| 1 | M | 53.8 | Low | 57.3 | Low | 248 Ų | 248 | 145.5 Ų | 145.5 | 100% | 1.222 | 86% | 0.857 | S | S | * | * | | | | 0 | 133 | 0 | -69.6 | 90.9 | 104.7 | 0 | 0 | 107.2 | | |
| 2 | G | 56.9 | Low | 56.1 | Low | 77 Ų | 77 | 145.3 Ų | 145.3 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | | | cis | -175.5 | 146.9 | 3.2 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 3 | S | 54.1 | Low | 55.5 | Low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | | | trans | -60.1 | 153.1 | -177 | -38.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 4 | Q | 60.1 | Low | 54.5 | Low | 199 Ų | 199 | 142.9 Ų | 142.9 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | | | trans | -141.5 | 112.9 | 134.8 | -77.3 | -160.7 | -84.9 | 0 | 0 | 110.4 | | |
| 5 | S | 55.8 | Low | 54.2 | Low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 119.1 | 171.7 | 37.1 | 0 | 0 | 0 | 0 | 109.8 | K7 | S5-K7 PolarHBondContact O-N 2.8Š|
| 6 | S | 64.4 | Low | 53.4 | Low | 131 Ų | 131 | 141.9 Ų | 141.9 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 121.9 | 168.7 | -71 | 0 | 0 | 0 | 0 | 109.6 | | |
| 7 | K | 63.8 | Low | 53.3 | Low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121.1 | -175.9 | -170.5 | 148.1 | -178.2 | 164.2 | 0 | 109.2 | S5 | S5-K7 PolarHBondContact O-N 2.8Š|
| 8 | A | 62.9 | Low | 52.8 | Low | 81 Ų | 81 | 140.6 Ų | 140.6 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 143.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R10 | A8-R10 PolarHBondContact O-N 3.01Š|
| 9 | P | 57.5 | Low | 52.8 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.1 | 173.8 | 29.1 | -31.8 | 0 | 0 | 0 | 109.1 | G11 | P9-G11 PolarHBondContact O-N 3.44Š|
| 10 | R | 52 | Low | 52.3 | Low | 245 Ų | 245 | 134.6 Ų | 134.6 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | | | trans | -77 | 111.5 | 164.2 | -69.6 | -161.2 | 177.2 | 151.2 | -1 | 107.2 | A8 D12 | A8-R10 PolarHBondContact O-N 3.01Å; R10-D12 PolarHBondContact O-N 3.32Å |
| 11 | G | 49 | Very low | 52.5 | Low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | -65.4 | 115.1 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | P9 V13 | P9-G11 PolarHBondContact O-N 3.44Å; G11-V13 PolarHBondContact O-N 2.9Å |
| 12 | D | 42.4 | Very low | 52 | Low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -62 | 114.1 | 171.7 | -129.1 | -99.1 | 0 | 0 | 0 | 108.4 | R10 T14 | R10-D12 PolarHBondContact O-N 3.32Å; D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 3.29Å |
| 13 | V | 49 | Very low | 52 | Low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -83.1 | 87.7 | 168.5 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | G11 | G11-V13 PolarHBondContact O-N 2.9Š|
| 14 | T | 40.5 | Very low | 52.2 | Low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -83.7 | 111.6 | 167.8 | -17.9 | 0 | 0 | 0 | 0 | 107.7 | D12 E16 | D12-T14 VanDerWaalsContact C-N 3.34Å; D12-T14 PolarHBondContact O-N 3.29Å; T14-E16 PolarHBondContact O-N 3.17Å; T14-E16 VanDerWaalsContact O-N 3.16Å |
| 15 | A | 50.5 | Low | 52.1 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 106.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 16 | E | 42.3 | Very low | 52.4 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -119 | 114.2 | 159.7 | -166.7 | -166.2 | 126.4 | 0 | 0 | 107.9 | T14 A18 | T14-E16 PolarHBondContact O-N 3.17Å; T14-E16 VanDerWaalsContact O-N 3.16Å; E16-A18 VanDerWaalsContact C-N 3.3Å; E16-A18 PolarHBondContact O-N 3.23Å |
| 17 | E | 51.1 | Low | 52.1 | Low | 183 Ų | 183 | 127.1 Ų | 127.1 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -51.2 | 93.7 | 157.9 | 176.9 | -146.5 | 132.1 | 0 | 0 | 109.2 | | |
| 18 | A | 43.7 | Very low | 51.9 | Low | 78 Ų | 78 | 119.7 Ų | 119.7 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | -104.8 | 110.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | E16 G20 | E16-A18 VanDerWaalsContact C-N 3.3Å; E16-A18 PolarHBondContact O-N 3.23Å; A18-G20 PolarHBondContact O-N 3.35Å |
| 19 | A | 53.7 | Low | 51.9 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -58 | 71.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A21 | A19-A21 PolarHBondContact O-N 3.04Š|
| 20 | G | 43.1 | Very low | 52.3 | Low | 57 Ų | 57 | 127.2 Ų | 127.2 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | | | trans | -91.6 | 89.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | A18 S22 | A18-G20 PolarHBondContact O-N 3.35Å; G20-S22 PolarHBondContact O-N 2.8Å |
| 21 | A | 55.1 | Low | 52.8 | Low | 99 Ų | 99 | 123 Ų | 123 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -56.6 | 89.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | A19 P23 | A19-A21 PolarHBondContact O-N 3.04Å; A21-P23 WeakPolarHBondContact O-CD 3.31Å |
| 22 | S | 44.8 | Very low | 53.5 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -58.5 | 121.7 | 170.6 | -70.4 | 0 | 0 | 0 | 0 | 105.6 | G20 A24 | G20-S22 PolarHBondContact O-N 2.8Å; S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 2.89Å |
| 23 | P | 56.8 | Low | 54.6 | Low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -59.3 | 110.6 | 166.2 | 25.1 | -30.4 | 0 | 0 | 0 | 105.1 | A21 K25 | A21-P23 WeakPolarHBondContact O-CD 3.31Å; P23-K25 PolarHBondContact O-N 2.99Å; P23-K25 VanDerWaalsContact O-N 3.09Å |
| 24 | A | 57.8 | Low | 55.6 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -46.4 | 124.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | S22 A26 | S22-A24 VanDerWaalsContact C-N 3.34Å; S22-A24 PolarHBondContact O-N 2.89Å; A24-A26 VanDerWaalsContact C-N 3.27Å; A24-A26 PolarHBondContact O-N 2.83Å |
| 25 | K | 58.4 | Low | 57 | Low | 205 Ų | 205 | 127.4 Ų | 127.4 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | | | trans | -53.7 | 94 | 179.5 | -67.2 | -179.1 | -178.3 | 177.1 | 0 | 108.3 | P23 N27 | P23-K25 PolarHBondContact O-N 2.99Å; P23-K25 VanDerWaalsContact O-N 3.09Å; K25-N27 PolarHBondContact O-N 2.9Å |
| 26 | A | 60.9 | Low | 57.7 | Low | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | | | trans | -77 | 66.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | A24 G28 | A24-A26 VanDerWaalsContact C-N 3.27Å; A24-A26 PolarHBondContact O-N 2.83Å; A26-G28 PolarHBondContact O-N 2.77Å; A26-G28 VanDerWaalsContact O-N 3.12Å |
| 27 | N | 58.2 | Low | 58.6 | Low | 164 Ų | 164 | 126.5 Ų | 126.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 99 | 169.2 | -172 | -3.3 | 0 | 0 | 0 | 107.3 | K25 | K25-N27 PolarHBondContact O-N 2.9Š|
| 28 | G | 59.3 | Low | 59.2 | Low | 47 Ų | 47 | 121 Ų | 121 | 49% | 0.485 | 75% | 0.752 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 112.2 | 24.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118 | A26 E30 | A26-G28 PolarHBondContact O-N 2.77Å; A26-G28 VanDerWaalsContact O-N 3.12Å; G28-E30 VanDerWaalsContact C-N 3.27Å; G28-E30 PolarHBondContact O-N 2.93Å |
| 29 | Q | 63.3 | Low | 59.9 | Low | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 9.3 | 176.3 | -96 | -169 | -18.2 | 0 | 0 | 115.9 | | |
| 30 | E | 66.9 | Low | 60.1 | Low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 22.4 | -177.5 | 73 | 175.1 | 138.4 | 0 | 0 | 115.6 | G28 G32 | G28-E30 VanDerWaalsContact C-N 3.27Å; G28-E30 PolarHBondContact O-N 2.93Å; E30-G32 PolarHBondContact O-N 3.15Å |
| 31 | N | 61 | Low | 60.7 | Low | 157 Ų | 157 | 128.1 Ų | 128.1 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -74.6 | 80.2 | 159.6 | -77 | -72.8 | 0 | 0 | 0 | 109.4 | | |
| 32 | G | 64.6 | Low | 60.6 | Low | 57 Ų | 57 | 129.4 Ų | 129.4 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | trans | 43.5 | 114.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E30 V34 | E30-G32 PolarHBondContact O-N 3.15Å; G32-V34 PolarHBondContact O-N 2.94Å |
| 33 | H | 65.3 | Low | 61 | Low | 193 Ų | 193 | 134.2 Ų | 134.2 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | | | trans | -14.3 | 102.7 | 157.4 | -95 | -41.9 | 0 | 0 | 0 | 112.2 | K35 | H33-K35 PolarHBondContact O-N 3.17Š|
| 34 | V | 70.6 | Confident | 60.7 | Low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | -53.9 | 115.6 | 165.7 | 178.2 | 0 | 0 | 0 | 0 | 104.6 | G32 S36 | G32-V34 PolarHBondContact O-N 2.94Å; V34-S36 PolarHBondContact O-N 2.85Å |
| 35 | K | 68.8 | Low | 60.3 | Low | 183 Ų | 183 | 137.6 Ų | 137.6 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | -59 | 96.3 | 171.2 | -74.6 | 161.6 | 174.7 | 170.9 | 0 | 106.1 | H33 N37 | H33-K35 PolarHBondContact O-N 3.17Å; K35-N37 PolarHBondContact O-N 3.09Å |
| 36 | S | 66.4 | Low | 59.7 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | | | trans | -63.7 | 87.5 | 166.4 | 40.8 | 0 | 0 | 0 | 0 | 106.4 | V34 G38 | V34-S36 PolarHBondContact O-N 2.85Å; S36-G38 PolarHBondContact O-N 3.1Å |
| 37 | N | 60.3 | Low | 59.1 | Low | 155 Ų | 155 | 136.3 Ų | 136.3 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | | | trans | -69.6 | 89.3 | 167.3 | -79.3 | -32.7 | 0 | 0 | 0 | 107.2 | K35 | K35-N37 PolarHBondContact O-N 3.09Š|
| 38 | G | 64 | Low | 58.2 | Low | 66 Ų | 66 | 133.4 Ų | 133.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 73.3 | 107.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S36 | S36-G38 PolarHBondContact O-N 3.1Š|
| 39 | D | 58.7 | Low | 57.6 | Low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 62.2 | 83.7 | 160.4 | -162.5 | 24.3 | 0 | 0 | 0 | 117.1 | | |
| 40 | L | 56.9 | Low | 56.9 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -132.5 | 94.2 | 146 | -67.5 | 176.9 | 0 | 0 | 0 | 106.9 | | |
| 41 | S | 56.3 | Low | 56.3 | Low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -51.3 | 124.4 | 160 | -67 | 0 | 0 | 0 | 0 | 108.4 | K43 | S41-K43 PolarHBondContact O-N 2.77Š|
| 42 | P | 53.8 | Low | 55.6 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -65.8 | 105 | 176 | 26.3 | -31.3 | 0 | 0 | 0 | 107.8 | G44 | P42-G44 PolarHBondContact O-N 2.97Å; P42-G44 VanDerWaalsContact O-N 3.15Å |
| 43 | K | 53.3 | Low | 54.7 | Low | 205 Ų | 205 | 132.4 Ų | 132.4 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -66.8 | 112.8 | 162.1 | -75.8 | -169 | 177.1 | 178.9 | 0 | 106.1 | S41 | S41-K43 PolarHBondContact O-N 2.77Š|
| 44 | G | 49.7 | Very low | 54.1 | Low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -56.8 | 134.6 | -167 | 0 | 0 | 0 | 0 | 0 | 114.1 | P42 G46 | P42-G44 PolarHBondContact O-N 2.97Å; P42-G44 VanDerWaalsContact O-N 3.15Å; G44-G46 VanDerWaalsContact C-N 3.31Å |
| 45 | E | 50.1 | Low | 52.6 | Low | 210 Ų | 210 | 130.9 Ų | 130.9 | 98% | 0.981 | 78% | 0.782 | S | S | * | * | | | trans | -99.8 | 68.9 | 143.4 | -74.8 | 179 | 114.7 | 0 | 0 | 106.7 | | |
| 46 | G | 44.4 | Very low | 51.7 | Low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | | | trans | -96.5 | 110.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | G44 S48 | G44-G46 VanDerWaalsContact C-N 3.31Å; G46-S48 PolarHBondContact O-N 2.8Å |
| 47 | E | 49.1 | Very low | 50.7 | Low | 191 Ų | 191 | 130.8 Ų | 130.8 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -30.5 | 120.3 | 159.2 | -169.5 | 163.5 | 137.6 | 0 | 0 | 110.7 | P49 | E47-P49 VanDerWaalsContact O-CD 3.23Å; E47-P49 WeakPolarHBondContact O-CD 3.47Å |
| 48 | S | 40.3 | Very low | 50 | Low | 104 Ų | 104 | 128.6 Ų | 128.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 132 | -174.9 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | G46 | G46-S48 PolarHBondContact O-N 2.8Š|
| 49 | P | 45.6 | Very low | 49.1 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | | -90.1 | 151 | 129.8 | 31.5 | -29.3 | 0 | 0 | 0 | 109.5 | E47 | E47-P49 VanDerWaalsContact O-CD 3.23Å; E47-P49 WeakPolarHBondContact O-CD 3.47Å |
| 50 | P | 49 | Very low | 48.3 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -69.3 | 139.5 | -157.2 | 27.9 | -35.3 | 0 | 0 | 0 | 113.8 | | |
| 51 | V | 54.1 | Low | 47.9 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | 40.5 | 98.4 | 150.8 | -175.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 52 | N | 47.3 | Very low | 47.6 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -157.1 | 107 | 137.9 | -157.9 | 21.2 | 0 | 0 | 0 | 112.6 | | |
| 53 | G | 45.1 | Very low | 47.4 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | 87.9 | 87.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 54 | T | 53 | Low | 47.6 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | | 177.2 | 111.4 | 113.4 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 55 | D | 39.2 | Very low | 47.6 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | | | | -172.8 | 128.6 | 127.4 | -121.5 | -113 | 0 | 0 | 0 | 109 | | |
| 56 | E | 48.7 | Very low | 48 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -84.9 | 122.2 | 176.8 | 178.9 | -160.6 | 117.2 | 0 | 0 | 109.1 | | |
| 57 | A | 46.9 | Very low | 48.8 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -163.1 | 109.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 58 | A | 44.5 | Very low | 49 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | 64.5 | 112 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 59 | G | 45.3 | Very low | 50.1 | Low | 83 Ų | 83 | 122.5 Ų | 122.5 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | 146.3 | 51 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 60 | A | 42.3 | Very low | 50.5 | Low | 88 Ų | 88 | 123.3 Ų | 123.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -165.4 | 110.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 61 | T | 48.4 | Very low | 50.4 | Low | 149 Ų | 149 | 123.3 Ų | 123.3 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | | | trans | 29 | 104.2 | 143.1 | 63 | 0 | 0 | 0 | 0 | 117.7 | | |
| 62 | G | 49.2 | Very low | 50.1 | Low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | 170.6 | 84 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 63 | D | 50.3 | Low | 49.9 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | 29.2 | 121.1 | 141.6 | -153.6 | 25.6 | 0 | 0 | 0 | 120.6 | | |
| 64 | A | 57.8 | Low | 49.7 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | | | trans | 53.3 | 94.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 65 | I | 50.4 | Low | 49.5 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | | -170.6 | 116.9 | 119.3 | 37.1 | 174.8 | 0 | 0 | 0 | 109.9 | P67 | I65-P67 WeakPolarHBondContact O-CD 3.23Š|
| 66 | E | 58.4 | Low | 49.9 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -71.7 | 120.8 | 171.3 | -178.3 | -173.2 | -178.5 | 0 | 0 | 109.4 | A68 | E66-A68 PolarHBondContact O-N 2.91Š|
| 67 | P | 60.3 | Low | 50.1 | Low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -72.2 | 115.1 | 172.1 | 28.1 | -31.3 | 0 | 0 | 0 | 109.4 | I65 | I65-P67 WeakPolarHBondContact O-CD 3.23Š|
| 68 | A | 53.8 | Low | 50 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E66 | E66-A68 PolarHBondContact O-N 2.91Š|
| 69 | P | 61.8 | Low | 50.1 | Low | 106 Ų | 106 | 127.2 Ų | 127.2 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 136 | 175.9 | 26.6 | -33.2 | 0 | 0 | 0 | 110.2 | S71 | P69-S71 PolarHBondContact O-N 3.23Š|
| 70 | P | 55 | Low | 50.4 | Low | 131 Ų | 131 | 129.4 Ų | 129.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 123.7 | 173.4 | 25 | -32 | 0 | 0 | 0 | 109.3 | Q72 | P70-Q72 PolarHBondContact O-N 2.97Š|
| 71 | S | 47.3 | Very low | 51.2 | Low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 123.4 | -176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | P69 G73 | P69-S71 PolarHBondContact O-N 3.23Å; S71-G73 PolarHBondContact O-N 3.32Å |
| 72 | Q | 47.9 | Very low | 51.4 | Low | 203 Ų | 203 | 128.7 Ų | 128.7 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 114.6 | 158.3 | -173.6 | -178.7 | -28.6 | 0 | 0 | 108.5 | P70 | P70-Q72 PolarHBondContact O-N 2.97Š|
| 73 | G | 43.5 | Very low | 52 | Low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 144.5 | 97.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | S71 | S71-G73 PolarHBondContact O-N 3.32Š|
| 74 | A | 39.3 | Very low | 52.3 | Low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -167.3 | 96 | 142.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A76 | A74-A76 PolarHBondContact O-N 3.24Š|
| 75 | E | 49.5 | Very low | 52.5 | Low | 202 Ų | 202 | 135.9 Ų | 135.9 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | | | trans | -62.2 | 99.6 | 165.2 | -55.9 | -174.8 | 113 | 0 | 0 | 108.4 | | |
| 76 | A | 47.7 | Very low | 53 | Low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | trans | -110.8 | 98 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | A74 G78 | A74-A76 PolarHBondContact O-N 3.24Å; A76-G78 PolarHBondContact O-N 2.85Å |
| 77 | K | 53.4 | Low | 53.6 | Low | 215 Ų | 215 | 132.3 Ų | 132.3 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | trans | -55.6 | 86.3 | 164.6 | -70.9 | -109.2 | -177.2 | 176.7 | 0 | 109 | | |
| 78 | G | 44.1 | Very low | 54.1 | Low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | trans | -104.9 | 85.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A76 V80 | A76-G78 PolarHBondContact O-N 2.85Å; G78-V80 VanDerWaalsContact C-N 3.28Å; G78-V80 PolarHBondContact O-N 2.88Å |
| 79 | E | 47 | Very low | 55 | Low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -62.8 | 91.3 | 167.2 | -174.9 | 166.4 | 149.7 | 0 | 0 | 108.4 | P81 | E79-P81 VanDerWaalsContact O-CD 3.31Å; E79-P81 WeakPolarHBondContact O-CD 3.11Å |
| 80 | V | 51.9 | Low | 55.8 | Low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | trans | -83 | 111.3 | 170.8 | -179.8 | 0 | 0 | 0 | 0 | 106.4 | G78 | G78-V80 VanDerWaalsContact C-N 3.28Å; G78-V80 PolarHBondContact O-N 2.88Å |
| 81 | P | 59.3 | Low | 56.6 | Low | 101 Ų | 101 | 147.6 Ų | 147.6 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | trans | -60.4 | 150 | -179.5 | 23.5 | -32.6 | 0 | 0 | 0 | 111.1 | E79 K83 | E79-P81 VanDerWaalsContact O-CD 3.31Å; E79-P81 WeakPolarHBondContact O-CD 3.11Å; P81-K83 PolarHBondContact O-N 3.34Å |
| 82 | P | 52 | Low | 57.8 | Low | 120 Ų | 120 | 150.4 Ų | 150.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -64.7 | 134.2 | -166.5 | 26 | -34.1 | 0 | 0 | 0 | 111.3 | E84 | P82-E84 PolarHBondContact O-N 2.84Š|
| 83 | K | 61.9 | Low | 58.8 | Low | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -27.3 | 100.5 | 164 | -78.6 | 175.1 | 171.9 | 162.1 | 0 | 111.3 | P81 T85 | P81-K83 PolarHBondContact O-N 3.34Å; K83-T85 PolarHBondContact O-N 3.18Å |
| 84 | E | 55.9 | Low | 60 | Low | 152 Ų | 152 | 146.8 Ų | 146.8 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | | | trans | -64.8 | 107.5 | 174.3 | -151.9 | -163.7 | 161.2 | 0 | 0 | 107.2 | P82 K87 | P82-E84 PolarHBondContact O-N 2.84Å; E84-K87 IonicContact OE1-NZ 2.8Å; E84-K87 PolarHBondContact OE1-NZ 2.62Å |
| 85 | T | 63.3 | Low | 61.5 | Low | 108 Ų | 108 | 150.2 Ų | 150.2 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | | | trans | -46.7 | 133.4 | 177.4 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | K83 K87 | K83-T85 PolarHBondContact O-N 3.18Å; T85-K87 PolarHBondContact O-N 2.67Å |
| 86 | P | 60.3 | Low | 62.7 | Low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | trans | -62 | 102.2 | 177 | 24.3 | -31.8 | 0 | 0 | 0 | 108.5 | K88 | P86-K88 PolarHBondContact O-N 3.12Å; P86-K88 VanDerWaalsContact O-N 3.09Å |
| 87 | K | 71.2 | Confident | 63.9 | Low | 162 Ų | 162 | 148.9 Ų | 148.9 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | | | trans | -45 | 119.5 | 178.3 | -83.3 | -175.5 | 172.4 | 91.1 | 0 | 108.5 | E84 T85 K89 | E84-K87 IonicContact OE1-NZ 2.8Å; E84-K87 PolarHBondContact OE1-NZ 2.62Å; T85-K87 PolarHBondContact O-N 2.67Å; K87-K89 PolarHBondContact O-N 2.8Å; K87-K89 VanDerWaalsContact O-N 3.1Å |
| 88 | K | 70.6 | Confident | 64.8 | Low | 204 Ų | 204 | 147.2 Ų | 147.2 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | | | trans | 4.7 | 92.9 | 168.3 | -67 | 176.3 | 179.6 | 171.2 | 0 | 112.6 | P86 K90 | P86-K88 PolarHBondContact O-N 3.12Å; P86-K88 VanDerWaalsContact O-N 3.09Å; K88-K90 PolarHBondContact O-N 2.86Å |
| 89 | K | 73.1 | Confident | 66.1 | Low | 187 Ų | 187 | 153.3 Ų | 153.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -55 | 107.7 | 164.2 | -72.8 | -178.7 | 179 | 175.5 | 0 | 106.2 | K87 K91 | K87-K89 PolarHBondContact O-N 2.8Å; K87-K89 VanDerWaalsContact O-N 3.1Å; K89-K91 PolarHBondContact O-N 3.09Å |
| 90 | K | 77.9 | Confident | 67.1 | Low | 177 Ų | 177 | 151 Ų | 151 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | -47.6 | 108.9 | 172.2 | 176.3 | 171.3 | 176.7 | 173.3 | 0 | 105.6 | K88 F92 | K88-K90 PolarHBondContact O-N 2.86Å; K90-F92 PolarHBondContact O-N 2.69Å |
| 91 | K | 72.6 | Confident | 67.8 | Low | 191 Ų | 191 | 150.7 Ų | 150.7 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | trans | -49.3 | 114.3 | 174.8 | -47.6 | -172.7 | -173.8 | -171.8 | 0 | 103.6 | K89 S93 | K89-K91 PolarHBondContact O-N 3.09Å; K91-S93 PolarHBondContact O-N 2.85Å |
| 92 | F | 71.4 | Confident | 68.3 | Low | 176 Ų | 176 | 148.6 Ų | 148.6 | 77% | 0.772 | 74% | 0.739 | S | S | * | * | | | trans | -60.3 | 87.9 | -177.8 | -177.5 | -108.6 | 0 | 0 | 0 | 105.3 | K90 F94 | K90-F92 PolarHBondContact O-N 2.69Å; F92-F94 AromaticContact CD1-CD2 3.86Å; F92-F94 HydrophobicContact CD1-CD2 3.86Å; F92-F94 AromaticContact CE1-CD2 3.41Å; F92-F94 HydrophobicContact CE1-CD2 3.41Å; F92-F94 VanDerWaalsContact CE1-CD2 3.41Å; F92-F94 AromaticContact CE1-CE2 3.77Å; F92-F94 HydrophobicContact CE1-CE2 3.77Å; F92-F94 HydrophobicContact CZ-CD2 4.47Å; F92-F94 PolarHBondContact O-N 2.72Å |
| 93 | S | 68.5 | Low | 69.1 | Low | 62 Ų | 62 | 148.5 Ų | 148.5 | 43% | 0.434 | 73% | 0.732 | S | S | . | * | | | trans | -65.9 | 98.8 | 176.6 | 57.9 | 0 | 0 | 0 | 0 | 102.1 | K91 K95 | K91-S93 PolarHBondContact O-N 2.85Å; S93-K95 PolarHBondContact O-N 3.45Å; S93-K95 WeakPolarHBondContact OG-CD 3.38Å |
| 94 | F | 69.1 | Low | 69.5 | Low | 138 Ų | 138 | 143.2 Ų | 143.2 | 61% | 0.605 | 72% | 0.72 | S | S | * | * | | | trans | -62.9 | 74.7 | 164 | -143 | -91.2 | 0 | 0 | 0 | 104.7 | F92 K96 F98 | F92-F94 AromaticContact CD1-CD2 3.86Å; F92-F94 HydrophobicContact CD1-CD2 3.86Å; F92-F94 AromaticContact CE1-CD2 3.41Å; F92-F94 HydrophobicContact CE1-CD2 3.41Å; F92-F94 VanDerWaalsContact CE1-CD2 3.41Å; F92-F94 AromaticContact CE1-CE2 3.77Å; F92-F94 HydrophobicContact CE1-CE2 3.77Å; F92-F94 HydrophobicContact CZ-CD2 4.47Å; F92-F94 PolarHBondContact O-N 2.72Å; F94-K96 WeakPolarHBondContact CD1-O 3.15Å; F94-K96 CarbonylContact O-C 3.46Å; F94-K96 PolarHBondContact O-N 3.04Å; F94-F98 HydrophobicContact CE1-CD2 4.43Å |
| 95 | K | 71.1 | Confident | 70.1 | Confident | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.735 | 72% | 0.723 | S | S | * | * | | | trans | -73 | 18.2 | -166 | -111.4 | 161.5 | 74.5 | 169.8 | 0 | 112.4 | S93 | S93-K95 PolarHBondContact O-N 3.45Å; S93-K95 WeakPolarHBondContact OG-CD 3.38Å |
| 96 | K | 74.6 | Confident | 70.4 | Confident | 158 Ų | 158 | 147.5 Ų | 147.5 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -149.6 | 112.1 | 161.6 | -73.5 | 107.1 | -179.1 | -169.7 | 0 | 105.1 | F94 F98 | F94-K96 WeakPolarHBondContact CD1-O 3.15Å; F94-K96 CarbonylContact O-C 3.46Å; F94-K96 PolarHBondContact O-N 3.04Å; K96-F98 PolarHBondContact O-N 3.08Å; K96-F98 VanDerWaalsContact O-N 3.08Å |
| 97 | P | 73 | Confident | 70.6 | Confident | 109 Ų | 109 | 150.5 Ų | 150.5 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | | | trans | -53.9 | 122.2 | 150.4 | 26.4 | -31.3 | 0 | 0 | 0 | 105.2 | K99 | P97-K99 PolarHBondContact O-N 2.73Š|
| 98 | F | 72.4 | Confident | 70.3 | Confident | 180 Ų | 180 | 149.3 Ų | 149.3 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | | | trans | -48.5 | 122.7 | 171.1 | -123.4 | -100.1 | 0 | 0 | 0 | 106.3 | F94 K96 L100 | F94-F98 HydrophobicContact CE1-CD2 4.43Å; K96-F98 PolarHBondContact O-N 3.08Å; K96-F98 VanDerWaalsContact O-N 3.08Å; F98-L100 PolarHBondContact O-N 2.68Å |
| 99 | K | 71.8 | Confident | 70 | Confident | 187 Ų | 187 | 147.4 Ų | 147.4 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | | | trans | -72.8 | 66.3 | -172.3 | -61.2 | 177.4 | 74.8 | 160.8 | 0 | 109.6 | P97 S101 | P97-K99 PolarHBondContact O-N 2.73Å; K99-S101 PolarHBondContact O-N 2.93Å |
| 100 | L | 67.9 | Low | 69.6 | Low | 140 Ų | 140 | 147.9 Ų | 147.9 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | | | trans | -69.6 | 11.3 | 167.5 | -147.8 | 80 | 0 | 0 | 0 | 112.1 | F98 G102 L103 | F98-L100 PolarHBondContact O-N 2.68Å; L100-G102 PolarHBondContact O-N 2.88Å; L100-L103 PolarHBondContact O-N 2.94Å |
| 101 | S | 66.1 | Low | 68.6 | Low | 124 Ų | 124 | 148 Ų | 148 | 87% | 0.867 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 29.8 | 162.8 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | K99 | K99-S101 PolarHBondContact O-N 2.93Š|
| 102 | G | 69.1 | Low | 67.6 | Low | 57 Ų | 57 | 142.1 Ų | 142.1 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | -2.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L100 S104 | L100-G102 PolarHBondContact O-N 2.88Å; G102-S104 PolarHBondContact O-N 3.45Å |
| 103 | L | 70.1 | Confident | 66.7 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | | | trans | -80.2 | 60.7 | 168.8 | -165.8 | 66 | 0 | 0 | 0 | 109.8 | L100 F105 | L100-L103 PolarHBondContact O-N 2.94Å; L103-F105 HydrophobicContact CD2-CE2 3.75Å; L103-F105 HydrophobicContact CD2-CZ 4.29Å; L103-F105 HydrophobicContact CG-CD2 4.19Å; L103-F105 HydrophobicContact CG-CE2 3.87Å; L103-F105 PolarHBondContact O-N 3.03Å |
| 104 | S | 70.2 | Confident | 65.7 | Low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | | | trans | -73.5 | 101.1 | 161.2 | 57.2 | 0 | 0 | 0 | 0 | 106.7 | G102 K106 | G102-S104 PolarHBondContact O-N 3.45Å; S104-K106 VanDerWaalsContact C-N 3.28Å; S104-K106 PolarHBondContact O-N 3.16Å |
| 105 | F | 67.6 | Low | 64.5 | Low | 173 Ų | 173 | 137.2 Ų | 137.2 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | trans | -54.2 | 101.1 | 159.2 | -77.4 | -91.9 | 0 | 0 | 0 | 107 | L103 R107 | L103-F105 HydrophobicContact CD2-CE2 3.75Å; L103-F105 HydrophobicContact CD2-CZ 4.29Å; L103-F105 HydrophobicContact CG-CD2 4.19Å; L103-F105 HydrophobicContact CG-CE2 3.87Å; L103-F105 PolarHBondContact O-N 3.03Å; F105-R107 PolarHBondContact O-N 3.37Å |
| 106 | K | 69.5 | Low | 63.2 | Low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | trans | -67.2 | 79.4 | 161.5 | -71.5 | 174 | 76.7 | 176.2 | 0 | 106 | S104 N108 | S104-K106 VanDerWaalsContact C-N 3.28Å; S104-K106 PolarHBondContact O-N 3.16Å; K106-N108 PolarHBondContact O-N 3.33Å |
| 107 | R | 65.4 | Low | 62.2 | Low | 178 Ų | 178 | 132.3 Ų | 132.3 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | | | trans | -59 | 83.7 | 154.8 | -173.7 | -148.1 | -40.3 | 155.6 | 8.9 | 106.1 | F105 R109 | F105-R107 PolarHBondContact O-N 3.37Å; R107-R109 HydrophobicContact CG-CB 4.37Å; R107-R109 PolarHBondContact O-N 3.17Å |
| 108 | N | 63.3 | Low | 60.4 | Low | 138 Ų | 138 | 131.4 Ų | 131.4 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | -67.9 | 91.3 | 155.1 | -89.4 | -33 | 0 | 0 | 0 | 105.7 | K106 K110 | K106-N108 PolarHBondContact O-N 3.33Å; N108-K110 PolarHBondContact O-N 2.83Å |
| 109 | R | 64.9 | Low | 59 | Low | 163 Ų | 163 | 128.5 Ų | 128.5 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | | | trans | -72.7 | 89.1 | 169.9 | -176.9 | 178.7 | -77.3 | -179.9 | -4.8 | 108 | R107 | R107-R109 HydrophobicContact CG-CB 4.37Å; R107-R109 PolarHBondContact O-N 3.17Å |
| 110 | K | 64.8 | Low | 57 | Low | 198 Ų | 198 | 123.9 Ų | 123.9 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -167.7 | 65.6 | 131.1 | -164 | 137.9 | 172.5 | 179.4 | 0 | 103.4 | N108 | N108-K110 PolarHBondContact O-N 2.83Š|
| 111 | E | 58.1 | Low | 55.9 | Low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | S | Bend | | -154 | 153 | 81.5 | -77.2 | 157.4 | 179.8 | 0 | 0 | 109.9 | | |
| 112 | G | 51 | Low | 54.3 | Low | 66 Ų | 66 | 122.7 Ų | 122.7 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | | | trans | 98.1 | 89.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 113 | G | 52.5 | Low | 53 | Low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | | | trans | -94.5 | 155.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 114 | G | 47.3 | Very low | 51.3 | Low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | | | trans | 109.7 | 83.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 115 | D | 43.8 | Very low | 49.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | | 63 | 119.9 | 89.2 | -91.3 | -69.3 | 0 | 0 | 0 | 115.5 | | |
| 116 | S | 44.6 | Very low | 48.5 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | | | trans | 72.2 | 113.2 | 141.7 | -66.5 | 0 | 0 | 0 | 0 | 119.1 | A118 | S116-A118 PolarHBondContact O-N 3.2Š|
| 117 | S | 52.5 | Low | 47.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | | | | 31.3 | 80 | 120 | -174.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 118 | A | 34.9 | Very low | 45.9 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -128 | 99.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S116 S120 | S116-A118 PolarHBondContact O-N 3.2Å; A118-S120 PolarHBondContact O-N 2.86Å |
| 119 | S | 43 | Very low | 44.5 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -68.1 | 111.4 | 149.7 | 164.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 120 | S | 31.2 | Very low | 43.2 | Very low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | trans | -157 | 128 | 147.2 | -71.1 | 0 | 0 | 0 | 0 | 107.1 | A118 T122 | A118-S120 PolarHBondContact O-N 2.86Å; S120-T122 PolarHBondContact O-N 2.76Å; S120-T122 VanDerWaalsContact O-N 3.13Å |
| 121 | P | 43.9 | Very low | 42.1 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | trans | -75.2 | 100.7 | 164.2 | 31.7 | -26.3 | 0 | 0 | 0 | 106.1 | | |
| 122 | T | 33.3 | Very low | 41 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | trans | -136.3 | 102.1 | 166.1 | -57.9 | 0 | 0 | 0 | 0 | 105.3 | S120 | S120-T122 PolarHBondContact O-N 2.76Å; S120-T122 VanDerWaalsContact O-N 3.13Å |
| 123 | E | 40.6 | Very low | 40.2 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | 33.2 | 99.6 | 130.2 | -152.1 | -178.5 | 149.3 | 0 | 0 | 113.7 | | |
| 124 | E | 34.2 | Very low | 39.4 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | | -165.3 | 137.1 | 115.1 | -137.8 | 177.4 | 97.5 | 0 | 0 | 110.6 | | |
| 125 | E | 38.2 | Very low | 39 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -43.1 | 144.4 | 167.2 | -171.4 | 151.8 | 74.5 | 0 | 0 | 112.4 | E127 | E125-E127 PolarHBondContact O-N 3.37Š|
| 126 | Q | 41.6 | Very low | 38.6 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -56.3 | 137.2 | 168.3 | -67.4 | 174.5 | -98.4 | 0 | 0 | 110 | | |
| 127 | E | 40.5 | Very low | 38.2 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | | | | 82.7 | 127.2 | 126.1 | -175.5 | 176.2 | 142 | 0 | 0 | 117.9 | E125 | E125-E127 PolarHBondContact O-N 3.37Š|
| 128 | Q | 39.3 | Very low | 37.3 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 83 | 105.2 | 165.2 | -70.7 | 166.9 | 60 | 0 | 0 | 117.8 | | |
| 129 | G | 34.8 | Very low | 36.9 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 162.3 | 86 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 130 | E | 37.3 | Very low | 36.7 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | 26.1 | 110.3 | 135.2 | -167.8 | 176.2 | 148.1 | 0 | 0 | 119 | | |
| 131 | I | 40.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | | | trans | -154.4 | 124.2 | 133.1 | 48.5 | 165.5 | 0 | 0 | 0 | 109.8 | | |
| 132 | G | 35.8 | Very low | 36.6 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | | | trans | 164.6 | 59.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 133 | A | 34.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | trans | -16.2 | 136 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 134 | C | 36.1 | Very low | 36.6 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | 69.5 | 99.2 | 134.7 | -158.6 | 0 | 0 | 0 | 0 | 118 | | |
| 135 | S | 39.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | | 177.2 | 91.5 | 120.4 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 136 | D | 34 | Very low | 36.6 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | | | trans | -120.4 | 98.2 | 159 | -171.1 | -101.1 | 0 | 0 | 0 | 107.2 | | |
| 137 | E | 37 | Very low | 36.5 | Very low | 199 Ų | 199 | 132 Ų | 132 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | | | trans | -169.2 | 124.5 | 152.9 | -158.6 | 174.3 | 115.1 | 0 | 0 | 107.7 | | |
| 138 | G | 32.3 | Very low | 36.2 | Very low | 61 Ų | 61 | 130.8 Ų | 130.8 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | | | trans | 150.2 | 84.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 139 | T | 28.4 | Very low | 36.4 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | | | trans | 84.3 | 116.3 | 141.5 | 68.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 140 | A | 38.3 | Very low | 36.7 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | | | trans | -73 | 157.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 141 | Q | 35.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | | | trans | 83.4 | 129.7 | 139.6 | -144.8 | -176 | -54.9 | 0 | 0 | 119.8 | | |
| 142 | E | 36.3 | Very low | 36.9 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 84.9 | 118.4 | 148.2 | -133.6 | 174.7 | 121.5 | 0 | 0 | 119.2 | | |
| 143 | G | 35.6 | Very low | 37 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | 174.5 | 64.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | A145 | G143-A145 PolarHBondContact O-N 3.29Š|
| 144 | K | 39.2 | Very low | 37.7 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | trans | -59.8 | 122.8 | 156.9 | -91.1 | -160.9 | -179.4 | -70.8 | 0 | 108.3 | | |
| 145 | A | 34.9 | Very low | 38.2 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | | | trans | -160.8 | 123.5 | 140.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G143 | G143-A145 PolarHBondContact O-N 3.29Š|
| 146 | A | 37.6 | Very low | 38.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | -59.6 | 135.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 147 | A | 40 | Very low | 39.1 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -143.5 | 103.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 148 | T | 34.4 | Very low | 38.9 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -28 | 129.4 | 160.8 | -40.5 | 0 | 0 | 0 | 0 | 113.2 | E150 | T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 VanDerWaalsContact O-N 3.15Å |
| 149 | P | 42.9 | Very low | 39.3 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -74.1 | 98.9 | 152.8 | 29 | -28.2 | 0 | 0 | 0 | 107.3 | | |
| 150 | E | 40.5 | Very low | 39.6 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -60 | 133.6 | 168.6 | -171.9 | 176.1 | 107.6 | 0 | 0 | 109.6 | T148 | T148-E150 PolarHBondContact O-N 3.3Å; T148-E150 VanDerWaalsContact O-N 3.15Å |
| 151 | S | 41.1 | Very low | 39.7 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | | | trans | -43.3 | 128 | 176.3 | -166.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 152 | Q | 41.1 | Very low | 40 | Very low | 202 Ų | 202 | 134.7 Ų | 134.7 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | -119.3 | 99.6 | 147.5 | -97.6 | -171.6 | 32.8 | 0 | 0 | 108.9 | | |
| 153 | E | 38.5 | Very low | 40.1 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -67.5 | 146.4 | 171 | -172.9 | 175.2 | 103.9 | 0 | 0 | 111.1 | Q155 | E153-Q155 PolarHBondContact O-N 3.15Š|
| 154 | P | 48.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -75.3 | 112.1 | 171.1 | 29.7 | -32.6 | 0 | 0 | 0 | 110.6 | A156 | P154-A156 PolarHBondContact O-N 2.93Š|
| 155 | Q | 46.1 | Very low | 40.3 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | | | trans | -78.3 | 114.3 | 170.2 | -69.2 | -157.5 | -44.2 | 0 | 0 | 111 | E153 | E153-Q155 PolarHBondContact O-N 3.15Š|
| 156 | A | 48.4 | Very low | 40.8 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | | | trans | -97.8 | 146.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P154 | P154-A156 PolarHBondContact O-N 2.93Š|
| 157 | K | 44.1 | Very low | 40.7 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | 90.6 | 134.3 | 151.7 | -59.3 | -172.5 | 178.7 | -175.6 | 0 | 121 | | |
| 158 | G | 34.7 | Very low | 40.7 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | 142.2 | 95.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 159 | A | 39 | Very low | 40.8 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | | 50.9 | 121.6 | 69.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 160 | E | 34.9 | Very low | 41.1 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | | | cis | -155.7 | 165.9 | 25 | -66.1 | 179.1 | 82.1 | 0 | 0 | 112.6 | | |
| 161 | A | 40.6 | Very low | 41.4 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | | | trans | 71.7 | 109.8 | 143.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 162 | S | 42.1 | Very low | 41.8 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 92% | 0.923 | 81% | 0.81 | S | S | * | * | | | | -151.1 | 143.3 | 110.3 | -151.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 163 | A | 39.2 | Very low | 42.1 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -92.1 | 166.8 | -158.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 164 | A | 38.4 | Very low | 42.8 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | 78.6 | 101.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 165 | S | 40 | Very low | 42.7 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | | -155.9 | 114.9 | 108.8 | -161.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 166 | E | 44.3 | Very low | 43 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -76.4 | 153.3 | 162.3 | -178 | 162.3 | 90.6 | 0 | 0 | 109.1 | | |
| 167 | E | 36.2 | Very low | 43.2 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | | | trans | 136.3 | 129.4 | 145.8 | -153 | -148.4 | 116.1 | 0 | 0 | 114.7 | | |
| 168 | A | 40 | Very low | 43.5 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | 82.8 | 90.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 169 | G | 37.3 | Very low | 44.4 | Very low | 64 Ų | 64 | 126.6 Ų | 126.6 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | | 95 | 122.8 | 112.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | Q171 | G169-Q171 PolarHBondContact O-N 2.97Š|
| 170 | P | 49.1 | Very low | 44.9 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -72.2 | 106.3 | 165.3 | 29.7 | -30.7 | 0 | 0 | 0 | 109.6 | A172 | P170-A172 PolarHBondContact O-N 3.17Š|
| 171 | Q | 46.7 | Very low | 45.8 | Very low | 175 Ų | 175 | 121.7 Ų | 121.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -69.3 | 97.3 | 170.8 | -76.9 | -89.3 | 19.7 | 0 | 0 | 109.5 | G169 T173 | G169-Q171 PolarHBondContact O-N 2.97Å; Q171-T173 PolarHBondContact O-N 3.4Å |
| 172 | A | 49.9 | Very low | 46.5 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | -55.9 | 116.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P170 | P170-A172 PolarHBondContact O-N 3.17Š|
| 173 | T | 46.3 | Very low | 47.2 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | trans | -118.2 | 102.2 | 156.1 | 25.2 | 0 | 0 | 0 | 0 | 106.9 | Q171 | Q171-T173 PolarHBondContact O-N 3.4Š|
| 174 | E | 52.3 | Low | 47.6 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -61.6 | 146.2 | 179.2 | -61.1 | -176.5 | 120.6 | 0 | 0 | 111 | S176 | E174-S176 PolarHBondContact O-N 3.13Š|
| 175 | P | 46.7 | Very low | 48.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 112.1 | 171.3 | 29.4 | -31.7 | 0 | 0 | 0 | 109.5 | T177 | P175-T177 PolarHBondContact O-N 3.48Š|
| 176 | S | 52.9 | Low | 48.8 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -55.5 | 108.6 | 166.1 | -75.6 | 0 | 0 | 0 | 0 | 109.8 | E174 | E174-S176 PolarHBondContact O-N 3.13Š|
| 177 | T | 51.6 | Low | 49.3 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 154.2 | 169.8 | 44.2 | 0 | 0 | 0 | 0 | 110 | P175 | P175-T177 PolarHBondContact O-N 3.48Š|
| 178 | P | 51.4 | Low | 49.9 | Very low | 120 Ų | 120 | 119.5 Ų | 119.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 135.6 | -160.6 | 31.2 | -34 | 0 | 0 | 0 | 112.1 | G180 | P178-G180 PolarHBondContact O-N 3.37Å; P178-G180 VanDerWaalsContact O-N 3.17Å |
| 179 | S | 53 | Low | 50.3 | Low | 127 Ų | 127 | 121.1 Ų | 121.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.2 | 166.8 | -162.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 180 | G | 51.1 | Low | 51.2 | Low | 54 Ų | 54 | 122.4 Ų | 122.4 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P178 E182 | P178-G180 PolarHBondContact O-N 3.37Å; P178-G180 VanDerWaalsContact O-N 3.17Å; G180-E182 PolarHBondContact O-N 3.35Å |
| 181 | P | 53.3 | Low | 51.7 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 120.7 | 177.8 | 29 | -32 | 0 | 0 | 0 | 110.1 | S183 | P181-S183 PolarHBondContact O-N 3.47Š|
| 182 | E | 54.5 | Low | 52 | Low | 197 Ų | 197 | 125.6 Ų | 125.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -56.8 | 110.8 | 164.7 | -83.6 | -175.1 | 84.8 | 0 | 0 | 109.2 | G180 | G180-E182 PolarHBondContact O-N 3.35Š|
| 183 | S | 57.6 | Low | 52.5 | Low | 129 Ų | 129 | 129.2 Ų | 129.2 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -77.7 | 115.5 | 155.7 | -78.3 | 0 | 0 | 0 | 0 | 108.1 | P181 | P181-S183 PolarHBondContact O-N 3.47Š|
| 184 | G | 47.5 | Very low | 53.2 | Low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 83% | 0.828 | S | S | * | * | | | trans | -118.1 | 154.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 185 | P | 55.6 | Low | 53.3 | Low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | trans | -83.2 | 155.2 | -146.4 | 32.1 | -36.4 | 0 | 0 | 0 | 117.1 | | |
| 186 | T | 46.9 | Very low | 53.6 | Low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | | | trans | -3.2 | 155 | 154.8 | 42.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 187 | P | 55.4 | Low | 53.7 | Low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | | | trans | -78.9 | 148.4 | -163.5 | 34.8 | -36.1 | 0 | 0 | 0 | 113.5 | | |
| 188 | A | 48.2 | Very low | 53.8 | Low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | | | trans | -122.5 | 127.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 189 | S | 49.9 | Very low | 53.9 | Low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | trans | 60.5 | 113.2 | 164.1 | -73.1 | 0 | 0 | 0 | 0 | 118 | | |
| 190 | A | 55.1 | Low | 54 | Low | 92 Ų | 92 | 137.4 Ų | 137.4 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | | | | 70.7 | 135.7 | 64.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 191 | E | 59.8 | Low | 54.2 | Low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 86% | 0.855 | S | S | * | * | | | trans | 87 | 96.3 | 164.3 | -150.4 | 170.6 | 95.8 | 0 | 0 | 116.5 | | |
| 192 | Q | 51.9 | Low | 54.3 | Low | 193 Ų | 193 | 144.5 Ų | 144.5 | 90% | 0.902 | 86% | 0.857 | S | S | * | * | | | | -176.6 | 92.1 | 115.6 | -98.1 | -175.8 | -25.8 | 0 | 0 | 109.3 | | |
| 193 | N | 61.3 | Low | 54.2 | Low | 159 Ų | 159 | 140.1 Ų | 140.1 | 85% | 0.85 | 85% | 0.851 | S | S | * | * | | | trans | -144 | 97.4 | 153.8 | 179.4 | 27.6 | 0 | 0 | 0 | 107.2 | | |
| 194 | E | 61.4 | Low | 53.9 | Low | 264 Ų | 264 | 141.1 Ų | 141.1 | 100% | 1.234 | 85% | 0.847 | S | S | * | * | | | trans | -150.6 | 0 | 142.7 | -145.9 | 176.5 | 123.7 | 0 | 0 | 109.1 | | |