3.11Å; D20-G22 PolarHBondContact O-N 3.45Å |
| 21 | D | 56.9 | Low | 59.3 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | trans | 32.3 | 79.7 | 148.3 | -52.9 | -17.5 | 0 | 0 | 0 | 115.1 | D23 | D21-D23 VanDerWaalsContact C-N 3.29Å; D21-D23 PolarHBondContact O-N 3.15Å |
| 22 | G | 59.4 | Low | 59.4 | Low | 84 Ų | 84 | 123.8 Ų | 123.8 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | | | trans | -63.9 | 100.8 | 155 | 0 | 0 | 0 | 0 | 0 | 107.6 | D20 | D20-G22 PolarHBondContact O-N 3.45Š|
| 23 | D | 63.3 | Low | 59.6 | Low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -35.8 | 127.7 | 173.6 | -68.2 | -53.2 | 0 | 0 | 0 | 113.3 | D21 D25 | D21-D23 VanDerWaalsContact C-N 3.29Å; D21-D23 PolarHBondContact O-N 3.15Å; D23-D25 PolarHBondContact O-N 2.72Å |
| 24 | D | 65.1 | Low | 59.9 | Low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | | | trans | 5.6 | 101.6 | 137.9 | -59.3 | -16.4 | 0 | 0 | 0 | 116.1 | | |
| 25 | D | 61.3 | Low | 60.2 | Low | 174 Ų | 174 | 129.9 Ų | 129.9 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | | | trans | -125.1 | 80.6 | 131.1 | -92.5 | -32.3 | 0 | 0 | 0 | 105.5 | D23 | D23-D25 PolarHBondContact O-N 2.72Š|
| 26 | D | 61.2 | Low | 60.7 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | trans | -53.1 | 152.5 | 161.6 | -79.2 | -35.9 | 0 | 0 | 0 | 111.5 | | |
| 27 | D | 63.4 | Low | 61.2 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | 64.9 | 76.6 | 143.8 | -59 | -14 | 0 | 0 | 0 | 118.5 | | |
| 28 | D | 62.6 | Low | 61.6 | Low | 165 Ų | 165 | 137.9 Ų | 137.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | | -125 | 63.7 | 128.6 | -113.2 | -6.3 | 0 | 0 | 0 | 107.2 | D30 | D28-D30 PolarHBondContact O-N 3.2Š|
| 29 | D | 64.9 | Low | 62 | Low | 145 Ų | 145 | 135.3 Ų | 135.3 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 102.8 | 141 | -99.2 | -11.2 | 0 | 0 | 0 | 105.3 | | |
| 30 | D | 65.1 | Low | 62.4 | Low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -155.1 | 123.3 | 151.4 | -104.3 | -15.9 | 0 | 0 | 0 | 109.7 | D28 | D28-D30 PolarHBondContact O-N 3.2Š|
| 31 | D | 63.5 | Low | 62.7 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | | | trans | 79.3 | 69.1 | 167.4 | -58.2 | -21.9 | 0 | 0 | 0 | 117.8 | | |
| 32 | D | 63.3 | Low | 63 | Low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | | -39.4 | 136.4 | 129.5 | -103.3 | -19.9 | 0 | 0 | 0 | 111.3 | | |
| 33 | D | 63.3 | Low | 63.2 | Low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | trans | 33.4 | 84.6 | 147.7 | -75 | -18.2 | 0 | 0 | 0 | 117.6 | D35 | D33-D35 PolarHBondContact O-N 3.07Å; D33-D35 VanDerWaalsContact O-N 3.07Å |
| 34 | D | 62.5 | Low | 63.2 | Low | 178 Ų | 178 | 140.7 Ų | 140.7 | 95% | 0.952 | 75% | 0.752 | S | S | * | * | | | trans | -78.4 | 78.8 | 138.8 | -99 | -12.1 | 0 | 0 | 0 | 107.2 | D36 | D34-D36 PolarHBondContact O-N 3.41Š|
| 35 | D | 65.2 | Low | 63.1 | Low | 124 Ų | 124 | 141.9 Ų | 141.9 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | trans | -38.1 | 112.2 | 148.1 | -162.1 | 19.8 | 0 | 0 | 0 | 109.6 | D33 | D33-D35 PolarHBondContact O-N 3.07Å; D33-D35 VanDerWaalsContact O-N 3.07Å |
| 36 | D | 64 | Low | 63.2 | Low | 130 Ų | 130 | 140.1 Ų | 140.1 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | trans | -159.2 | 100 | 141.9 | -98.7 | -25.5 | 0 | 0 | 0 | 107.3 | D34 D38 | D34-D36 PolarHBondContact O-N 3.41Å; D36-D38 HydrophobicContact CB-CB 4.21Å; D36-D38 PolarHBondContact O-N 3.06Å |
| 37 | D | 64.9 | Low | 63.1 | Low | 166 Ų | 166 | 141 Ų | 141 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | | | trans | -47.6 | 62.2 | 142.4 | -108.7 | -14 | 0 | 0 | 0 | 109.1 | D39 | D37-D39 PolarHBondContact O-N 2.76Š|
| 38 | D | 62.1 | Low | 63.1 | Low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | -84.4 | 93.8 | 177.5 | -122.7 | 12.1 | 0 | 0 | 0 | 107.5 | D36 | D36-D38 HydrophobicContact CB-CB 4.21Å; D36-D38 PolarHBondContact O-N 3.06Å |
| 39 | D | 61 | Low | 63.1 | Low | 103 Ų | 103 | 140.6 Ų | 140.6 | 55% | 0.551 | 75% | 0.752 | S | S | * | * | | | trans | 72.7 | 98.4 | 156.3 | -70.6 | -34 | 0 | 0 | 0 | 115.7 | D37 D41 | D37-D39 PolarHBondContact O-N 2.76Å; D39-D41 HydrophobicContact CB-CB 3.67Å; D39-D41 VanDerWaalsContact CB-CG 3.43Å; D39-D41 PolarHBondContact O-N 2.74Å |
| 40 | D | 61.1 | Low | 63.2 | Low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | | -44.9 | 55.1 | 122.6 | -91.9 | -31.4 | 0 | 0 | 0 | 110.7 | D42 | D40-D42 PolarHBondContact O-N 3.19Š|
| 41 | D | 63.8 | Low | 63.1 | Low | 123 Ų | 123 | 140.6 Ų | 140.6 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 114.1 | 174.3 | -112 | -9 | 0 | 0 | 0 | 104.9 | D39 | D39-D41 HydrophobicContact CB-CB 3.67Å; D39-D41 VanDerWaalsContact CB-CG 3.43Å; D39-D41 PolarHBondContact O-N 2.74Å |
| 42 | D | 62.2 | Low | 63.2 | Low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.7 | 52.1 | 178.3 | -66.3 | -23.5 | 0 | 0 | 0 | 116.9 | D40 | D40-D42 PolarHBondContact O-N 3.19Š|
| 43 | D | 63.1 | Low | 63.2 | Low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | | | trans | -84.7 | 22.6 | 148.4 | -138 | 21.8 | 0 | 0 | 0 | 112.1 | | |
| 44 | D | 63.5 | Low | 63.4 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | trans | -123.9 | 39.3 | 177.9 | -100.6 | -5.6 | 0 | 0 | 0 | 111.6 | D46 | D44-D46 PolarHBondContact O-N 2.97Š|
| 45 | D | 62.4 | Low | 63.5 | Low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -73.3 | 34.5 | 151.7 | -123 | 13.7 | 0 | 0 | 0 | 109.8 | D47 | D45-D47 PolarHBondContact O-N 3Š|
| 46 | D | 63.6 | Low | 63.5 | Low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -74.3 | 44.4 | 158.1 | -141 | 22.4 | 0 | 0 | 0 | 107.5 | D44 D48 | D44-D46 PolarHBondContact O-N 2.97Å; D46-D48 PolarHBondContact O-N 2.83Å |
| 47 | D | 60 | Low | 63.5 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 72% | 0.723 | S | S | * | * | | | trans | -68.3 | 71.7 | 172.2 | -140.3 | 18.8 | 0 | 0 | 0 | 106 | D45 D49 | D45-D47 PolarHBondContact O-N 3Å; D47-D49 PolarHBondContact O-N 2.73Å |
| 48 | D | 63.8 | Low | 63.5 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | | | | 49.7 | 24.7 | 102.6 | -132.5 | 21.2 | 0 | 0 | 0 | 116 | D46 D50 | D46-D48 PolarHBondContact O-N 2.83Å; D48-D50 PolarHBondContact O-N 3.19Å |
| 49 | D | 62.5 | Low | 63.7 | Low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | | | trans | -87.5 | 67.8 | 152.5 | -85.6 | -17.8 | 0 | 0 | 0 | 107.7 | D47 D51 | D47-D49 PolarHBondContact O-N 2.73Å; D49-D51 PolarHBondContact O-N 2.78Å |
| 50 | D | 66.4 | Low | 63.9 | Low | 125 Ų | 125 | 135.9 Ų | 135.9 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | trans | -32 | 93.4 | 130.5 | -114.4 | -13 | 0 | 0 | 0 | 107 | D48 D52 | D48-D50 PolarHBondContact O-N 3.19Å; D50-D52 HydrophobicContact CB-CB 4.14Å; D50-D52 PolarHBondContact O-N 2.85Å |
| 51 | D | 63.9 | Low | 64 | Low | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | | | trans | -73 | 61.7 | 161.6 | -140.8 | 9.8 | 0 | 0 | 0 | 105.7 | D49 D53 | D49-D51 PolarHBondContact O-N 2.78Å; D51-D53 PolarHBondContact O-N 3.1Å; D51-D53 VanDerWaalsContact O-N 3.1Å |
| 52 | D | 64.5 | Low | 64 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | | | trans | -80.1 | 59.4 | 170.8 | -160.1 | 31.1 | 0 | 0 | 0 | 106.3 | D50 D54 | D50-D52 HydrophobicContact CB-CB 4.14Å; D50-D52 PolarHBondContact O-N 2.85Å; D52-D54 VanDerWaalsContact C-N 3.29Å |
| 53 | D | 64.3 | Low | 64.1 | Low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | | | trans | -100.4 | 74.3 | 159.5 | -127.5 | 0 | 0 | 0 | 0 | 107.9 | D51 D55 | D51-D53 PolarHBondContact O-N 3.1Å; D51-D53 VanDerWaalsContact O-N 3.1Å; D53-D55 PolarHBondContact O-N 3.29Å |
| 54 | D | 66.1 | Low | 64.3 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 66% | 0.658 | 73% | 0.73 | S | S | * | * | | | trans | -47.3 | 63 | 148.9 | -166.3 | 28.4 | 0 | 0 | 0 | 111.1 | D52 D56 | D52-D54 VanDerWaalsContact C-N 3.29Å; D54-D56 PolarHBondContact O-N 2.93Å |
| 55 | D | 65.3 | Low | 64.4 | Low | 125 Ų | 125 | 137.2 Ų | 137.2 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | trans | -93.4 | 69.5 | 162.7 | -98.5 | -9.5 | 0 | 0 | 0 | 108.6 | D53 D57 | D53-D55 PolarHBondContact O-N 3.29Å; D55-D57 PolarHBondContact O-N 2.87Å |
| 56 | D | 64.6 | Low | 64.5 | Low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | -62.8 | 61.9 | 151.2 | -159 | 25.7 | 0 | 0 | 0 | 108.8 | D54 D58 | D54-D56 PolarHBondContact O-N 2.93Å; D56-D58 PolarHBondContact O-N 2.94Å; D56-D58 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 64.4 | Low | 64.8 | Low | 126 Ų | 126 | 139.5 Ų | 139.5 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | | | trans | -87.8 | 64.7 | 168.6 | -129.7 | 11.6 | 0 | 0 | 0 | 108.1 | D55 D59 | D55-D57 PolarHBondContact O-N 2.87Å; D57-D59 PolarHBondContact O-N 2.98Å |
| 58 | D | 64.9 | Low | 64.9 | Low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -67.5 | 58.7 | 151 | -162 | 26.2 | 0 | 0 | 0 | 107.5 | D56 D60 | D56-D58 PolarHBondContact O-N 2.94Å; D56-D58 VanDerWaalsContact O-N 3.09Å; D58-D60 PolarHBondContact O-N 3.09Å |
| 59 | D | 66.5 | Low | 64.9 | Low | 136 Ų | 136 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -80.5 | 80.5 | 170.5 | -146.9 | 15.8 | 0 | 0 | 0 | 107.1 | D57 | D57-D59 PolarHBondContact O-N 2.98Š|
| 60 | D | 64.4 | Low | 65 | Low | 129 Ų | 129 | 144.6 Ų | 144.6 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | | | trans | 32.4 | 120.8 | 134 | -113.6 | -18.5 | 0 | 0 | 0 | 116.3 | D58 D62 | D58-D60 PolarHBondContact O-N 3.09Å; D60-D62 PolarHBondContact O-N 3.27Å |
| 61 | D | 63 | Low | 65 | Low | 143 Ų | 143 | 145.7 Ų | 145.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -20.4 | 98.3 | 154.4 | -77 | -41.7 | 0 | 0 | 0 | 114.6 | D63 | D61-D63 PolarHBondContact O-N 3Š|
| 62 | D | 64.5 | Low | 65 | Low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -89.2 | 78.5 | 151.1 | -115.5 | -8.5 | 0 | 0 | 0 | 108.4 | D60 D64 | D60-D62 PolarHBondContact O-N 3.27Å; D62-D64 PolarHBondContact O-N 2.98Å |
| 63 | D | 64.9 | Low | 65.1 | Low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -68.4 | 66.1 | 164.7 | -142.6 | 11.2 | 0 | 0 | 0 | 108.3 | D61 D65 | D61-D63 PolarHBondContact O-N 3Å; D63-D65 PolarHBondContact O-N 3.4Å |
| 64 | D | 67.2 | Low | 65.1 | Low | 143 Ų | 143 | 147.3 Ų | 147.3 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -93.6 | 90.9 | 173.1 | -109.5 | -5.1 | 0 | 0 | 0 | 110 | D62 D66 | D62-D64 PolarHBondContact O-N 2.98Å; D64-D66 PolarHBondContact O-N 3.39Å |
| 65 | D | 64.4 | Low | 65 | Low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -33.3 | 120.6 | 147.3 | -92.1 | -38.1 | 0 | 0 | 0 | 111.1 | D63 | D63-D65 PolarHBondContact O-N 3.4Š|
| 66 | D | 66.5 | Low | 65 | Low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | 167.6 | 100.6 | 135.9 | -91 | -25.3 | 0 | 0 | 0 | 110 | D64 | D64-D66 PolarHBondContact O-N 3.39Š|
| 67 | D | 69.5 | Low | 65.1 | Low | 176 Ų | 176 | 152.5 Ų | 152.5 | 94% | 0.941 | 82% | 0.816 | S | S | * | * | | | trans | -132.5 | 107.4 | 147.2 | -114.9 | -19 | 0 | 0 | 0 | 108.4 | | |
| 68 | D | 60.7 | Low | 65.1 | Low | 235 Ų | 235 | 154.9 Ų | 154.9 | 100% | 1.257 | 83% | 0.828 | S | S | * | * | | | trans | -51.2 | 0 | -176.8 | -153 | 2.6 | 0 | 0 | 0 | 114.8 | | |