| 1 | M | 55.1 | Low | 52.7 | Low | 228 Ų | 228 | 147.2 Ų | 147.2 | 100% | 1.123 | 79% | 0.794 | S | S | * | * | | | | 0 | 94.3 | 0 | -79.4 | -52.9 | -166.2 | 0 | 0 | 105.4 | | |
| 2 | D | 44 | Very low | 52.4 | Low | 159 Ų | 159 | 152.6 Ų | 152.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -131.5 | 114.4 | -157.3 | -57.2 | -97.1 | 0 | 0 | 0 | 106.4 | | |
| 3 | E | 59.9 | Low | 51.9 | Low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | | | trans | -136.2 | 80.7 | -178.4 | -169 | 164.4 | -142.3 | 0 | 0 | 108.3 | | |
| 4 | I | 57.6 | Low | 51.8 | Low | 168 Ų | 168 | 152.4 Ų | 152.4 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | | | trans | -102 | 97.3 | 171.3 | -59.1 | 179 | 0 | 0 | 0 | 106.2 | S6 | I4-S6 PolarHBondContact O-N 3.34Š|
| 5 | A | 55.7 | Low | 51.5 | Low | 88 Ų | 88 | 152.5 Ų | 152.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -63 | 122.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V7 | A5-V7 PolarHBondContact O-N 3.29Š|
| 6 | S | 49.4 | Very low | 51.5 | Low | 100 Ų | 100 | 148.6 Ų | 148.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 99.7 | 175.8 | 53.9 | 0 | 0 | 0 | 0 | 110.6 | I4 T8 | I4-S6 PolarHBondContact O-N 3.34Å; S6-T8 PolarHBondContact O-N 3.46Å |
| 7 | V | 52.6 | Low | 51.4 | Low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | | | trans | -76.4 | 104 | 168.7 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | A5 | A5-V7 PolarHBondContact O-N 3.29Š|
| 8 | T | 48.7 | Very low | 50.7 | Low | 120 Ų | 120 | 148.9 Ų | 148.9 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -111.3 | 89.2 | 171.3 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | S6 | S6-T8 PolarHBondContact O-N 3.46Š|
| 9 | D | 51.6 | Low | 50.3 | Low | 138 Ų | 138 | 150.3 Ų | 150.3 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | -69.9 | 131.3 | 175.7 | -72.9 | -41 | 0 | 0 | 0 | 110.9 | | |
| 10 | P | 50.5 | Low | 49.9 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 52% | 0.519 | 80% | 0.802 | S | S | . | * | | | trans | -83.1 | 137.7 | 176.7 | -0.7 | 19 | 0 | 0 | 0 | 111.5 | W12 | P10-W12 HydrophobicContact CB-CD2 3.84Å; P10-W12 HydrophobicContact CB-CE3 4.47Å; P10-W12 HydrophobicContact CB-CG 4.31Å; P10-W12 HydrophobicContact CB-CH2 4.1Å; P10-W12 HydrophobicContact CB-CZ2 3.4Å; P10-W12 HydrophobicContact CG-CH2 4.22Å; P10-W12 HydrophobicContact CG-CZ2 3.78Å |
| 11 | W | 54.7 | Low | 49.1 | Very low | 228 Ų | 228 | 149.4 Ų | 149.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -108 | 24.4 | -172 | 57.2 | -80.6 | 0 | 0 | 0 | 113.8 | D13 | W11-D13 PolarHBondContact O-N 3.38Š|
| 12 | W | 48.5 | Very low | 48.4 | Very low | 212 Ų | 212 | 144.2 Ų | 144.2 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | | | trans | -97.6 | 35.3 | -172.2 | 30.7 | -110.1 | 0 | 0 | 0 | 114.9 | P10 | P10-W12 HydrophobicContact CB-CD2 3.84Å; P10-W12 HydrophobicContact CB-CE3 4.47Å; P10-W12 HydrophobicContact CB-CG 4.31Å; P10-W12 HydrophobicContact CB-CH2 4.1Å; P10-W12 HydrophobicContact CB-CZ2 3.4Å; P10-W12 HydrophobicContact CG-CH2 4.22Å; P10-W12 HydrophobicContact CG-CZ2 3.78Å |
| 13 | D | 46.3 | Very low | 48.4 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -141.7 | 77.8 | 179.7 | -143.4 | 5.9 | 0 | 0 | 0 | 111.2 | W11 | W11-D13 PolarHBondContact O-N 3.38Š|
| 14 | I | 50.9 | Low | 47.1 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | -138.5 | 102.4 | 173.8 | -57.5 | -178.8 | 0 | 0 | 0 | 108.8 | | |
| 15 | D | 47.1 | Very low | 45.9 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.1 | 172.1 | -84.2 | -49.6 | 0 | 0 | 0 | 112.2 | | |
| 16 | A | 50.9 | Low | 44.7 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 128.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M18 | A16-M18 PolarHBondContact O-N 3.48Š|
| 17 | P | 49.8 | Very low | 44.2 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122 | -180 | 27.8 | -33.7 | 0 | 0 | 0 | 111.4 | L19 | P17-L19 PolarHBondContact O-N 2.99Š|
| 18 | M | 38.6 | Very low | 43.4 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 121.8 | 168.5 | -76.4 | 170.4 | 48.9 | 0 | 0 | 110.8 | A16 | A16-M18 PolarHBondContact O-N 3.48Š|
| 19 | L | 44.7 | Very low | 42.6 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -91 | 112.8 | 164 | -72.4 | 175.3 | 0 | 0 | 0 | 109.4 | P17 | P17-L19 PolarHBondContact O-N 2.99Š|
| 20 | A | 40.8 | Very low | 42 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -79.2 | 156.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 21 | E | 34.1 | Very low | 41.1 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -69.3 | 131 | -179.2 | -55.3 | 174.2 | 127.2 | 0 | 0 | 112 | | |
| 22 | T | 40.1 | Very low | 40.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | | | trans | -164.5 | 161.4 | 149 | -1.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 23 | F | 43.2 | Very low | 39.8 | Very low | 207 Ų | 207 | 133 Ų | 133 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | | | trans | 71.2 | 92.9 | 179.3 | -53.2 | -68.6 | 0 | 0 | 0 | 116.6 | | |
| 24 | G | 32.9 | Very low | 40.1 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | -102 | -164.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 25 | S | 33.5 | Very low | 39.4 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 71.6 | 101.2 | 168.9 | -59.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 26 | S | 30.3 | Very low | 38.9 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | 55.6 | 103.6 | 141.5 | 62.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 27 | A | 38.6 | Very low | 38.1 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -140.7 | 121.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 28 | T | 35.7 | Very low | 37.6 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | | | trans | -83.4 | 123.2 | 175.5 | 48 | 0 | 0 | 0 | 0 | 110.8 | | |
| 29 | G | 32.1 | Very low | 37.5 | Very low | 61 Ų | 61 | 139.8 Ų | 139.8 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | | | trans | 167 | 151.3 | 167 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 30 | F | 38.5 | Very low | 37.2 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | | | trans | 55.6 | 78.7 | 161.8 | -57.9 | -77.3 | 0 | 0 | 0 | 117.9 | | |
| 31 | G | 32.7 | Very low | 36.9 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | trans | -102.5 | 102.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 32 | D | 37.6 | Very low | 36.8 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -107.4 | 85.1 | 170.1 | -79.8 | -48.5 | 0 | 0 | 0 | 109.8 | W34 | D32-W34 PolarHBondContact O-N 3.39Š|
| 33 | S | 38.2 | Very low | 36.6 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | | | trans | -85.9 | 109.2 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | F35 | S33-F35 PolarHBondContact O-N 3.27Š|
| 34 | W | 51.1 | Low | 36.2 | Very low | 219 Ų | 219 | 133.8 Ų | 133.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -79.1 | 5.7 | -174.9 | -124.5 | -65.1 | 0 | 0 | 0 | 115.2 | D32 | D32-W34 PolarHBondContact O-N 3.39Š|
| 35 | F | 37.5 | Very low | 36.2 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -134.7 | 79.4 | -172.4 | -67.2 | -84.6 | 0 | 0 | 0 | 112.3 | S33 | S33-F35 PolarHBondContact O-N 3.27Š|
| 36 | D | 35.6 | Very low | 36.1 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -179.4 | 104 | 141 | -100.8 | -25.9 | 0 | 0 | 0 | 110.1 | | |
| 37 | T | 34.2 | Very low | 36.3 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -153.3 | 30.2 | -179.7 | -16.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 38 | T | 40 | Very low | 36.2 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -129.8 | 36.7 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 39 | L | 37.1 | Very low | 36.3 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | trans | -136 | 21.6 | 175.8 | -140.6 | 102.1 | 0 | 0 | 0 | 116.1 | | |
| 40 | L | 37.9 | Very low | 36.6 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | | | trans | -104.7 | 80.7 | 171.7 | -82.9 | 166.7 | 0 | 0 | 0 | 110.7 | | |
| 41 | G | 33.9 | Very low | 36.4 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | -153.8 | 14.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 42 | L | 32.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -119.7 | 71.4 | -178.6 | -150.5 | 84.8 | 0 | 0 | 0 | 111.3 | I44 | L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CD2-CD1 4.19Å; L42-I44 HydrophobicContact CD2-CG1 4.04Å; L42-I44 HydrophobicContact CG-CG1 4.33Å; L42-I44 PolarHBondContact O-N 3.2Å |
| 43 | T | 36 | Very low | 36.7 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | -66.8 | 87.8 | 166 | 24.9 | 0 | 0 | 0 | 0 | 109.6 | F45 | T43-F45 PolarHBondContact O-N 2.86Š|
| 44 | I | 35.2 | Very low | 36.9 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 65% | 0.651 | 80% | 0.801 | S | S | * | * | | | trans | -65.7 | 101.1 | 168.5 | -59.5 | 178 | 0 | 0 | 0 | 107.4 | L42 V46 | L42-I44 VanDerWaalsContact C-N 3.28Å; L42-I44 HydrophobicContact CD2-CD1 4.19Å; L42-I44 HydrophobicContact CD2-CG1 4.04Å; L42-I44 HydrophobicContact CG-CG1 4.33Å; L42-I44 PolarHBondContact O-N 3.2Å; I44-V46 VanDerWaalsContact C-N 3.32Å; I44-V46 HydrophobicContact CG2-CG2 4.15Å; I44-V46 PolarHBondContact O-N 3.01Å |
| 45 | F | 32.3 | Very low | 36.1 | Very low | 177 Ų | 177 | 143 Ų | 143 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -64.3 | 96.6 | 163.4 | -85.4 | -95.1 | 0 | 0 | 0 | 108.3 | T43 V47 | T43-F45 PolarHBondContact O-N 2.86Å; F45-V47 HydrophobicContact CB-CG2 4.28Å; F45-V47 PolarHBondContact O-N 2.81Å |
| 46 | V | 32.2 | Very low | 36.2 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -70.5 | 83.9 | 163.1 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | I44 S48 | I44-V46 VanDerWaalsContact C-N 3.32Å; I44-V46 HydrophobicContact CG2-CG2 4.15Å; I44-V46 PolarHBondContact O-N 3.01Å; V46-S48 PolarHBondContact O-N 3.41Å; V46-S48 VanDerWaalsContact O-N 3.15Å |
| 47 | V | 34.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | | | trans | -69.3 | 106.3 | 168.8 | 178.2 | 0 | 0 | 0 | 0 | 106.7 | F45 R49 | F45-V47 HydrophobicContact CB-CG2 4.28Å; F45-V47 PolarHBondContact O-N 2.81Å; V47-R49 PolarHBondContact O-N 3.45Å; V47-R49 VanDerWaalsContact O-N 3.08Å |
| 48 | S | 36.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | trans | -53.3 | 115.6 | 168.6 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | V46 | V46-S48 PolarHBondContact O-N 3.41Å; V46-S48 VanDerWaalsContact O-N 3.15Å |
| 49 | R | 37.8 | Very low | 37.1 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -108.4 | 81.4 | -179.2 | -169 | 176.6 | -169.3 | 163.2 | 3 | 108.1 | V47 A51 | V47-R49 PolarHBondContact O-N 3.45Å; V47-R49 VanDerWaalsContact O-N 3.08Å; R49-A51 PolarHBondContact O-N 3.32Å |
| 50 | D | 37.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -58 | 122.3 | 172.1 | -68.6 | -45.3 | 0 | 0 | 0 | 109.1 | | |
| 51 | A | 35.6 | Very low | 38 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | -154.8 | 95.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | R49 | R49-A51 PolarHBondContact O-N 3.32Š|
| 52 | T | 39.6 | Very low | 38.4 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -128 | 138 | 172.6 | -21 | 0 | 0 | 0 | 0 | 108 | | |
| 53 | E | 36.4 | Very low | 39 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -76.8 | 152.7 | -168 | -62.1 | 148.8 | 103.6 | 0 | 0 | 113.2 | | |
| 54 | T | 41.1 | Very low | 39.6 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | | | | -158.7 | 151.5 | 129.6 | 1.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 55 | T | 35.9 | Very low | 40.2 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -112.9 | -169.9 | -158.9 | -27.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 56 | P | 39.9 | Very low | 41.1 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | | | | -105.3 | 170.4 | -111.2 | 40.4 | -28.4 | 0 | 0 | 0 | 115.1 | | |
| 57 | Q | 38.3 | Very low | 41.9 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -159.4 | 135.6 | 138.2 | -116.2 | 169.5 | 20.2 | 0 | 0 | 115.8 | | |
| 58 | N | 42.3 | Very low | 42.6 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | | | trans | -7.7 | 132.2 | 162.2 | -49.4 | -15.3 | 0 | 0 | 0 | 120.7 | | |
| 59 | S | 47.7 | Very low | 43.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | | -169.1 | 153 | 110.2 | 22.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 60 | E | 45.9 | Very low | 43.5 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | -120.3 | -167.8 | -173.2 | -143.2 | -157.2 | 134.7 | 0 | 0 | 111 | | |
| 61 | P | 46.7 | Very low | 43.9 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | | -111.9 | 177.2 | -114.1 | 41.4 | -28.1 | 0 | 0 | 0 | 114.7 | | |
| 62 | A | 42.5 | Very low | 44.7 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -135.6 | 143.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 63 | A | 44.7 | Very low | 44.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -123.6 | 141.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 64 | S | 48.4 | Very low | 45.2 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -172.4 | 159 | 146 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 65 | D | 48.6 | Very low | 45.4 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | cis | 171.8 | 153.3 | -36.6 | -146.7 | -18.6 | 0 | 0 | 0 | 104 | | |
| 66 | N | 52.2 | Low | 45.8 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 81.2 | 145.3 | 174.8 | -51 | -72.9 | 0 | 0 | 0 | 119.1 | | |
| 67 | G | 47.7 | Very low | 46.1 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | 146.8 | -1.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 68 | N | 48.4 | Very low | 46.4 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | 7.9 | 108 | 164.4 | -173.8 | 16.1 | 0 | 0 | 0 | 119.4 | | |
| 69 | A | 47.1 | Very low | 46.6 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -151.3 | 112.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 70 | S | 46.3 | Very low | 46.6 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -84.6 | 138.8 | -175.7 | -177 | 0 | 0 | 0 | 0 | 113.7 | | |
| 71 | S | 46 | Very low | 46.7 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | | | trans | -152.6 | 129 | 165.3 | -174.5 | 0 | 0 | 0 | 0 | 111 | Y73 | S71-Y73 PolarHBondContact O-N 3.18Š|
| 72 | P | 52.6 | Low | 46.6 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -83 | 98 | -167.7 | 31.8 | -35.4 | 0 | 0 | 0 | 113.5 | T74 | P72-T74 PolarHBondContact O-N 3.15Å; P72-T74 VanDerWaalsContact O-N 3.15Å |
| 73 | Y | 40.5 | Very low | 46.7 | Very low | 212 Ų | 212 | 140.6 Ų | 140.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -70.6 | 104.3 | 164.6 | -93.8 | -89.1 | 0 | 0 | 0 | 111.1 | S71 T75 | S71-Y73 PolarHBondContact O-N 3.18Å; Y73-T75 PolarHBondContact O-N 3.06Å |
| 74 | T | 46.3 | Very low | 46.7 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -74.4 | 87 | 172 | 49.2 | 0 | 0 | 0 | 0 | 110.9 | P72 R76 | P72-T74 PolarHBondContact O-N 3.15Å; P72-T74 VanDerWaalsContact O-N 3.15Å; T74-R76 PolarHBondContact O-N 3.13Å |
| 75 | T | 46 | Very low | 46.5 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -64.4 | 91.3 | 173.1 | 28.8 | 0 | 0 | 0 | 0 | 111.1 | Y73 K77 | Y73-T75 PolarHBondContact O-N 3.06Å; T75-K77 PolarHBondContact O-N 3.3Å |
| 76 | R | 42.7 | Very low | 46.3 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -60.8 | 105.5 | 166.9 | -81.2 | -172.3 | 170.2 | -168.4 | -2.9 | 109.1 | T74 A78 | T74-R76 PolarHBondContact O-N 3.13Å; R76-A78 PolarHBondContact O-N 3.31Å; R76-A78 VanDerWaalsContact O-N 3.16Å |
| 77 | K | 46.2 | Very low | 45.7 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -52 | 120.3 | 170.5 | -67.2 | -171 | 176.7 | -172.8 | 0 | 109.3 | T75 K79 | T75-K77 PolarHBondContact O-N 3.3Å; K77-K79 PolarHBondContact O-N 3.37Å |
| 78 | A | 44.9 | Very low | 45.3 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -66.6 | 127 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | R76 S80 | R76-A78 PolarHBondContact O-N 3.31Å; R76-A78 VanDerWaalsContact O-N 3.16Å; A78-S80 PolarHBondContact O-N 3.13Å |
| 79 | K | 47.6 | Very low | 45.4 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | | | trans | -75.7 | 108.1 | 164.1 | -73.1 | -170.5 | 174.4 | -170.4 | 0 | 107.5 | K77 Y81 | K77-K79 PolarHBondContact O-N 3.37Å; K79-Y81 HydrophobicContact CB-CE2 4.22Å |
| 80 | S | 48.1 | Very low | 45.4 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -58.3 | 134.2 | 153.9 | 43.6 | 0 | 0 | 0 | 0 | 107.9 | A78 | A78-S80 PolarHBondContact O-N 3.13Š|
| 81 | Y | 46.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | -106.1 | 118.4 | 163.7 | -78.1 | -93.1 | 0 | 0 | 0 | 106 | K79 I83 | K79-Y81 HydrophobicContact CB-CE2 4.22Å; Y81-I83 PolarHBondContact O-N 2.87Å; Y81-I83 VanDerWaalsContact O-N 3.1Å |
| 82 | D | 44.3 | Very low | 45.1 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | -68.1 | 110.1 | 175.9 | -59.1 | -50.4 | 0 | 0 | 0 | 108.6 | I84 | D82-I84 PolarHBondContact O-N 2.98Å; D82-I84 VanDerWaalsContact O-N 3.16Å |
| 83 | I | 45.4 | Very low | 44.8 | Very low | 150 Ų | 150 | 161.8 Ų | 161.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -76 | 104 | 171.5 | -61.5 | 177.8 | 0 | 0 | 0 | 106.2 | Y81 T85 | Y81-I83 PolarHBondContact O-N 2.87Å; Y81-I83 VanDerWaalsContact O-N 3.1Å; I83-T85 VanDerWaalsContact C-N 3.29Å; I83-T85 PolarHBondContact O-N 3.27Å |
| 84 | I | 45 | Very low | 44.7 | Very low | 147 Ų | 147 | 155 Ų | 155 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -65.3 | 92.7 | 170.8 | -57.4 | 175.1 | 0 | 0 | 0 | 107.9 | D82 V86 | D82-I84 PolarHBondContact O-N 2.98Å; D82-I84 VanDerWaalsContact O-N 3.16Å; I84-V86 PolarHBondContact O-N 3.18Å; I84-V86 VanDerWaalsContact O-N 3.12Å |
| 85 | T | 44.2 | Very low | 44.2 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | -68 | 103.3 | 163.6 | 44.2 | 0 | 0 | 0 | 0 | 108 | I83 G87 | I83-T85 VanDerWaalsContact C-N 3.29Å; I83-T85 PolarHBondContact O-N 3.27Å; T85-G87 PolarHBondContact O-N 3.08Å |
| 86 | V | 44 | Very low | 44.1 | Very low | 136 Ų | 136 | 156 Ų | 156 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | | | trans | -55.3 | 127 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | I84 | I84-V86 PolarHBondContact O-N 3.18Å; I84-V86 VanDerWaalsContact O-N 3.12Å |
| 87 | G | 38.9 | Very low | 44.2 | Very low | 67 Ų | 67 | 153.2 Ų | 153.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -69.5 | 174 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T85 | T85-G87 PolarHBondContact O-N 3.08Š|
| 88 | K | 40.2 | Very low | 43.9 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -94.6 | 117.9 | 179.3 | -60 | 170.9 | -177.7 | 172.5 | 0 | 110.7 | | |
| 89 | E | 50.4 | Low | 44 | Very low | 195 Ų | 195 | 151.6 Ų | 151.6 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -126.4 | 96.5 | 159.1 | -66.9 | 176.7 | -172.5 | 0 | 0 | 105 | | |
| 90 | R | 46.6 | Very low | 44.2 | Very low | 191 Ų | 191 | 152 Ų | 152 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | | 69.7 | 113.7 | 73.8 | -71.9 | -163.5 | 110.9 | 160.7 | -0 | 113.9 | | |
| 91 | E | 44.6 | Very low | 44.3 | Very low | 136 Ų | 136 | 155 Ų | 155 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | | | trans | 59.2 | 75.5 | 131 | -64.6 | 151.3 | -150 | 0 | 0 | 117.5 | | |
| 92 | F | 42.1 | Very low | 45 | Very low | 214 Ų | 214 | 151.2 Ų | 151.2 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -142.6 | 77.7 | 145.5 | -100.1 | -73.5 | 0 | 0 | 0 | 111 | | |
| 93 | F | 45.1 | Very low | 46 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | | | trans | -91 | 102.6 | 158.8 | -90.7 | -81.6 | 0 | 0 | 0 | 107.9 | E95 | F93-E95 PolarHBondContact O-N 3.33Š|
| 94 | G | 40.1 | Very low | 46 | Very low | 70 Ų | 70 | 151.8 Ų | 151.8 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | -71.2 | 112.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | A96 | G94-A96 PolarHBondContact O-N 2.83Å; G94-A96 VanDerWaalsContact O-N 3.15Å |
| 95 | E | 35.8 | Very low | 46.3 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | -71 | 101.3 | 176.8 | -175.2 | 169.5 | -156.1 | 0 | 0 | 110 | F93 | F93-E95 PolarHBondContact O-N 3.33Š|
| 96 | A | 43.8 | Very low | 46.2 | Very low | 97 Ų | 97 | 155.4 Ų | 155.4 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -93.6 | 106.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G94 | G94-A96 PolarHBondContact O-N 2.83Å; G94-A96 VanDerWaalsContact O-N 3.15Å |
| 97 | Q | 44.4 | Very low | 46.2 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | -62.1 | 144.8 | 178.1 | -71 | -178.9 | -37.2 | 0 | 0 | 111.3 | | |
| 98 | A | 39.9 | Very low | 46.6 | Very low | 102 Ų | 102 | 160.4 Ų | 160.4 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -94.6 | 113.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 99 | D | 47 | Very low | 46.6 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -153.1 | 166.9 | 161.4 | -135.5 | -33.3 | 0 | 0 | 0 | 112.3 | | |
| 100 | E | 50.5 | Low | 45.9 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | | | trans | 59.8 | 88.1 | 171.6 | -152.7 | 162.1 | -138.8 | 0 | 0 | 118.6 | | |
| 101 | M | 50.2 | Low | 46 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 129.7 | 161.2 | -94.2 | -169.1 | 65.6 | 0 | 0 | 112.1 | | |
| 102 | P | 63.2 | Low | 45.7 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.5 | 161.1 | 30.3 | -32.8 | 0 | 0 | 0 | 110.8 | | |
| 103 | K | 63.8 | Low | 45.7 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 145 | -176.5 | -65 | 167.5 | -175.3 | 166.2 | 0 | 111.4 | I105 | K103-I105 PolarHBondContact O-N 3.1Š|
| 104 | P | 45.6 | Very low | 45.6 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.8 | 172 | 29.1 | -33.6 | 0 | 0 | 0 | 110.4 | | |
| 105 | I | 52.9 | Low | 45.2 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 75% | 0.754 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 132.3 | 170.2 | -63.2 | 176.6 | 0 | 0 | 0 | 108.1 | K103 E107 | K103-I105 PolarHBondContact O-N 3.1Å; I105-E107 HydrophobicContact CG2-CG 4.14Å |
| 106 | K | 40.9 | Very low | 45.3 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 122.9 | 168.6 | -65.2 | 178.7 | 179.2 | -179.5 | 0 | 108.3 | | |
| 107 | E | 45 | Very low | 45.2 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | -123.2 | 140.9 | 161.1 | -73.5 | -177.7 | -177.1 | 0 | 0 | 109.4 | I105 | I105-E107 HydrophobicContact CG2-CG 4.14Š|
| 108 | T | 47.4 | Very low | 44.8 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | trans | -96.1 | 149.9 | -170.7 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 109 | P | 39.7 | Very low | 44.8 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | | | trans | -70.8 | -172.5 | 161.8 | 35.4 | -36.5 | 0 | 0 | 0 | 111 | | |
| 110 | D | 36.5 | Very low | 44.5 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | 76.1 | 74.6 | 166.3 | -51 | -21.4 | 0 | 0 | 0 | 117.8 | | |
| 111 | I | 47.6 | Very low | 44.2 | Very low | 170 Ų | 170 | 155.9 Ų | 155.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -129.4 | 135 | 140.2 | -58.7 | -176.8 | 0 | 0 | 0 | 108.7 | | |
| 112 | N | 37.8 | Very low | 44 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -69 | 147.4 | -174.2 | -59.9 | -71.4 | 0 | 0 | 0 | 113.1 | | |
| 113 | L | 41.9 | Very low | 42.8 | Very low | 180 Ų | 180 | 154 Ų | 154 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | | | trans | -93.3 | 107.2 | 164.6 | -140.1 | 80.5 | 0 | 0 | 0 | 109.1 | | |
| 114 | E | 43.2 | Very low | 42 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -74.6 | 139.7 | 177.2 | -73.8 | -165.1 | 127.2 | 0 | 0 | 112.9 | | |
| 115 | T | 33.1 | Very low | 42.2 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | | | trans | -35.3 | 134.2 | 162.6 | -42.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 116 | L | 37.1 | Very low | 41.9 | Very low | 153 Ų | 153 | 152 Ų | 152 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | | | | 156.2 | 119.2 | 128.5 | -84.2 | 164.6 | 0 | 0 | 0 | 112.6 | | |
| 117 | T | 41.4 | Very low | 41.6 | Very low | 144 Ų | 144 | 148.2 Ų | 148.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | | -174.3 | 104 | 129 | 18.3 | 0 | 0 | 0 | 0 | 114 | | |
| 118 | S | 35.6 | Very low | 41.3 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | 34.9 | 113.2 | 140.1 | -160.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 119 | P | 39.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | | | trans | -94.1 | 151.6 | 164.6 | 36.6 | -32.7 | 0 | 0 | 0 | 113.2 | | |
| 120 | R | 41.4 | Very low | 40.8 | Very low | 233 Ų | 233 | 151.4 Ų | 151.4 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | -160.5 | 144.5 | 168.4 | -116.8 | 169.2 | -171.6 | -175.3 | 2.7 | 115.4 | | |
| 121 | R | 43.4 | Very low | 40.9 | Very low | 221 Ų | 221 | 152.6 Ų | 152.6 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | | | trans | 75.7 | 114.4 | 176.5 | -55.5 | -179.4 | -177.7 | -99.8 | -0.2 | 113.9 | | |
| 122 | L | 47.9 | Very low | 40.5 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | | | | 74.9 | 125.1 | 59.2 | -64.9 | 165.6 | 0 | 0 | 0 | 112.2 | | |
| 123 | G | 38 | Very low | 40.8 | Very low | 68 Ų | 68 | 149.9 Ų | 149.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | cis | -163.1 | -170.1 | 5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 124 | P | 45.4 | Very low | 40.5 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | | | trans | -97.9 | 169.1 | -165.8 | 39.3 | -37.4 | 0 | 0 | 0 | 115.2 | | |
| 125 | P | 51.1 | Low | 40.5 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | | | | -133.3 | 139.7 | 105.5 | 35.6 | -25.5 | 0 | 0 | 0 | 112.5 | | |
| 126 | M | 45.9 | Very low | 40.9 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | | 67.2 | 102.4 | 68.1 | -73.2 | -73.2 | -85.3 | 0 | 0 | 114.4 | | |
| 127 | S | 35.5 | Very low | 41.4 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -88.3 | 149.5 | 169.3 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 128 | A | 38 | Very low | 41.6 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | | | | 166.7 | 144.7 | 126.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 129 | R | 39.9 | Very low | 42.1 | Very low | 228 Ų | 228 | 153.6 Ų | 153.6 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | 61 | 120.2 | 156.2 | -67.9 | 171.6 | 177.9 | -176.2 | -2.9 | 116.8 | | |
| 130 | L | 36.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | | | | 57.9 | 103.2 | 71.6 | -73.3 | 169.5 | 0 | 0 | 0 | 112.8 | | |
| 131 | D | 39.1 | Very low | 42.9 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | | -146.3 | 157.6 | 125.1 | -122.1 | -35.5 | 0 | 0 | 0 | 110.5 | | |
| 132 | A | 39.3 | Very low | 43.2 | Very low | 81 Ų | 81 | 146.6 Ų | 146.6 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | | | trans | -120.7 | 128.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 133 | L | 44 | Very low | 42.8 | Very low | 180 Ų | 180 | 142.3 Ų | 142.3 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | | | trans | -125.6 | 107 | 167.2 | -74.8 | 176.8 | 0 | 0 | 0 | 110.9 | | |
| 134 | S | 35.8 | Very low | 43.2 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | | | trans | -85.6 | 141.8 | 164.2 | -66.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 135 | I | 43 | Very low | 43.3 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 90% | 0.903 | 84% | 0.842 | S | S | * | * | | | trans | -145.7 | 136.7 | 146.8 | -97 | 138.4 | 0 | 0 | 0 | 107.9 | | |
| 136 | S | 42 | Very low | 43.2 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | | | trans | -90.4 | 154 | -172 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 137 | S | 47.6 | Very low | 43.3 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | | | trans | -137.1 | 156.7 | 141.7 | 71.6 | 0 | 0 | 0 | 0 | 111 | | |
| 138 | R | 45 | Very low | 43.7 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | | | trans | -103.1 | 143 | -165.5 | -59.7 | 172.2 | 176.5 | 176.1 | -1.7 | 112.2 | | |
| 139 | K | 46.3 | Very low | 44 | Very low | 209 Ų | 209 | 153.6 Ų | 153.6 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | | | trans | -152.9 | 140.5 | 139.5 | -116.9 | 166.8 | -175.5 | 174.7 | 0 | 111.5 | | |
| 140 | K | 45.1 | Very low | 44.3 | Very low | 211 Ų | 211 | 149.5 Ų | 149.5 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | | | trans | -112.6 | 126.7 | 177.4 | -71.9 | -175.8 | 176.9 | -177.3 | 0 | 109.6 | | |
| 141 | S | 53.5 | Low | 44.9 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | | | trans | -162.5 | 92.1 | 163.1 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 142 | S | 49.3 | Very low | 45.5 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | | 76.8 | 96.6 | 85.8 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 143 | G | 38.4 | Very low | 46 | Very low | 81 Ų | 81 | 154.6 Ų | 154.6 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -36.6 | 143 | -170.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 144 | L | 46.1 | Very low | 46.2 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -114.8 | 131.6 | 156.8 | -77 | 173.1 | 0 | 0 | 0 | 109.6 | S146 | L144-S146 PolarHBondContact O-N 2.98Š|
| 145 | K | 48.1 | Very low | 47.2 | Very low | 208 Ų | 208 | 151.2 Ų | 151.2 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | | | trans | -85.9 | 103.4 | 170.9 | -67.2 | 178.1 | 179.7 | 177.9 | 0 | 108.6 | K147 | K145-K147 PolarHBondContact O-N 3.03Å; K145-K147 VanDerWaalsContact O-N 3.1Å |
| 146 | S | 48.9 | Very low | 47.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -71.3 | 99.9 | 172.4 | 37.9 | 0 | 0 | 0 | 0 | 110.8 | L144 A148 | L144-S146 PolarHBondContact O-N 2.98Å; S146-A148 PolarHBondContact O-N 3.38Å |
| 147 | K | 48.4 | Very low | 47.7 | Very low | 198 Ų | 198 | 149 Ų | 149 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -67.6 | 119.1 | 157.3 | -85.2 | -174.3 | 172.8 | -177.3 | 0 | 108 | K145 E149 | K145-K147 PolarHBondContact O-N 3.03Å; K145-K147 VanDerWaalsContact O-N 3.1Å; K147-E149 VanDerWaalsContact C-N 3.32Å; K147-E149 PolarHBondContact O-N 3Å |
| 148 | A | 43.8 | Very low | 47.3 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | trans | -72.7 | 86.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | S146 L150 | S146-A148 PolarHBondContact O-N 3.38Å; A148-L150 PolarHBondContact O-N 3.03Å |
| 149 | E | 44 | Very low | 47.6 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 62% | 0.617 | 81% | 0.807 | S | S | * | * | | | trans | -81.8 | 88.9 | 174.8 | -163.4 | -178 | 144.9 | 0 | 0 | 109.9 | K147 R151 | K147-E149 VanDerWaalsContact C-N 3.32Å; K147-E149 PolarHBondContact O-N 3Å; E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 HydrophobicContact CG-CG 4.28Å; E149-R151 PolarHBondContact O-N 2.97Å; E149-R151 IonicContact OE1-CZ 3.3Å; E149-R151 IonicContact OE1-NE 2.73Å; E149-R151 PolarHBondContact OE1-NE 3.07Å; E149-R151 IonicContact OE1-NH2 3.39Å; E149-R151 PolarHBondContact OE1-NH2 3.21Å; E149-R151 IonicContact OE2-NH2 2.67Å |
| 150 | L | 45.8 | Very low | 48 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | | | trans | -67.5 | 80.9 | -179.1 | -103.5 | 163.7 | 0 | 0 | 0 | 112.2 | A148 F152 | A148-L150 PolarHBondContact O-N 3.03Å; L150-F152 HydrophobicContact CD2-CE2 4.11Å; L150-F152 PolarHBondContact O-N 2.95Å |
| 151 | R | 49.2 | Very low | 48.4 | Very low | 178 Ų | 178 | 142 Ų | 142 | 67% | 0.672 | 80% | 0.8 | S | S | * | * | | | trans | -80.4 | 91.4 | 174.8 | -68.9 | -170.1 | 177.3 | -176.2 | 3.7 | 111.5 | E149 H153 | E149-R151 VanDerWaalsContact C-N 3.31Å; E149-R151 HydrophobicContact CG-CG 4.28Å; E149-R151 PolarHBondContact O-N 2.97Å; E149-R151 IonicContact OE1-CZ 3.3Å; E149-R151 IonicContact OE1-NE 2.73Å; E149-R151 PolarHBondContact OE1-NE 3.07Å; E149-R151 IonicContact OE1-NH2 3.39Å; E149-R151 PolarHBondContact OE1-NH2 3.21Å; E149-R151 IonicContact OE2-NH2 2.67Å; R151-H153 PolarHBondContact O-N 3.15Å; R151-H153 VanDerWaalsContact O-N 3.11Å |
| 152 | F | 52.8 | Low | 48.7 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 77% | 0.768 | 80% | 0.799 | S | S | * | * | | | trans | -66.1 | 105.2 | 166.7 | -83.2 | -87.7 | 0 | 0 | 0 | 111 | L150 S154 | L150-F152 HydrophobicContact CD2-CE2 4.11Å; L150-F152 PolarHBondContact O-N 2.95Å; F152-S154 PolarHBondContact O-N 2.89Å; F152-S154 VanDerWaalsContact O-N 3.15Å |
| 153 | H | 49.6 | Very low | 48.8 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -80.2 | 82.3 | 167.5 | -79.5 | -82.7 | 0 | 0 | 0 | 110.5 | R151 | R151-H153 PolarHBondContact O-N 3.15Å; R151-H153 VanDerWaalsContact O-N 3.11Å |
| 154 | S | 47.5 | Very low | 49.3 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135 | 170.7 | -58.9 | 0 | 0 | 0 | 0 | 111 | F152 | F152-S154 PolarHBondContact O-N 2.89Å; F152-S154 VanDerWaalsContact O-N 3.15Å |
| 155 | P | 56.9 | Low | 49.7 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 150.6 | -180 | 28 | -34.7 | 0 | 0 | 0 | 112.3 | T157 | P155-T157 PolarHBondContact O-N 2.97Š|
| 156 | A | 43.2 | Very low | 49.9 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 119.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 157 | T | 52 | Low | 50.1 | Low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | | | trans | -128.7 | 116.2 | 158.7 | 40.9 | 0 | 0 | 0 | 0 | 109.5 | P155 L159 | P155-T157 PolarHBondContact O-N 2.97Å; T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.94Å |
| 158 | G | 39 | Very low | 50.8 | Low | 86 Ų | 86 | 137.4 Ų | 137.4 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | -81.2 | 50.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | R160 | G158-R160 PolarHBondContact O-N 2.9Š|
| 159 | L | 52.1 | Low | 51.5 | Low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | -91.6 | 89.5 | 177.2 | -82.5 | 167.7 | 0 | 0 | 0 | 112.7 | T157 I161 | T157-L159 VanDerWaalsContact C-N 3.34Å; T157-L159 PolarHBondContact O-N 2.94Å; L159-I161 PolarHBondContact O-N 3.03Å |
| 160 | R | 55.4 | Low | 52.6 | Low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | trans | -71.3 | 92.4 | 170 | -70 | -177.5 | 177 | 178.2 | -0.7 | 110.9 | G158 T162 | G158-R160 PolarHBondContact O-N 2.9Å; R160-T162 PolarHBondContact O-N 3.12Å; R160-T162 VanDerWaalsContact O-N 3.16Å |
| 161 | I | 53.5 | Low | 53.7 | Low | 153 Ų | 153 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -74.7 | 101 | 169.1 | -57.6 | 178.9 | 0 | 0 | 0 | 108.7 | L159 | L159-I161 PolarHBondContact O-N 3.03Š|
| 162 | T | 57.8 | Low | 54.5 | Low | 116 Ų | 116 | 137 Ų | 137 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | | | trans | -77.9 | 122.5 | 177.3 | 43 | 0 | 0 | 0 | 0 | 111.4 | R160 | R160-T162 PolarHBondContact O-N 3.12Å; R160-T162 VanDerWaalsContact O-N 3.16Å |
| 163 | S | 52 | Low | 55 | Low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | 36.8 | 107.9 | 163.7 | 61.5 | 0 | 0 | 0 | 0 | 117.5 | K165 | S163-K165 PolarHBondContact O-N 3.41Š|
| 164 | V | 49.1 | Very low | 55 | Low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -62.7 | 96 | 169.3 | -177.5 | 0 | 0 | 0 | 0 | 110 | | |
| 165 | K | 54.7 | Low | 55.1 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -74 | 126.8 | 172.6 | -151.5 | 168.6 | -171.1 | 173.7 | 0 | 108 | S163 V167 | S163-K165 PolarHBondContact O-N 3.41Å; K165-V167 PolarHBondContact O-N 3.16Å; K165-V167 VanDerWaalsContact O-N 3.08Å |
| 166 | A | 53.2 | Low | 54.7 | Low | 91 Ų | 91 | 137.3 Ų | 137.3 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -56.7 | 114.1 | -168 | 0 | 0 | 0 | 0 | 0 | 112.4 | T168 | A166-T168 PolarHBondContact O-N 2.98Å; A166-T168 VanDerWaalsContact O-N 3.13Å |
| 167 | V | 51.4 | Low | 54.6 | Low | 134 Ų | 134 | 142 Ų | 142 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -79.3 | 95 | 173.7 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | K165 S169 | K165-V167 PolarHBondContact O-N 3.16Å; K165-V167 VanDerWaalsContact O-N 3.08Å; V167-S169 PolarHBondContact O-N 3.22Å |
| 168 | T | 62.7 | Low | 54.1 | Low | 125 Ų | 125 | 147.1 Ų | 147.1 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 125.6 | 166.7 | 50.1 | 0 | 0 | 0 | 0 | 109.1 | A166 | A166-T168 PolarHBondContact O-N 2.98Å; A166-T168 VanDerWaalsContact O-N 3.13Å |
| 169 | S | 58.6 | Low | 54.2 | Low | 107 Ų | 107 | 151.2 Ų | 151.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.5 | -179.6 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | V167 K171 | V167-S169 PolarHBondContact O-N 3.22Å; S169-K171 PolarHBondContact O-N 3.09Å |
| 170 | P | 68.3 | Low | 53.7 | Low | 120 Ų | 120 | 149 Ų | 149 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64 | 131.5 | 175.6 | 26.7 | -33.3 | 0 | 0 | 0 | 109.7 | | |
| 171 | K | 69.2 | Low | 53 | Low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 127.4 | -179.6 | -151.8 | 169.7 | -171.1 | 172.9 | 0 | 109 | S169 F173 | S169-K171 PolarHBondContact O-N 3.09Å; K171-F173 PolarHBondContact O-N 2.84Å |
| 172 | P | 65.5 | Low | 52.3 | Low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.5 | -172.2 | 22.9 | -33.2 | 0 | 0 | 0 | 111.2 | N174 | P172-N174 PolarHBondContact O-N 3.08Š|
| 173 | F | 63.8 | Low | 51.5 | Low | 168 Ų | 168 | 152.7 Ų | 152.7 | 74% | 0.737 | 80% | 0.796 | S | S | * | * | | | trans | -74.3 | 109.6 | -179.9 | -164.6 | -86.7 | 0 | 0 | 0 | 109.6 | K171 F175 | K171-F173 PolarHBondContact O-N 2.84Å; F173-F175 HydrophobicContact CB-CE2 4.47Å; F173-F175 HydrophobicContact CD1-CD1 4.4Å; F173-F175 AromaticContact CD1-CD2 3.87Å; F173-F175 HydrophobicContact CD1-CD2 3.87Å; F173-F175 HydrophobicContact CD1-CE1 4.15Å; F173-F175 AromaticContact CD1-CE2 3.59Å; F173-F175 HydrophobicContact CD1-CE2 3.59Å; F173-F175 HydrophobicContact CD1-CG 4.27Å; F173-F175 AromaticContact CD1-CZ 3.74Å; F173-F175 HydrophobicContact CD1-CZ 3.74Å; F173-F175 HydrophobicContact CE1-CD1 4.41Å; F173-F175 HydrophobicContact CE1-CE1 4.07Å; F173-F175 HydrophobicContact CE1-CE2 4.31Å; F173-F175 HydrophobicContact CE1-CZ 4.02Å; F173-F175 HydrophobicContact CG-CE2 4.42Å; F173-F175 WeakPolarHBondContact O-CD2 3.47Å; F173-F175 PolarHBondContact O-N 3.4Å |
| 174 | N | 49.8 | Very low | 51.1 | Low | 140 Ų | 140 | 151.5 Ų | 151.5 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -83.1 | 87.6 | -166.5 | -151.7 | -1.8 | 0 | 0 | 0 | 111.1 | P172 S176 | P172-N174 PolarHBondContact O-N 3.08Å; N174-S176 PolarHBondContact O-N 3.06Å |
| 175 | F | 49.4 | Very low | 50.8 | Low | 181 Ų | 181 | 152.7 Ų | 152.7 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -68.2 | 73.9 | 173.1 | -75.1 | -80.6 | 0 | 0 | 0 | 110.9 | F173 | F173-F175 HydrophobicContact CB-CE2 4.47Å; F173-F175 HydrophobicContact CD1-CD1 4.4Å; F173-F175 AromaticContact CD1-CD2 3.87Å; F173-F175 HydrophobicContact CD1-CD2 3.87Å; F173-F175 HydrophobicContact CD1-CE1 4.15Å; F173-F175 AromaticContact CD1-CE2 3.59Å; F173-F175 HydrophobicContact CD1-CE2 3.59Å; F173-F175 HydrophobicContact CD1-CG 4.27Å; F173-F175 AromaticContact CD1-CZ 3.74Å; F173-F175 HydrophobicContact CD1-CZ 3.74Å; F173-F175 HydrophobicContact CE1-CD1 4.41Å; F173-F175 HydrophobicContact CE1-CE1 4.07Å; F173-F175 HydrophobicContact CE1-CE2 4.31Å; F173-F175 HydrophobicContact CE1-CZ 4.02Å; F173-F175 HydrophobicContact CG-CE2 4.42Å; F173-F175 WeakPolarHBondContact O-CD2 3.47Å; F173-F175 PolarHBondContact O-N 3.4Å |
| 176 | S | 47.9 | Very low | 50.3 | Low | 84 Ų | 84 | 152.1 Ų | 152.1 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | | | trans | -150.6 | 66.9 | -176.8 | -77.4 | 0 | 0 | 0 | 0 | 111.6 | N174 | N174-S176 PolarHBondContact O-N 3.06Š|
| 177 | K | 41.8 | Very low | 49.9 | Very low | 205 Ų | 205 | 154.5 Ų | 154.5 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -170.4 | 147.2 | 157.3 | -100.5 | 142.3 | -171.4 | 179.3 | 0 | 109.4 | | |
| 178 | R | 40.9 | Very low | 49.5 | Very low | 237 Ų | 237 | 153.7 Ų | 153.7 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 73.9 | 56.2 | 177.9 | -56.2 | -176.5 | 169.9 | -168.3 | -2.8 | 118.6 | | |
| 179 | L | 40.8 | Very low | 48.7 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | | | trans | -137.8 | 36.9 | 145.8 | -83.8 | -172.1 | 0 | 0 | 0 | 112.6 | R181 | L179-R181 PolarHBondContact O-N 3.16Š|
| 180 | S | 41.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | -79.6 | 70.2 | 168.6 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 181 | R | 40.3 | Very low | 46.6 | Very low | 232 Ų | 232 | 155 Ų | 155 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | trans | -147.3 | 52.4 | 167.9 | -78.6 | -160.4 | 172.2 | -161.2 | -3.6 | 110.1 | L179 | L179-R181 PolarHBondContact O-N 3.16Š|
| 182 | Q | 38.7 | Very low | 45.3 | Very low | 184 Ų | 184 | 154.6 Ų | 154.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -109.4 | 39.9 | 171 | -162.1 | 170.4 | -13.7 | 0 | 0 | 110.4 | | |
| 183 | E | 41.7 | Very low | 44.3 | Very low | 166 Ų | 166 | 157.8 Ų | 157.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -109.9 | 158.8 | 167.4 | -65.3 | 168.9 | 146.6 | 0 | 0 | 107.2 | | |
| 184 | S | 43 | Very low | 43.3 | Very low | 79 Ų | 79 | 153.6 Ų | 153.6 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 71.9 | 9.4 | 178.4 | 96.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 185 | F | 43.2 | Very low | 42.8 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -83.6 | -22.2 | 171.7 | -106.2 | -77.3 | 0 | 0 | 0 | 115 | | |
| 186 | E | 45.1 | Very low | 42.3 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -81.1 | -15.9 | 173.4 | -64 | -163.6 | 135.5 | 0 | 0 | 113.4 | | |
| 187 | Q | 45 | Very low | 42.1 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 66% | 0.659 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12 | -176.1 | -160.2 | 166.8 | 8.3 | 0 | 0 | 113.8 | T190 | Q187-T190 PolarHBondContact O-OG1 3.01Š|
| 188 | I | 43.2 | Very low | 42 | Very low | 118 Ų | 118 | 156.8 Ų | 156.8 | 61% | 0.605 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -13.6 | -178.5 | -62.2 | 175 | 0 | 0 | 0 | 111.8 | | |
| 189 | V | 45.1 | Very low | 41.8 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -19.8 | -179.7 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 190 | T | 39.9 | Very low | 41.6 | Very low | 107 Ų | 107 | 149 Ų | 149 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -89.4 | -17.5 | -179 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | Q187 K192 | Q187-T190 PolarHBondContact O-OG1 3.01Å; T190-K192 PolarHBondContact O-N 2.99Å |
| 191 | E | 43 | Very low | 41.2 | Very low | 158 Ų | 158 | 148 Ų | 148 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 13.4 | -174.5 | -152.4 | 169 | -142.2 | 0 | 0 | 114.6 | | |
| 192 | K | 41.5 | Very low | 41 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.5 | 32.5 | 176.7 | -72.4 | -161.2 | 171.9 | -169.5 | 0 | 115.2 | T190 | T190-K192 PolarHBondContact O-N 2.99Š|
| 193 | K | 44.3 | Very low | 40.9 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -129.3 | 8.1 | 172.7 | -73.3 | -172.2 | 174.9 | 178.8 | 0 | 115.1 | | |
| 194 | S | 42.3 | Very low | 40.6 | Very low | 79 Ų | 79 | 146 Ų | 146 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -96.5 | -13.1 | -179 | 44.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 195 | E | 39.7 | Very low | 40.6 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -103.2 | 18.2 | -168.9 | -155.7 | 166.2 | -157.6 | 0 | 0 | 114.4 | | |
| 196 | V | 40.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -118.5 | 1.1 | 179.5 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 197 | L | 43 | Very low | 40.1 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -120.2 | 21.2 | -171.4 | -86.9 | 165.9 | 0 | 0 | 0 | 115.1 | | |
| 198 | R | 38.9 | Very low | 39.9 | Very low | 226 Ų | 226 | 139.8 Ų | 139.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -130.7 | 0.4 | 179.3 | -69.8 | -175 | 177.9 | 152.8 | 0.5 | 116.1 | | |
| 199 | S | 36.8 | Very low | 39.7 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -108.1 | 5.4 | -171.5 | -50.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 200 | T | 37.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -133.4 | 32.8 | -168.7 | -24.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 201 | A | 33.9 | Very low | 39.3 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -146.4 | 41 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 202 | R | 35.9 | Very low | 39.2 | Very low | 256 Ų | 256 | 146.4 Ų | 146.4 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | | | trans | -155.1 | 49.1 | -179.3 | -122.4 | 172.2 | -168.5 | -173.6 | 1.6 | 116 | | |
| 203 | S | 35.7 | Very low | 39.3 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -155.1 | 85.2 | 164.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 204 | N | 35.5 | Very low | 39.2 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | | | trans | -177.5 | 92.3 | 165.2 | -98.2 | -26.1 | 0 | 0 | 0 | 108.7 | | |
| 205 | S | 44.1 | Very low | 39 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | trans | -146.1 | 81.3 | 177.3 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | G207 | S205-G207 PolarHBondContact O-N 3.05Š|
| 206 | T | 39.5 | Very low | 39.2 | Very low | 129 Ų | 129 | 148 Ų | 148 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | | | trans | 28.6 | 88.7 | 144.3 | 54.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 207 | G | 36.7 | Very low | 39.3 | Very low | 87 Ų | 87 | 145.6 Ų | 145.6 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | | | trans | -91 | 120.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S205 | S205-G207 PolarHBondContact O-N 3.05Š|
| 208 | T | 40.7 | Very low | 39.5 | Very low | 109 Ų | 109 | 146 Ų | 146 | 67% | 0.669 | 84% | 0.836 | S | S | * | * | | | trans | -119 | 154.6 | -167.6 | -41.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 209 | L | 39.6 | Very low | 40.1 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | 80.3 | 124.9 | 170.1 | -49.8 | 174.9 | 0 | 0 | 0 | 117.4 | | |
| 210 | G | 35.9 | Very low | 40.4 | Very low | 74 Ų | 74 | 143.5 Ų | 143.5 | 76% | 0.763 | 83% | 0.827 | S | S | * | * | | | trans | 126.8 | 28.8 | 131.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 211 | V | 40.9 | Very low | 40.5 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | | | trans | -107.9 | 94.4 | 171.2 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 212 | R | 40.3 | Very low | 41 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | 21.6 | 118.7 | 152 | -67.5 | -177.6 | 169.9 | -175.7 | -5.3 | 119.8 | | |
| 213 | Q | 43.8 | Very low | 41.5 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 167.8 | 161.1 | -163 | 168.4 | 3.3 | 0 | 0 | 112 | | |
| 214 | V | 43.2 | Very low | 42 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69 | 152 | -167.9 | 175.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 215 | Q | 37.1 | Very low | 42.5 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79 | 136.4 | 174.1 | -64.1 | 173.5 | -43.3 | 0 | 0 | 112.8 | | |
| 216 | T | 43.4 | Very low | 42.4 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -151.9 | 126.2 | 156.2 | -18.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 217 | G | 43.1 | Very low | 42.8 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | 78.3 | 68.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 218 | D | 47.8 | Very low | 43.1 | Very low | 163 Ų | 163 | 144 Ų | 144 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | | 66.9 | 172.7 | 123.2 | -116.1 | 14 | 0 | 0 | 0 | 120.7 | | |
| 219 | P | 50.8 | Low | 43.2 | Very low | 96 Ų | 96 | 146 Ų | 146 | 62% | 0.623 | 79% | 0.788 | S | S | * | * | | | | -139.1 | 176.4 | -117 | 42 | -22 | 0 | 0 | 0 | 117.2 | | |
| 220 | K | 44.1 | Very low | 43.3 | Very low | 189 Ų | 189 | 144 Ų | 144 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 178.4 | 136.9 | 135.7 | -100.7 | 151.5 | -172.4 | 168.5 | 0 | 114.9 | | |
| 221 | R | 39 | Very low | 43.6 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | trans | 61 | 147.2 | 149.8 | -69.1 | -175.7 | 171.8 | -172.5 | -3.3 | 119.1 | | |
| 222 | A | 42.8 | Very low | 43.7 | Very low | 76 Ų | 76 | 143.4 Ų | 143.4 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | | | cis | -165.6 | 171.3 | -17.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 223 | N | 48.1 | Very low | 43.9 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 70.1 | 80.3 | 158.1 | -57.2 | -6 | 0 | 0 | 0 | 119.9 | | |
| 224 | Q | 44.6 | Very low | 43.8 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | | 8.9 | 168.3 | 105.5 | -92.9 | -160 | 8.1 | 0 | 0 | 121.1 | | |
| 225 | P | 46.6 | Very low | 43.9 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 60% | 0.604 | 75% | 0.754 | S | S | * | * | | | cis | -144.9 | -176.8 | -17.2 | 37.1 | -17.4 | 0 | 0 | 0 | 117 | | |
| 226 | S | 42.6 | Very low | 44.2 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 76.9 | 164.6 | 148.4 | 82.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 227 | H | 48.7 | Very low | 44.2 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | | | cis | -151.1 | 170.3 | 4.6 | -140 | -84.1 | 0 | 0 | 0 | 106.1 | | |
| 228 | T | 42.7 | Very low | 44.1 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | | | cis | -161.5 | 132.9 | 16.5 | -44.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 229 | Q | 42.3 | Very low | 43.5 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | trans | 46.1 | 166.6 | 142.2 | -70.2 | 170.2 | -11.4 | 0 | 0 | 122.8 | | |
| 230 | H | 40.9 | Very low | 43 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | | | cis | -152.7 | 153.7 | -8.4 | -118.7 | -42.5 | 0 | 0 | 0 | 111.6 | | |
| 231 | N | 43.4 | Very low | 42.5 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | | | trans | 34.9 | 143.9 | 145.5 | -56.3 | -0.4 | 0 | 0 | 0 | 122.9 | | |
| 232 | G | 41.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 135 Ų | 135 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | | | cis | 160.2 | 171.8 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 233 | E | 45 | Very low | 41.8 | Very low | 198 Ų | 198 | 138 Ų | 138 | 93% | 0.925 | 72% | 0.721 | S | S | * | * | | | trans | 61 | 151.7 | 166.7 | -56.2 | -152.1 | 125.7 | 0 | 0 | 117.5 | | |
| 234 | A | 42.1 | Very low | 41.1 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 66% | 0.661 | 71% | 0.713 | S | S | * | * | | | cis | -160.8 | 170 | -8.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 235 | R | 44.4 | Very low | 40.4 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | | | cis | -159.4 | 157.4 | 3.9 | -123.8 | 166.4 | -170.3 | -165.5 | 5.1 | 108.7 | | |
| 236 | K | 45.3 | Very low | 39.6 | Very low | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | | | trans | 14.9 | 140.6 | 151 | -57.1 | 176.6 | -178.6 | -175.1 | 0 | 120.1 | | |
| 237 | G | 41.8 | Very low | 39 | Very low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | | | cis | -170.5 | 156.7 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 238 | T | 42.1 | Very low | 38.1 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | | | | 78.1 | 112 | 103.8 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 239 | K | 35.7 | Very low | 37.7 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | | 67.6 | 131.5 | 77.8 | -85 | -169.5 | 176.2 | -172.6 | 0 | 111.7 | | |
| 240 | L | 39.6 | Very low | 37 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | cis | -145 | 150 | 17.9 | -83.7 | 121.5 | 0 | 0 | 0 | 109.3 | | |
| 241 | E | 34.3 | Very low | 36.4 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | | | | 81.1 | 127.2 | 68.1 | -149.2 | -157 | 178.4 | 0 | 0 | 115.3 | | |
| 242 | K | 34 | Very low | 35.8 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | 67.4 | 159 | 166.1 | -73.9 | 154.6 | 174.6 | 151.5 | 0 | 116.9 | | |
| 243 | Q | 33.1 | Very low | 35.3 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | | | cis | -151.6 | 155 | -6 | -132.3 | 159.3 | -76.5 | 0 | 0 | 113.3 | | |
| 244 | Q | 32.4 | Very low | 34.8 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | 32.9 | 133.9 | 144.3 | -77.6 | 169.1 | -38.9 | 0 | 0 | 123.9 | | |
| 245 | N | 30.7 | Very low | 34.6 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | 50 | 128 | 130.9 | -52.3 | 2.3 | 0 | 0 | 0 | 121.1 | | |
| 246 | G | 28.5 | Very low | 34.1 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | | | trans | 170.6 | 85.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 247 | D | 31.6 | Very low | 33.5 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 27.8 | 120.2 | 154 | -82.5 | -72.4 | 0 | 0 | 0 | 124.4 | | |
| 248 | S | 28.6 | Very low | 32.9 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | | 56.6 | 91.5 | 114.8 | -53.1 | 0 | 0 | 0 | 0 | 120 | | |
| 249 | S | 34.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -130.8 | 136.2 | 146.2 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 250 | S | 28.3 | Very low | 32.3 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -105.9 | 132 | -168.4 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 251 | C | 28.8 | Very low | 31.8 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -121.7 | 132.1 | 162.1 | -91.5 | 0 | 0 | 0 | 0 | 110.8 | V253 | C251-V253 PolarHBondContact O-N 3.47Š|
| 252 | K | 30.7 | Very low | 31.6 | Very low | 193 Ų | 193 | 143.9 Ų | 143.9 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -90.2 | 103.1 | -166 | -65.1 | 169.9 | -177.8 | 169 | 0 | 111.3 | V254 | K252-V254 PolarHBondContact O-N 2.88Š|
| 253 | V | 31.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -82.7 | 112.7 | 168.1 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | C251 K255 | C251-V253 PolarHBondContact O-N 3.47Å; V253-K255 PolarHBondContact O-N 2.72Å |
| 254 | V | 33.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -77.3 | 112.8 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | K252 | K252-V254 PolarHBondContact O-N 2.88Š|
| 255 | K | 38.6 | Very low | 31.3 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 132.5 | 171.7 | -69.3 | -177.4 | 177.7 | 179.3 | 0 | 110.6 | V253 R257 | V253-K255 PolarHBondContact O-N 2.72Å; K255-R257 PolarHBondContact O-N 3.4Å |
| 256 | P | 33.9 | Very low | 31.2 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 119.8 | 173.4 | 27.3 | -33.2 | 0 | 0 | 0 | 110.3 | | |
| 257 | R | 32.3 | Very low | 31.5 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77 | 121.1 | 172.3 | -85.4 | -178.2 | 164.6 | 175.5 | -5 | 109.9 | K255 V259 | K255-R257 PolarHBondContact O-N 3.4Å; R257-V259 PolarHBondContact O-N 3.22Å; R257-V259 VanDerWaalsContact O-N 3.13Å |
| 258 | L | 29.2 | Very low | 31.6 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -70.9 | 102.7 | 171.4 | -161.6 | 85.3 | 0 | 0 | 0 | 109.4 | V260 | L258-V260 HydrophobicContact CD2-CG2 4.1Å; L258-V260 PolarHBondContact O-N 2.92Å |
| 259 | V | 32.9 | Very low | 31.8 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -80 | 86.8 | -180 | -176.6 | 0 | 0 | 0 | 0 | 110 | R257 R261 | R257-V259 PolarHBondContact O-N 3.22Å; R257-V259 VanDerWaalsContact O-N 3.13Å; V259-R261 HydrophobicContact CG1-CG 4.29Å; V259-R261 PolarHBondContact O-N 2.81Å |
| 260 | V | 32.3 | Very low | 32 | Very low | 112 Ų | 112 | 155 Ų | 155 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | | | trans | -72 | 107.7 | 167.1 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | L258 S262 | L258-V260 HydrophobicContact CD2-CG2 4.1Å; L258-V260 PolarHBondContact O-N 2.92Å; V260-S262 VanDerWaalsContact C-N 3.3Å; V260-S262 PolarHBondContact O-N 2.99Å |
| 261 | R | 28.4 | Very low | 32.2 | Very low | 234 Ų | 234 | 161.6 Ų | 161.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | -77.2 | 80.9 | 172.5 | -64.1 | 179.7 | 78.4 | 173.4 | 5.2 | 109.5 | V259 | V259-R261 HydrophobicContact CG1-CG 4.29Å; V259-R261 PolarHBondContact O-N 2.81Å |
| 262 | S | 30.4 | Very low | 32.4 | Very low | 104 Ų | 104 | 164.4 Ų | 164.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -61.4 | 135.5 | 160.6 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | V260 L264 | V260-S262 VanDerWaalsContact C-N 3.3Å; V260-S262 PolarHBondContact O-N 2.99Å; S262-L264 PolarHBondContact O-N 3.29Å |
| 263 | A | 29.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 162.1 Ų | 162.1 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -72 | 110.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 264 | L | 30.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 161.7 Ų | 161.7 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -78.2 | 123.4 | 174.6 | -166.2 | 71.8 | 0 | 0 | 0 | 108.7 | S262 D266 | S262-L264 PolarHBondContact O-N 3.29Å; L264-D266 PolarHBondContact O-N 2.94Å |
| 265 | A | 33.1 | Very low | 32.4 | Very low | 84 Ų | 84 | 164.7 Ų | 164.7 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | | | trans | -83.5 | 109.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y267 | A265-Y267 PolarHBondContact O-N 3.38Š|
| 266 | D | 29 | Very low | 32.4 | Very low | 138 Ų | 138 | 161.7 Ų | 161.7 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | -70.3 | 87.8 | 178.3 | -82.9 | -52.6 | 0 | 0 | 0 | 112 | L264 | L264-D266 PolarHBondContact O-N 2.94Š|
| 267 | Y | 34.8 | Very low | 32.4 | Very low | 223 Ų | 223 | 164.3 Ų | 164.3 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | -101.6 | 85.9 | 162.7 | -101.4 | -90.6 | 0 | 0 | 0 | 110.2 | A265 Q269 | A265-Y267 PolarHBondContact O-N 3.38Å; Y267-Q269 PolarHBondContact O-N 3.29Å |
| 268 | R | 34.8 | Very low | 32.6 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | trans | -68 | 113.6 | 172.9 | -80 | -169.1 | 172.1 | -149.7 | -1.1 | 110.6 | F270 | R268-F270 PolarHBondContact O-N 3.03Š|
| 269 | Q | 31.5 | Very low | 32.9 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -68.7 | 123.7 | 168 | -66.3 | 179 | -11.8 | 0 | 0 | 110.5 | Y267 | Y267-Q269 PolarHBondContact O-N 3.29Š|
| 270 | F | 39.1 | Very low | 32.9 | Very low | 184 Ų | 184 | 156.2 Ų | 156.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | -121.4 | 90.6 | 157.8 | -86.6 | -80.1 | 0 | 0 | 0 | 109 | R268 | R268-F270 PolarHBondContact O-N 3.03Š|
| 271 | R | 31.7 | Very low | 33.5 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | trans | -85.8 | 125.8 | 157.4 | -88.4 | -168.7 | 172 | -153.2 | -1.7 | 108.3 | | |
| 272 | K | 32.7 | Very low | 34 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -164.4 | 131 | 148.8 | -109.8 | 165.9 | -175.4 | -178.8 | 0 | 110.4 | | |
| 273 | N | 33.3 | Very low | 34.2 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | trans | 59.8 | 100 | 154.8 | -49 | -3.4 | 0 | 0 | 0 | 118 | | |
| 274 | C | 31.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 155.1 Ų | 155.1 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | | 172.7 | 106.6 | 127 | -95.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 275 | E | 30.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 155.9 Ų | 155.9 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 132.5 | 164 | -67.6 | -176.9 | 143.8 | 0 | 0 | 109.9 | | |
| 276 | P | 38.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 126.8 | 158.5 | 6.1 | 14.3 | 0 | 0 | 0 | 110.3 | | |
| 277 | K | 34.3 | Very low | 35.8 | Very low | 184 Ų | 184 | 155 Ų | 155 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 142.6 | 174.4 | -66.1 | 175.7 | 179.5 | 175.5 | 0 | 111 | T279 | K277-T279 PolarHBondContact O-N 2.7Š|
| 278 | P | 36 | Very low | 35.8 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -77.2 | 109.8 | 168.3 | 30.8 | -32 | 0 | 0 | 0 | 110.5 | | |
| 279 | T | 37.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -86.9 | 114 | 169.5 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | K277 | K277-T279 PolarHBondContact O-N 2.7Š|
| 280 | A | 33 | Very low | 36.2 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | trans | -74.1 | 141.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 281 | V | 45 | Very low | 36.4 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | | | trans | -125.3 | 117.4 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 282 | H | 37.7 | Very low | 36.6 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 83% | 0.833 | 82% | 0.819 | S | S | * | * | | | trans | -21.4 | 135.9 | 177.3 | -68.4 | -91.5 | 0 | 0 | 0 | 120 | | |
| 283 | S | 35.4 | Very low | 36.6 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | trans | -76.8 | 149.8 | 158.7 | 42 | 0 | 0 | 0 | 0 | 112.5 | | |
| 284 | S | 40.7 | Very low | 36.7 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | | | trans | -157.2 | 135.8 | 149.6 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 285 | N | 39.3 | Very low | 36.6 | Very low | 167 Ų | 167 | 136 Ų | 136 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | trans | 50.6 | 124.8 | 146.2 | -53.6 | -13.5 | 0 | 0 | 0 | 121.4 | | |
| 286 | G | 36.7 | Very low | 36.9 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 166.4 | 96.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 287 | S | 38.2 | Very low | 36.7 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -60.5 | 150.3 | 167.6 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 288 | G | 35.9 | Very low | 36.6 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | cis | 114.5 | 121.4 | 6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 289 | N | 40.1 | Very low | 36.5 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -168 | 148.2 | 151.6 | -104 | -30.4 | 0 | 0 | 0 | 111.6 | | |
| 290 | V | 33.4 | Very low | 36.4 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | | | trans | -122.7 | 128.2 | -176.9 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | L | 43.2 | Very low | 36.7 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | | | trans | -135.1 | 148.5 | 157.1 | -80.5 | 180 | 0 | 0 | 0 | 110.9 | | |
| 292 | K | 37.1 | Very low | 36.5 | Very low | 198 Ų | 198 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -114.3 | 153.4 | -175.3 | -63.2 | 174.9 | 179 | 174.6 | 0 | 110.1 | | |
| 293 | G | 31.9 | Very low | 36.4 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 112.4 | 152.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 294 | T | 35.7 | Very low | 36.5 | Very low | 149 Ų | 149 | 141 Ų | 141 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | | | cis | -152.7 | 156.8 | -4.7 | -31.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 295 | L | 30.1 | Very low | 36.1 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | | | trans | -75.4 | 125.1 | -179.4 | 177.8 | 85.5 | 0 | 0 | 0 | 112.8 | | |
| 296 | R | 36.3 | Very low | 36 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | | | | 174.1 | 152.6 | 125.1 | -99.9 | 179.1 | -173.9 | -116.2 | 5.9 | 115.2 | | |
| 297 | Q | 33.2 | Very low | 35.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | 21.1 | 133.8 | 140.7 | -65.3 | 171.7 | -48 | 0 | 0 | 119.2 | | |
| 298 | A | 32.1 | Very low | 35.7 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | cis | -151 | -134.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 299 | E | 34.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | cis | -152.2 | 179.1 | 20.9 | -126.5 | -57.1 | 82.8 | 0 | 0 | 112.4 | | |
| 300 | Q | 34.9 | Very low | 35.2 | Very low | 151 Ų | 151 | 144 Ų | 144 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -44.1 | 145.6 | 178.8 | -69.9 | 168.6 | 71 | 0 | 0 | 117.4 | | |
| 301 | S | 40 | Very low | 35.3 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | | -173.5 | 141.8 | 78.2 | 46.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 302 | K | 39.3 | Very low | 34.9 | Very low | 206 Ų | 206 | 143.3 Ų | 143.3 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | 57 | 82.6 | 142.4 | -62.4 | 169.5 | -174.9 | 169 | 0 | 119.8 | | |
| 303 | G | 36.3 | Very low | 35.1 | Very low | 81 Ų | 81 | 141.5 Ų | 141.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -123.1 | 120.3 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 304 | R | 38 | Very low | 35.3 | Very low | 258 Ų | 258 | 143.6 Ų | 143.6 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -92.3 | 141.4 | -168.4 | -138.3 | -179 | -170.2 | -162.6 | 3.6 | 112.9 | | |
| 305 | S | 31.9 | Very low | 35.3 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -83.3 | 153.4 | -170.7 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 306 | R | 37.3 | Very low | 35.6 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | | | trans | -165.6 | 86.1 | 142 | -112 | 176.2 | -172.4 | -168.3 | 2.1 | 112.2 | | |
| 307 | G | 29.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -79 | 145 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 308 | V | 38.5 | Very low | 35.8 | Very low | 133 Ų | 133 | 148 Ų | 148 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -132.2 | 125.2 | 170.3 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 309 | S | 33.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -79.9 | 164.2 | -174.7 | 47.3 | 0 | 0 | 0 | 0 | 113 | | |
| 310 | S | 32.1 | Very low | 36.2 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | | | trans | -58.2 | 134.7 | 173 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 311 | Q | 35.9 | Very low | 36.2 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -130.6 | 130.1 | 148.3 | -74 | -164 | -12 | 0 | 0 | 109.6 | | |
| 312 | A | 34.7 | Very low | 36.2 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 131.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 313 | L | 39.9 | Very low | 36.3 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 142.3 | 175.8 | -70.7 | 173.4 | 0 | 0 | 0 | 111.1 | | |
| 314 | P | 37.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 155.5 | -173.8 | 29.9 | -35.9 | 0 | 0 | 0 | 113.2 | V316 | P314-V316 PolarHBondContact O-N 2.8Š|
| 315 | R | 34.4 | Very low | 36.8 | Very low | 244 Ų | 244 | 150.8 Ų | 150.8 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 119 | 171.3 | -73.7 | 178.3 | 171.6 | 168.9 | -2.7 | 110.4 | T317 | R315-T317 PolarHBondContact O-N 3.19Š|
| 316 | V | 36.8 | Very low | 37.4 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | | | trans | -86.6 | 98.7 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | P314 R318 | P314-V316 PolarHBondContact O-N 2.8Å; V316-R318 PolarHBondContact O-N 3.2Å |
| 317 | T | 37.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 149 Ų | 149 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -75.9 | 101 | 162.5 | 38.6 | 0 | 0 | 0 | 0 | 109.3 | R315 A319 | R315-T317 PolarHBondContact O-N 3.19Å; T317-A319 PolarHBondContact O-N 2.77Å |
| 318 | R | 37.7 | Very low | 39.6 | Very low | 239 Ų | 239 | 150.9 Ų | 150.9 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -85.5 | 110.2 | 176.4 | -158.8 | 173.6 | -165.2 | 167.3 | 5 | 109.7 | V316 | V316-R318 PolarHBondContact O-N 3.2Š|
| 319 | A | 39.5 | Very low | 40.7 | Very low | 91 Ų | 91 | 150.4 Ų | 150.4 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -66.5 | 163.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T317 | T317-A319 PolarHBondContact O-N 2.77Š|
| 320 | E | 35.9 | Very low | 41.6 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | | | trans | -63.8 | 134.1 | 178 | -56.9 | 169.3 | 120.7 | 0 | 0 | 111.7 | | |
| 321 | N | 33.7 | Very low | 43.1 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | -171.3 | 171.5 | 137.2 | -118.9 | -78.6 | 0 | 0 | 0 | 113.6 | | |
| 322 | L | 39.6 | Very low | 43.4 | Very low | 135 Ų | 135 | 153.3 Ų | 153.3 | 71% | 0.707 | 83% | 0.825 | S | S | * | * | | | trans | 77.2 | 109.9 | 167.5 | -63.3 | 170.6 | 0 | 0 | 0 | 119.8 | | |
| 323 | R | 42.6 | Very low | 44.1 | Very low | 218 Ų | 218 | 152.4 Ų | 152.4 | 82% | 0.823 | 83% | 0.825 | S | S | * | * | | | trans | 80.6 | 99.5 | 134.9 | -66.3 | 179.6 | 176.6 | -174.5 | -1.8 | 119.2 | | |
| 324 | N | 40 | Very low | 44.1 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | -40.5 | 131.9 | 143.6 | -55.1 | -29.7 | 0 | 0 | 0 | 111.5 | | |
| 325 | V | 44.5 | Very low | 44.3 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | | | trans | -133.3 | 140.4 | 163.2 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 326 | S | 44.4 | Very low | 44.9 | Very low | 110 Ų | 110 | 149 Ų | 149 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 161.7 | -169.1 | 39.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 327 | K | 54.7 | Low | 45.4 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 142.3 | 171.1 | -60.5 | 173.6 | -178.2 | 173.6 | 0 | 110.5 | | |
| 328 | P | 58.7 | Low | 46 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75 | 150.2 | 162.6 | 32.6 | -33.8 | 0 | 0 | 0 | 111.2 | | |
| 329 | P | 62.1 | Low | 46.5 | Very low | 124 Ų | 124 | 148 Ų | 148 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 168.1 | 173.8 | 34.1 | -35.3 | 0 | 0 | 0 | 112.8 | | |
| 330 | L | 51.4 | Low | 46.8 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 152.8 | 171.6 | -71.1 | 167.2 | 0 | 0 | 0 | 111.1 | | |
| 331 | P | 64.2 | Low | 47.6 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 126.4 | 175 | 34.1 | -30.9 | 0 | 0 | 0 | 112.5 | | |
| 332 | D | 41.7 | Very low | 48.5 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 143.9 | 162.2 | -77.2 | -49.6 | 0 | 0 | 0 | 110.8 | | |
| 333 | G | 48.2 | Very low | 48.6 | Very low | 81 Ų | 81 | 148.9 Ų | 148.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -152.4 | 130.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 334 | S | 41.3 | Very low | 48.8 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -118.2 | 166.9 | -159.8 | 69.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 335 | A | 42.1 | Very low | 49.2 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | 67 | 111.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 336 | R | 46.4 | Very low | 49.5 | Very low | 237 Ų | 237 | 139.4 Ų | 139.4 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | | | | -172.4 | 112.8 | 122.7 | -97 | 156.8 | -172.7 | -143.6 | 0.8 | 108 | | |
| 337 | Q | 46.8 | Very low | 49.3 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 73% | 0.729 | 81% | 0.807 | S | S | * | * | | | | 83 | 106.7 | 58.5 | -164.9 | -145.8 | 33.1 | 0 | 0 | 113.3 | | |
| 338 | K | 49.4 | Very low | 49 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 67% | 0.665 | 81% | 0.811 | S | S | * | * | | | | 153 | 126.2 | 128.3 | -84.1 | -178.6 | 179.4 | -170.4 | 0 | 114.7 | | |
| 339 | Q | 49.5 | Very low | 48.7 | Very low | 172 Ų | 172 | 142 Ų | 142 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 58.5 | 150.3 | 139.2 | -62.6 | 169.8 | -74.8 | 0 | 0 | 121 | | |
| 340 | A | 46.5 | Very low | 48.5 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 63% | 0.628 | 81% | 0.808 | S | S | * | * | | | cis | -171.1 | 154.6 | -23.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 341 | T | 52 | Low | 48.5 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | | | trans | 36.5 | 139.4 | 148.4 | 55.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 342 | K | 52.1 | Low | 47.7 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | cis | -168.8 | 177 | 29.6 | -129.8 | 166.7 | -176.4 | -177.5 | 0 | 110.5 | | |
| 343 | E | 42.7 | Very low | 48 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -93.9 | 156.7 | -173 | -56.9 | 151.9 | 120.1 | 0 | 0 | 114.6 | | |
| 344 | A | 45.8 | Very low | 47.9 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -158 | 139.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 345 | V | 47.8 | Very low | 47.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | | | trans | -108.7 | 138.5 | -178.7 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 346 | G | 50.9 | Low | 48.4 | Very low | 74 Ų | 74 | 145.9 Ų | 145.9 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | -168.5 | 122.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 347 | C | 40.4 | Very low | 48.5 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -100 | 127.7 | -169.2 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 348 | R | 48.4 | Very low | 48.5 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | | | trans | -171.1 | 120.5 | 147 | -115.1 | 174.9 | -178.9 | -174.8 | 0.5 | 114.2 | | |
| 349 | P | 53.8 | Low | 48.9 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | trans | -114.3 | -174.2 | 162.1 | 42.7 | -32.3 | 0 | 0 | 0 | 110.6 | | |
| 350 | P | 57.6 | Low | 49 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | | | | -131.6 | 159.9 | -69 | 38.5 | -24.2 | 0 | 0 | 0 | 113.1 | | |
| 351 | M | 51 | Low | 49.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | -137.7 | 109.9 | 167.8 | -89.1 | -172.8 | 66.1 | 0 | 0 | 114.9 | | |
| 352 | A | 48.4 | Very low | 49.5 | Very low | 74 Ų | 74 | 145.9 Ų | 145.9 | 61% | 0.612 | 83% | 0.825 | S | S | * | * | | | | 48.7 | 125.1 | 130 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 353 | K | 47.4 | Very low | 49.2 | Very low | 206 Ų | 206 | 148 Ų | 148 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | | | trans | 69.2 | 126.4 | 149.2 | -55.7 | 160.3 | -174.5 | 177.1 | 0 | 115.7 | | |
| 354 | S | 44.6 | Very low | 49.3 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | | | | -156.1 | 169.3 | 58.2 | -162.4 | 0 | 0 | 0 | 0 | 114 | | |
| 355 | T | 43 | Very low | 49.3 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | | | trans | -86.6 | 134.9 | -176.7 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 356 | S | 52.5 | Low | 49.2 | Very low | 117 Ų | 117 | 144 Ų | 144 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -124.3 | 115.4 | 165.4 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | R358 | S356-R358 PolarHBondContact O-N 3.42Š|
| 357 | S | 47.8 | Very low | 49.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -81.5 | 100 | -178.9 | 39.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 358 | R | 47.6 | Very low | 49.8 | Very low | 235 Ų | 235 | 146 Ų | 146 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -72 | 129.5 | 167.8 | -89 | -172.7 | 167.6 | -170.5 | -2.8 | 110.4 | S356 | S356-R358 PolarHBondContact O-N 3.42Š|
| 359 | P | 57.4 | Low | 49.9 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -68.4 | 136.9 | 179.9 | 27.4 | -34.4 | 0 | 0 | 0 | 111.4 | K361 | P359-K361 PolarHBondContact O-N 2.96Å; P359-K361 VanDerWaalsContact O-N 3.13Å |
| 360 | T | 52.2 | Low | 50.2 | Low | 139 Ų | 139 | 143.8 Ų | 143.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | trans | -63.5 | 110.6 | 170.7 | 41.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 361 | K | 53.7 | Low | 50.8 | Low | 193 Ų | 193 | 146.9 Ų | 146.9 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -55.8 | 134.3 | 169.4 | -69.4 | -174.6 | 176.5 | -175.8 | 0 | 109.5 | P359 R363 | P359-K361 PolarHBondContact O-N 2.96Å; P359-K361 VanDerWaalsContact O-N 3.13Å; K361-R363 PolarHBondContact O-N 3.49Å |
| 362 | P | 54.5 | Low | 51.2 | Low | 114 Ų | 114 | 143.3 Ų | 143.3 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -61.2 | 133.6 | 171.7 | 26.7 | -33.5 | 0 | 0 | 0 | 109.2 | C364 | P362-C364 PolarHBondContact O-N 2.92Š|
| 363 | R | 45.9 | Very low | 51.6 | Low | 239 Ų | 239 | 146.8 Ų | 146.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -68.5 | 105.5 | 171.1 | -81.3 | -179.5 | 168.7 | 166.2 | -3.8 | 108.4 | K361 V365 | K361-R363 PolarHBondContact O-N 3.49Å; R363-V365 PolarHBondContact O-N 3.1Å |
| 364 | C | 44.7 | Very low | 51.9 | Low | 121 Ų | 121 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -59.6 | 106.6 | 168.3 | -59 | 0 | 0 | 0 | 0 | 108.9 | P362 S366 | P362-C364 PolarHBondContact O-N 2.92Å; C364-S366 PolarHBondContact O-N 2.67Å |
| 365 | V | 46.6 | Very low | 52.4 | Low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 96.6 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | R363 V367 | R363-V365 PolarHBondContact O-N 3.1Å; V365-V367 PolarHBondContact O-N 2.95Å |
| 366 | S | 45.8 | Very low | 53.3 | Low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -67.7 | 97 | 173.6 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | C364 T368 | C364-S366 PolarHBondContact O-N 2.67Å; S366-T368 PolarHBondContact O-N 3.3Å |
| 367 | V | 48.9 | Very low | 54.2 | Low | 121 Ų | 121 | 140.3 Ų | 140.3 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | trans | -68.6 | 97.5 | 172 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V365 Q369 | V365-V367 PolarHBondContact O-N 2.95Å; V367-Q369 PolarHBondContact O-N 3.2Å; V367-Q369 VanDerWaalsContact O-N 3.09Å |
| 368 | T | 53.7 | Low | 55.5 | Low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -61.3 | 111.4 | 165.9 | 32.9 | 0 | 0 | 0 | 0 | 108.3 | S366 V370 | S366-T368 PolarHBondContact O-N 3.3Å; T368-V370 VanDerWaalsContact C-N 3.3Å; T368-V370 PolarHBondContact O-N 2.84Å |
| 369 | Q | 51.7 | Low | 57.3 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | | | trans | -64.8 | 94 | 171.1 | -70.1 | -175.5 | -4.6 | 0 | 0 | 108.7 | V367 K371 | V367-Q369 PolarHBondContact O-N 3.2Å; V367-Q369 VanDerWaalsContact O-N 3.09Å; Q369-K371 PolarHBondContact O-N 2.77Å |
| 370 | V | 59.1 | Low | 58.5 | Low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | | | trans | -62.7 | 111.1 | 168.2 | 179.6 | 0 | 0 | 0 | 0 | 106.4 | T368 | T368-V370 VanDerWaalsContact C-N 3.3Å; T368-V370 PolarHBondContact O-N 2.84Å |
| 371 | K | 69.5 | Low | 60.2 | Low | 182 Ų | 182 | 137.8 Ų | 137.8 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | | | trans | -49.7 | 126.5 | 176.1 | -176.1 | 178.4 | -177.2 | 179.3 | 0 | 108 | Q369 F373 | Q369-K371 PolarHBondContact O-N 2.77Å; K371-F373 PolarHBondContact O-N 3.07Å |
| 372 | P | 61.2 | Low | 61.9 | Low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | | | trans | -57 | 119.1 | -177.6 | 22.3 | -32.8 | 0 | 0 | 0 | 108.5 | T374 | P372-T374 PolarHBondContact O-N 3.48Š|
| 373 | F | 55.5 | Low | 63.6 | Low | 148 Ų | 148 | 136.1 Ų | 136.1 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | | | trans | -64.8 | 104.3 | 171.3 | 147.6 | -121.5 | 0 | 0 | 0 | 106.5 | K371 F375 | K371-F373 PolarHBondContact O-N 3.07Å; F373-F375 HydrophobicContact CD1-CD2 4.21Å; F373-F375 HydrophobicContact CE1-CB 4.08Å; F373-F375 HydrophobicContact CE1-CD1 4.27Å; F373-F375 AromaticContact CE1-CD2 3.23Å; F373-F375 HydrophobicContact CE1-CD2 3.23Å; F373-F375 AromaticContact CE1-CE2 3.57Å; F373-F375 HydrophobicContact CE1-CE2 3.57Å; F373-F375 AromaticContact CE1-CG 3.61Å; F373-F375 HydrophobicContact CE1-CG 3.61Å; F373-F375 HydrophobicContact CE1-CZ 4.2Å; F373-F375 HydrophobicContact CE2-CB 4.36Å; F373-F375 HydrophobicContact CE2-CD1 4.47Å; F373-F375 HydrophobicContact CE2-CG 4.27Å; F373-F375 HydrophobicContact CZ-CB 3.92Å; F373-F375 AromaticContact CZ-CD1 3.67Å; F373-F375 HydrophobicContact CZ-CD1 3.67Å; F373-F375 AromaticContact CZ-CD2 3.54Å; F373-F375 HydrophobicContact CZ-CD2 3.54Å; F373-F375 AromaticContact CZ-CE1 3.96Å; F373-F375 HydrophobicContact CZ-CE1 3.96Å; F373-F375 AromaticContact CZ-CE2 3.85Å; F373-F375 HydrophobicContact CZ-CE2 3.85Å; F373-F375 AromaticContact CZ-CG 3.42Å; F373-F375 HydrophobicContact CZ-CG 3.42Å; F373-F375 VanDerWaalsContact CZ-CG 3.42Å; F373-F375 HydrophobicContact CZ-CZ 4.04Å; F373-F375 PolarHBondContact O-N 3.46Å |
| 374 | T | 54.1 | Low | 65.6 | Low | 130 Ų | 130 | 131.4 Ų | 131.4 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | | | trans | -64.8 | 92.2 | 166.9 | 50.1 | 0 | 0 | 0 | 0 | 106.7 | P372 E376 | P372-T374 PolarHBondContact O-N 3.48Å; T374-E376 PolarHBondContact O-N 3.48Å |
| 375 | F | 54.9 | Low | 67.8 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 55% | 0.553 | 65% | 0.653 | S | S | * | * | | | trans | -53.7 | 139.3 | 170.8 | -140.8 | -49.4 | 0 | 0 | 0 | 107.2 | F373 T377 | F373-F375 HydrophobicContact CD1-CD2 4.21Å; F373-F375 HydrophobicContact CE1-CB 4.08Å; F373-F375 HydrophobicContact CE1-CD1 4.27Å; F373-F375 AromaticContact CE1-CD2 3.23Å; F373-F375 HydrophobicContact CE1-CD2 3.23Å; F373-F375 AromaticContact CE1-CE2 3.57Å; F373-F375 HydrophobicContact CE1-CE2 3.57Å; F373-F375 AromaticContact CE1-CG 3.61Å; F373-F375 HydrophobicContact CE1-CG 3.61Å; F373-F375 HydrophobicContact CE1-CZ 4.2Å; F373-F375 HydrophobicContact CE2-CB 4.36Å; F373-F375 HydrophobicContact CE2-CD1 4.47Å; F373-F375 HydrophobicContact CE2-CG 4.27Å; F373-F375 HydrophobicContact CZ-CB 3.92Å; F373-F375 AromaticContact CZ-CD1 3.67Å; F373-F375 HydrophobicContact CZ-CD1 3.67Å; F373-F375 AromaticContact CZ-CD2 3.54Å; F373-F375 HydrophobicContact CZ-CD2 3.54Å; F373-F375 AromaticContact CZ-CE1 3.96Å; F373-F375 HydrophobicContact CZ-CE1 3.96Å; F373-F375 AromaticContact CZ-CE2 3.85Å; F373-F375 HydrophobicContact CZ-CE2 3.85Å; F373-F375 AromaticContact CZ-CG 3.42Å; F373-F375 HydrophobicContact CZ-CG 3.42Å; F373-F375 VanDerWaalsContact CZ-CG 3.42Å; F373-F375 HydrophobicContact CZ-CZ 4.04Å; F373-F375 PolarHBondContact O-N 3.46Å; F375-T377 HydrophobicContact CB-CG2 3.84Å; F375-T377 HydrophobicContact CD1-CG2 4.02Å; F375-T377 HydrophobicContact CG-CG2 3.87Å; F375-T377 PolarHBondContact O-N 2.73Å; F375-T377 PolarHBondContact O-OG1 3.35Å |
| 376 | E | 62.5 | Low | 70 | Confident | 120 Ų | 120 | 130.3 Ų | 130.3 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 31.4 | 173.2 | -153.1 | -177.9 | 134.3 | 0 | 0 | 111.7 | T374 D378 K379 R380 R383 | T374-E376 PolarHBondContact O-N 3.48Å; E376-D378 VanDerWaalsContact C-N 3.35Å; E376-K379 HydrophobicContact CG-CB 4.26Å; E376-R380 WeakPolarHBondContact O-CB 3.49Å; E376-R380 PolarHBondContact O-N 2.72Å; E376-R383 IonicContact OE1-CZ 3.76Å; E376-R383 IonicContact OE1-NH2 2.72Å; E376-R383 PolarHBondContact OE1-NH2 2.99Å |
| 377 | T | 70.6 | Confident | 72 | Confident | 68 Ų | 68 | 127.5 Ų | 127.5 | 42% | 0.417 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.3 | -45.6 | 178 | 36.5 | 0 | 0 | 0 | 0 | 110.9 | F375 R380 H381 | F375-T377 HydrophobicContact CB-CG2 3.84Å; F375-T377 HydrophobicContact CD1-CG2 4.02Å; F375-T377 HydrophobicContact CG-CG2 3.87Å; F375-T377 PolarHBondContact O-N 2.73Å; F375-T377 PolarHBondContact O-OG1 3.35Å; T377-R380 CarbonylContact O-C 3.48Å; T377-R380 WeakPolarHBondContact O-CA 3.26Å; T377-R380 PolarHBondContact O-N 3.06Å; T377-H381 VanDerWaalsContact O-CB 3.26Å; T377-H381 WeakPolarHBondContact O-CB 3.47Å; T377-H381 PolarHBondContact O-N 3.38Å |
| 378 | D | 75.1 | Confident | 73.9 | Confident | 122 Ų | 122 | 126.5 Ų | 126.5 | 65% | 0.652 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.6 | -50.6 | -164.1 | -52.5 | 1.5 | 0 | 0 | 0 | 109.2 | E376 R380 H381 E382 | E376-D378 VanDerWaalsContact C-N 3.35Å; D378-R380 PolarHBondContact O-N 3.41Å; D378-H381 PolarHBondContact O-N 2.95Å; D378-E382 VanDerWaalsContact O-CB 3.24Å; D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 PolarHBondContact O-N 3.16Å |
| 379 | K | 84.7 | Confident | 75.6 | Confident | 135 Ų | 135 | 127.5 Ų | 127.5 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.4 | -19.1 | 170.1 | -69.8 | -170.9 | 175.1 | -173.5 | 0 | 114.1 | E376 R383 | E376-K379 HydrophobicContact CG-CB 4.26Å; K379-R383 WeakPolarHBondContact O-CB 3.14Å; K379-R383 WeakPolarHBondContact O-CG 3.37Å; K379-R383 PolarHBondContact O-N 2.97Å; K379-R383 PolarHBondContact O-NE 3.01Å; K379-R383 PolarHBondContact O-NH2 2.78Å |
| 380 | R | 84 | Confident | 77.2 | Confident | 186 Ų | 186 | 124.8 Ų | 124.8 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -88.2 | -32.7 | 175.5 | -169.1 | 176.6 | -171.3 | -166.2 | 2.4 | 111.8 | E376 T377 D378 Y384 | E376-R380 WeakPolarHBondContact O-CB 3.49Å; E376-R380 PolarHBondContact O-N 2.72Å; T377-R380 CarbonylContact O-C 3.48Å; T377-R380 WeakPolarHBondContact O-CA 3.26Å; T377-R380 PolarHBondContact O-N 3.06Å; D378-R380 PolarHBondContact O-N 3.41Å; R380-Y384 WeakPolarHBondContact O-CB 3.45Å; R380-Y384 PolarHBondContact O-N 2.86Å |
| 381 | H | 88.4 | Confident | 78.1 | Confident | 114 Ų | 114 | 125.2 Ų | 125.2 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.2 | -44.5 | 174.1 | -176.2 | 53.8 | 0 | 0 | 0 | 110.5 | T377 D378 R383 Y384 L385 | T377-H381 VanDerWaalsContact O-CB 3.26Å; T377-H381 WeakPolarHBondContact O-CB 3.47Å; T377-H381 PolarHBondContact O-N 3.38Å; D378-H381 PolarHBondContact O-N 2.95Å; H381-R383 PolarHBondContact O-N 2.85Å; H381-Y384 CarbonylContact O-C 3.57Å; H381-Y384 WeakPolarHBondContact O-CA 3.37Å; H381-Y384 WeakPolarHBondContact O-CB 3.49Å; H381-Y384 PolarHBondContact O-N 3.16Å; H381-L385 WeakPolarHBondContact O-CB 3.35Å; H381-L385 WeakPolarHBondContact O-CG 3.24Å; H381-L385 PolarHBondContact O-N 3.44Å |
| 382 | E | 87.7 | Confident | 78.5 | Confident | 128 Ų | 128 | 120.7 Ų | 120.7 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.1 | -46.3 | 171.2 | -174.5 | 179.5 | -122.7 | 0 | 0 | 111.7 | D378 Y384 L385 K386 | D378-E382 VanDerWaalsContact O-CB 3.24Å; D378-E382 WeakPolarHBondContact O-CB 3.45Å; D378-E382 PolarHBondContact O-N 3.16Å; E382-Y384 PolarHBondContact O-N 3.48Å; E382-L385 PolarHBondContact O-N 3.19Å; E382-K386 WeakPolarHBondContact O-CB 3.37Å; E382-K386 PolarHBondContact O-N 3.47Å |
| 383 | R | 90.1 | Very high | 79 | Confident | 144 Ų | 144 | 118.4 Ų | 118.4 | 54% | 0.543 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.5 | -36.5 | 171.5 | -82.8 | 179.2 | -75.8 | -168.9 | -4.4 | 113.2 | E376 K379 H381 A387 | E376-R383 IonicContact OE1-CZ 3.76Å; E376-R383 IonicContact OE1-NH2 2.72Å; E376-R383 PolarHBondContact OE1-NH2 2.99Å; K379-R383 WeakPolarHBondContact O-CB 3.14Å; K379-R383 WeakPolarHBondContact O-CG 3.37Å; K379-R383 PolarHBondContact O-N 2.97Å; K379-R383 PolarHBondContact O-NE 3.01Å; K379-R383 PolarHBondContact O-NH2 2.78Å; H381-R383 PolarHBondContact O-N 2.85Å; R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 3Å |
| 384 | Y | 88 | Confident | 78.9 | Confident | 140 Ų | 140 | 114.1 Ų | 114.1 | 55% | 0.549 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.2 | -43.4 | 177.4 | 172.4 | -94.2 | 0 | 0 | 0 | 112.4 | R380 H381 E382 A387 K388 | R380-Y384 WeakPolarHBondContact O-CB 3.45Å; R380-Y384 PolarHBondContact O-N 2.86Å; H381-Y384 CarbonylContact O-C 3.57Å; H381-Y384 WeakPolarHBondContact O-CA 3.37Å; H381-Y384 WeakPolarHBondContact O-CB 3.49Å; H381-Y384 PolarHBondContact O-N 3.16Å; E382-Y384 PolarHBondContact O-N 3.48Å; Y384-A387 PolarHBondContact O-N 2.94Å; Y384-K388 HydrophobicContact CE1-CG 4.16Å; Y384-K388 HydrophobicContact CE2-CG 4.34Å; Y384-K388 PolarHBondContact O-N 3.26Å |
| 385 | L | 92.4 | Very high | 78.7 | Confident | 88 Ų | 88 | 117.4 Ų | 117.4 | 46% | 0.461 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.2 | -48.5 | 175 | -71.9 | 175.9 | 0 | 0 | 0 | 110.1 | H381 E382 A387 K388 E389 | H381-L385 WeakPolarHBondContact O-CB 3.35Å; H381-L385 WeakPolarHBondContact O-CG 3.24Å; H381-L385 PolarHBondContact O-N 3.44Å; E382-L385 PolarHBondContact O-N 3.19Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.23Å; L385-K388 CarbonylContact O-C 3.56Å; L385-K388 WeakPolarHBondContact O-CA 3.39Å; L385-K388 PolarHBondContact O-N 3.36Å; L385-E389 WeakPolarHBondContact O-CB 3.33Å; L385-E389 PolarHBondContact O-N 3.23Å |
| 386 | K | 92.3 | Very high | 78.3 | Confident | 138 Ų | 138 | 117 Ų | 117 | 60% | 0.6 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.3 | -41.6 | 176 | -175.4 | 167.1 | -177.8 | 168.9 | 0 | 112.7 | E382 K388 E389 E390 | E382-K386 WeakPolarHBondContact O-CB 3.37Å; E382-K386 PolarHBondContact O-N 3.47Å; K386-K388 VanDerWaalsContact C-N 3.28Å; K386-K388 PolarHBondContact O-N 2.78Å; K386-E389 PolarHBondContact O-N 3.34Å; K386-E390 VanDerWaalsContact O-CB 3.27Å; K386-E390 WeakPolarHBondContact O-CB 3.27Å; K386-E390 PolarHBondContact O-N 2.85Å |
| 387 | A | 87.3 | Confident | 77.8 | Confident | 47 Ų | 47 | 118.3 Ų | 118.3 | 39% | 0.388 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.9 | -28.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R383 Y384 L385 Q391 | R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 3Å; Y384-A387 PolarHBondContact O-N 2.94Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.23Å; A387-Q391 WeakPolarHBondContact O-CG 3.35Å; A387-Q391 PolarHBondContact O-N 3.13Å; A387-Q391 VanDerWaalsContact O-N 3.16Å |
| 388 | K | 88.2 | Confident | 76.8 | Confident | 101 Ų | 101 | 120 Ų | 120 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -78.8 | -37.2 | 174 | -87.4 | -72.8 | 167.4 | -157.7 | 0 | 113 | Y384 L385 K386 Q391 A392 | Y384-K388 HydrophobicContact CE1-CG 4.16Å; Y384-K388 HydrophobicContact CE2-CG 4.34Å; Y384-K388 PolarHBondContact O-N 3.26Å; L385-K388 CarbonylContact O-C 3.56Å; L385-K388 WeakPolarHBondContact O-CA 3.39Å; L385-K388 PolarHBondContact O-N 3.36Å; K386-K388 VanDerWaalsContact C-N 3.28Å; K386-K388 PolarHBondContact O-N 2.78Å; K388-Q391 PolarHBondContact O-N 3.01Å; K388-A392 WeakPolarHBondContact O-CB 3.45Å; K388-A392 PolarHBondContact O-N 3.03Å |
| 389 | E | 90.8 | Very high | 75.4 | Confident | 136 Ų | 136 | 122.3 Ų | 122.3 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.3 | -45.6 | 170.5 | -177.5 | -179.3 | -159 | 0 | 0 | 110.8 | L385 K386 Q391 A392 S393 | L385-E389 WeakPolarHBondContact O-CB 3.33Å; L385-E389 PolarHBondContact O-N 3.23Å; K386-E389 PolarHBondContact O-N 3.34Å; E389-Q391 PolarHBondContact O-N 3.11Å; E389-A392 CarbonylContact O-C 3.59Å; E389-A392 PolarHBondContact O-N 3.21Å; E389-A392 VanDerWaalsContact O-N 3.12Å; E389-S393 VanDerWaalsContact O-CB 3.31Å; E389-S393 WeakPolarHBondContact O-CB 3.43Å; E389-S393 PolarHBondContact O-N 3.4Å |
| 390 | E | 84.5 | Confident | 73.5 | Confident | 129 Ų | 129 | 122.1 Ų | 122.1 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.7 | -43.9 | 175.4 | -169.2 | 164.8 | -153.8 | 0 | 0 | 111.5 | K386 A392 S393 | K386-E390 VanDerWaalsContact O-CB 3.27Å; K386-E390 WeakPolarHBondContact O-CB 3.27Å; K386-E390 PolarHBondContact O-N 2.85Å; E390-A392 PolarHBondContact O-N 2.83Å; E390-S393 PolarHBondContact O-N 2.9Å; E390-S393 PolarHBondContact O-OG 3.15Å |
| 391 | Q | 78.5 | Confident | 71.7 | Confident | 137 Ų | 137 | 117.9 Ų | 117.9 | 64% | 0.64 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.8 | -39 | 171 | -78.9 | -176.9 | -9.8 | 0 | 0 | 113.7 | A387 K388 E389 | A387-Q391 WeakPolarHBondContact O-CG 3.35Å; A387-Q391 PolarHBondContact O-N 3.13Å; A387-Q391 VanDerWaalsContact O-N 3.16Å; K388-Q391 PolarHBondContact O-N 3.01Å; E389-Q391 PolarHBondContact O-N 3.11Å |
| 392 | A | 77.8 | Confident | 69.3 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76 | -27.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | K388 E389 E390 G394 | K388-A392 WeakPolarHBondContact O-CB 3.45Å; K388-A392 PolarHBondContact O-N 3.03Å; E389-A392 CarbonylContact O-C 3.59Å; E389-A392 PolarHBondContact O-N 3.21Å; E389-A392 VanDerWaalsContact O-N 3.12Å; E390-A392 PolarHBondContact O-N 2.83Å; A392-G394 PolarHBondContact O-N 2.8Å |
| 393 | S | 71.6 | Confident | 67.2 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 44% | 0.441 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -10.4 | -175.9 | 74.7 | 0 | 0 | 0 | 0 | 114.9 | E389 E390 R395 | E389-S393 VanDerWaalsContact O-CB 3.31Å; E389-S393 WeakPolarHBondContact O-CB 3.43Å; E389-S393 PolarHBondContact O-N 3.4Å; E390-S393 PolarHBondContact O-N 2.9Å; E390-S393 PolarHBondContact O-OG 3.15Å; S393-R395 PolarHBondContact O-N 3.45Å; S393-R395 PolarHBondContact OG-N 2.97Å |
| 394 | G | 53.6 | Low | 65.1 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 65% | 0.651 | S | S | * | * | | | trans | 65.1 | -1.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A392 T396 | A392-G394 PolarHBondContact O-N 2.8Å; G394-T396 PolarHBondContact O-N 3.42Å |
| 395 | R | 49.7 | Very low | 63.1 | Low | 199 Ų | 199 | 124.7 Ų | 124.7 | 75% | 0.751 | 66% | 0.664 | S | S | * | * | | | trans | -79.6 | 57.1 | -178 | -72.7 | -172.4 | 169.6 | -173.8 | -2.2 | 112.5 | S393 N397 | S393-R395 PolarHBondContact O-N 3.45Å; S393-R395 PolarHBondContact OG-N 2.97Å; R395-N397 PolarHBondContact O-N 3.18Å |
| 396 | T | 47.6 | Very low | 60.7 | Low | 117 Ų | 117 | 129 Ų | 129 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | | | trans | -70 | 79.1 | 162.7 | 56 | 0 | 0 | 0 | 0 | 109.1 | G394 V398 | G394-T396 PolarHBondContact O-N 3.42Å; T396-V398 PolarHBondContact O-N 3.5Å |
| 397 | N | 52 | Low | 58.1 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | trans | -67.6 | 69.5 | 164.2 | -80.6 | 1.3 | 0 | 0 | 0 | 108.9 | R395 E399 | R395-N397 PolarHBondContact O-N 3.18Å; N397-E399 VanDerWaalsContact C-N 3.26Å; N397-E399 PolarHBondContact O-N 2.8Å |
| 398 | V | 48.4 | Very low | 56 | Low | 102 Ų | 102 | 131.4 Ų | 131.4 | 62% | 0.618 | 71% | 0.707 | S | S | * | * | | | trans | -74.8 | 88 | 169 | -174 | 0 | 0 | 0 | 0 | 106.7 | T396 T400 | T396-V398 PolarHBondContact O-N 3.5Å; V398-T400 VanDerWaalsContact C-N 3.31Å; V398-T400 HydrophobicContact CG1-CG2 3.82Å; V398-T400 PolarHBondContact O-N 3.12Å |
| 399 | E | 45.8 | Very low | 54.1 | Low | 171 Ų | 171 | 130.9 Ų | 130.9 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | | | trans | -59.6 | 100.5 | 159.3 | -69.4 | -169.8 | 137 | 0 | 0 | 107.3 | N397 S401 | N397-E399 VanDerWaalsContact C-N 3.26Å; N397-E399 PolarHBondContact O-N 2.8Å; E399-S401 PolarHBondContact O-N 3.46Å |
| 400 | T | 44.2 | Very low | 52.3 | Low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -74.7 | 49.6 | 178.7 | 37.6 | 0 | 0 | 0 | 0 | 111.4 | V398 G402 | V398-T400 VanDerWaalsContact C-N 3.31Å; V398-T400 HydrophobicContact CG1-CG2 3.82Å; V398-T400 PolarHBondContact O-N 3.12Å; T400-G402 PolarHBondContact O-N 2.76Å |
| 401 | S | 46 | Very low | 50.3 | Low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | | | trans | -77.1 | 85.4 | -178.5 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | E399 | E399-S401 PolarHBondContact O-N 3.46Š|
| 402 | G | 38.5 | Very low | 48.8 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | | | trans | 71 | 66.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | T400 | T400-G402 PolarHBondContact O-N 2.76Š|
| 403 | F | 43 | Very low | 47.2 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 88% | 0.882 | 75% | 0.745 | S | S | * | * | | | trans | -120.6 | 86.8 | 154.6 | -98.6 | -80.1 | 0 | 0 | 0 | 111.6 | R405 | F403-R405 VanDerWaalsContact C-N 3.33Å; F403-R405 PolarHBondContact O-N 3.1Å |
| 404 | Q | 46.4 | Very low | 46 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | -70.4 | 84 | 174.6 | -173.8 | 177.7 | 4.5 | 0 | 0 | 110.3 | Q406 | Q404-Q406 PolarHBondContact O-N 3.36Å; Q404-Q406 VanDerWaalsContact O-N 3.12Å |
| 405 | R | 45.9 | Very low | 45.7 | Very low | 216 Ų | 216 | 145.5 Ų | 145.5 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | -66 | 109.6 | 173.9 | -73.9 | -170.4 | 174.1 | -160.1 | -0.4 | 110.2 | F403 T407 | F403-R405 VanDerWaalsContact C-N 3.33Å; F403-R405 PolarHBondContact O-N 3.1Å; R405-T407 HydrophobicContact CB-CG2 4.28Å; R405-T407 PolarHBondContact O-N 2.86Å |
| 406 | Q | 42.3 | Very low | 44.9 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -68.6 | 95.9 | 167.5 | -71.4 | -179.7 | -21.9 | 0 | 0 | 110 | Q404 | Q404-Q406 PolarHBondContact O-N 3.36Å; Q404-Q406 VanDerWaalsContact O-N 3.12Å |
| 407 | T | 37.9 | Very low | 44.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -102.4 | 64.6 | 175 | 55 | 0 | 0 | 0 | 0 | 111.4 | R405 | R405-T407 HydrophobicContact CB-CG2 4.28Å; R405-T407 PolarHBondContact O-N 2.86Å |
| 408 | S | 43.7 | Very low | 44 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -101.9 | 88.6 | 173.8 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 409 | A | 48 | Very low | 43.4 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -78.6 | 130.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N411 | A409-N411 PolarHBondContact O-N 3.4Š|
| 410 | P | 53.3 | Low | 43.2 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -71.8 | 119.8 | 179.5 | 28 | -33.4 | 0 | 0 | 0 | 111.5 | L412 | P410-L412 PolarHBondContact O-N 2.97Å; P410-L412 VanDerWaalsContact O-N 3.1Å |
| 411 | N | 41.9 | Very low | 42.7 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -87.3 | 73.6 | -171 | -169.2 | -0.6 | 0 | 0 | 0 | 112.4 | A409 K413 | A409-N411 PolarHBondContact O-N 3.4Å; N411-K413 PolarHBondContact O-N 3.48Å |
| 412 | L | 47.7 | Very low | 42.3 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | | | trans | -79.2 | 81.1 | -179.7 | -71.9 | 173.6 | 0 | 0 | 0 | 112.6 | P410 | P410-L412 PolarHBondContact O-N 2.97Å; P410-L412 VanDerWaalsContact O-N 3.1Å |
| 413 | K | 44.1 | Very low | 42.2 | Very low | 168 Ų | 168 | 151 Ų | 151 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | | | trans | -111.9 | 134 | 166.7 | -83.2 | -176.7 | 174.7 | 177.1 | 0 | 111.3 | N411 | N411-K413 PolarHBondContact O-N 3.48Š|
| 414 | K | 46 | Very low | 41.9 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | 66.7 | 118.3 | 175.5 | -47.1 | 169.4 | -177.4 | 179 | 0 | 112.3 | | |
| 415 | T | 46.3 | Very low | 41.8 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | | -158.8 | 131 | 63 | 31.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 416 | A | 33.9 | Very low | 41.6 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -84 | 125.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 417 | K | 44.6 | Very low | 41.5 | Very low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -122.7 | 116.7 | 162.2 | -83.2 | -167.8 | 172.5 | -174.9 | 0 | 108.9 | | |
| 418 | I | 35.8 | Very low | 41.8 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -80.7 | 122 | 174.2 | -62.9 | 166.9 | 0 | 0 | 0 | 107.2 | T420 | I418-T420 HydrophobicContact CG2-CG2 3.94Š|
| 419 | C | 36.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | trans | -129.2 | 121.3 | 164.7 | -67.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 420 | T | 41 | Very low | 41.5 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | | | trans | -111.9 | 130 | -171.7 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | I418 | I418-T420 HydrophobicContact CG2-CG2 3.94Š|
| 421 | V | 34.7 | Very low | 41.1 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | 71.5 | 151 | 148.3 | 170.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 422 | P | 37.7 | Very low | 41.4 | Very low | 121 Ų | 121 | 153 Ų | 153 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | cis | -120.4 | 178.6 | 13.3 | 17.1 | 8.3 | 0 | 0 | 0 | 117.3 | | |
| 423 | K | 35.7 | Very low | 41.3 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | | | trans | -63.3 | 138.4 | 168.3 | -56.6 | 166.3 | 176.2 | 174.3 | 0 | 111.9 | | |
| 424 | A | 37.4 | Very low | 41.6 | Very low | 99 Ų | 99 | 155.8 Ų | 155.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -173.9 | 163.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 425 | A | 42.6 | Very low | 41.8 | Very low | 91 Ų | 91 | 155 Ų | 155 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | 72.1 | 129.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 426 | S | 42.8 | Very low | 42 | Very low | 102 Ų | 102 | 157.9 Ų | 157.9 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | | | trans | 48.8 | 90.4 | 150.1 | 59.6 | 0 | 0 | 0 | 0 | 120.1 | D428 | S426-D428 PolarHBondContact O-N 3.12Š|
| 427 | F | 40.3 | Very low | 42.8 | Very low | 215 Ų | 215 | 161.4 Ų | 161.4 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | | | trans | -79.6 | 86.9 | 145.3 | -114.5 | -92.5 | 0 | 0 | 0 | 108.3 | | |
| 428 | D | 44.4 | Very low | 42.4 | Very low | 141 Ų | 141 | 156.1 Ų | 156.1 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | | | trans | -150.4 | 60.6 | -172.3 | -128.4 | -26.8 | 0 | 0 | 0 | 113.1 | S426 | S426-D428 PolarHBondContact O-N 3.12Š|
| 429 | R | 41.6 | Very low | 42.5 | Very low | 249 Ų | 249 | 152.4 Ų | 152.4 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | | | trans | -171.8 | 54 | 174.4 | -112.2 | 162.6 | -165.5 | -160 | 4.3 | 114.9 | | |
| 430 | L | 42.5 | Very low | 42.7 | Very low | 168 Ų | 168 | 156 Ų | 156 | 88% | 0.88 | 83% | 0.832 | S | S | * | * | | | trans | -148.3 | 28.4 | 176 | -122.6 | 168 | 0 | 0 | 0 | 116.6 | | |
| 431 | D | 45.1 | Very low | 42.8 | Very low | 131 Ų | 131 | 160.2 Ų | 160.2 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | | | trans | -136.7 | 73.6 | 175.3 | -161.4 | 7.6 | 0 | 0 | 0 | 112.8 | | |
| 432 | K | 48.2 | Very low | 43.2 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -147.6 | 25.8 | 178.5 | -108.2 | -168.6 | -177.9 | -170.6 | 0 | 115.1 | | |
| 433 | R | 46.4 | Very low | 43.2 | Very low | 242 Ų | 242 | 163.5 Ų | 163.5 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -141.9 | 15.5 | 178.9 | -77.4 | -163 | 172.4 | -169 | -2.5 | 115.9 | | |
| 434 | I | 50.4 | Low | 43.3 | Very low | 152 Ų | 152 | 160.8 Ų | 160.8 | 78% | 0.779 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -128.6 | 44.8 | -179.6 | -39.1 | -177.3 | 0 | 0 | 0 | 111.2 | | |
| 435 | Q | 49.7 | Very low | 43.3 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -145.3 | 7.9 | -176 | -124.1 | 174.8 | 48.5 | 0 | 0 | 117.2 | | |
| 436 | E | 51.3 | Low | 43.1 | Very low | 189 Ų | 189 | 160.6 Ų | 160.6 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -117.4 | 9.4 | -172.1 | -68.5 | -172 | 133.9 | 0 | 0 | 116.1 | | |
| 437 | L | 49.4 | Very low | 42.7 | Very low | 177 Ų | 177 | 162.7 Ų | 162.7 | 93% | 0.927 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -129.3 | 112.2 | 179.5 | -74.3 | 177 | 0 | 0 | 0 | 114.6 | | |
| 438 | G | 37.5 | Very low | 42.8 | Very low | 80 Ų | 80 | 161.5 Ų | 161.5 | 83% | 0.825 | 85% | 0.848 | S | S | * | * | | | trans | 72 | 89.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 439 | G | 37.1 | Very low | 42.3 | Very low | 74 Ų | 74 | 161.3 Ų | 161.3 | 76% | 0.763 | 85% | 0.852 | S | S | * | * | | | trans | -82.4 | 137.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 440 | H | 41.1 | Very low | 42.4 | Very low | 199 Ų | 199 | 155.9 Ų | 155.9 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | | | trans | -127.7 | 95.3 | 154.6 | -89.5 | -74.2 | 0 | 0 | 0 | 109.7 | | |
| 441 | K | 41.9 | Very low | 42.2 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 85% | 0.848 | S | S | * | * | | | trans | -100.1 | 107.4 | 166.2 | -68.5 | -179.2 | -179.8 | 178.3 | 0 | 108 | | |
| 442 | N | 44.6 | Very low | 42 | Very low | 162 Ų | 162 | 158 Ų | 158 | 87% | 0.866 | 86% | 0.858 | S | S | * | * | | | trans | -179.4 | 82.1 | 156.1 | -96.3 | -17.4 | 0 | 0 | 0 | 111.6 | | |
| 443 | L | 37.5 | Very low | 41.6 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 87% | 0.874 | 86% | 0.857 | S | S | * | * | | | trans | -166.6 | 106 | 131.6 | -131.4 | 73.6 | 0 | 0 | 0 | 109.5 | | |
| 444 | V | 37.2 | Very low | 41.1 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | | | trans | -110.6 | 104.8 | 165.2 | 176 | 0 | 0 | 0 | 0 | 106.8 | | |
| 445 | A | 38.7 | Very low | 40.6 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 86% | 0.856 | S | S | * | * | | | trans | -130.1 | 107.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 446 | A | 36.8 | Very low | 40 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 78% | 0.777 | 86% | 0.855 | S | S | * | * | | | trans | -88.5 | 133.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 447 | V | 35.6 | Very low | 39.8 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 89% | 0.885 | 86% | 0.857 | S | S | * | * | | | trans | -130.9 | 134 | 156.4 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 448 | K | 41.1 | Very low | 39.2 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 85% | 0.848 | S | S | * | * | | | trans | -83.4 | 162.5 | -175.8 | -71.5 | 179.8 | 178.1 | 176.5 | 0 | 112.2 | | |
| 449 | T | 35.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 85% | 0.847 | 85% | 0.848 | S | S | * | * | | | trans | -54.3 | 130.9 | 170.2 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 450 | T | 43.2 | Very low | 40.4 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 83% | 0.828 | 85% | 0.854 | S | S | * | * | | | trans | -142.1 | 127.5 | 153.5 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 451 | N | 37.2 | Very low | 41.2 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | | | trans | -76.4 | 135.5 | 170 | -67.6 | -62 | 0 | 0 | 0 | 110.1 | | |
| 452 | L | 42.1 | Very low | 41.6 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 92% | 0.916 | 85% | 0.847 | S | S | * | * | | | trans | -142.7 | 152.7 | 158.1 | -99.9 | 176 | 0 | 0 | 0 | 111 | | |
| 453 | K | 39.1 | Very low | 42.2 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 87% | 0.865 | 84% | 0.84 | S | S | * | * | | | trans | -91.1 | 150.1 | -172.2 | -71 | 178.9 | 177.9 | 175.9 | 0 | 112.7 | | |
| 454 | A | 36.2 | Very low | 42.8 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | | | trans | 23.9 | 119.3 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 455 | A | 39.2 | Very low | 43.1 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -136.1 | 129.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 456 | T | 38.5 | Very low | 43.7 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | | | trans | -99.8 | 108.8 | -173.6 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 457 | L | 45.3 | Very low | 43.8 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | | | trans | -159.5 | 147.3 | 163.5 | -93.2 | 132.8 | 0 | 0 | 0 | 108.2 | | |
| 458 | G | 36.7 | Very low | 44 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | | | cis | 159 | 27.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 459 | S | 48.5 | Very low | 44 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -135.4 | 124.9 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 460 | K | 52 | Low | 44.2 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 88% | 0.878 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 135.9 | 170.1 | -66.3 | -179.5 | -179.7 | 178 | 0 | 109.6 | | |
| 461 | P | 58 | Low | 44.3 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.5 | 170.6 | 29.1 | -33.6 | 0 | 0 | 0 | 110.8 | | |
| 462 | K | 50.9 | Low | 44.3 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 135.9 | 173.9 | -69.6 | -179.9 | 177.9 | 177.6 | 0 | 110.3 | | |
| 463 | P | 56.4 | Low | 44.2 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 139.5 | 171.2 | 30.1 | -33.8 | 0 | 0 | 0 | 110.9 | | |
| 464 | V | 50.4 | Low | 44.7 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 119.1 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | P466 | V464-P466 WeakPolarHBondContact O-CD 3.47Š|
| 465 | H | 43.6 | Very low | 44.9 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 124.6 | 174.6 | -76.4 | -78.7 | 0 | 0 | 0 | 111.6 | C467 | H465-C467 PolarHBondContact O-N 3.05Š|
| 466 | P | 51.7 | Low | 45 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | | | trans | -80.4 | 101.6 | 172.2 | 31.1 | -32.5 | 0 | 0 | 0 | 111 | V464 G468 | V464-P466 WeakPolarHBondContact O-CD 3.47Å; P466-G468 PolarHBondContact O-N 2.85Å |
| 467 | C | 38.4 | Very low | 45.2 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 69 | 174.3 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | H465 | H465-C467 PolarHBondContact O-N 3.05Š|
| 468 | G | 40.2 | Very low | 45.2 | Very low | 60 Ų | 60 | 141 Ų | 141 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | trans | -100.2 | 108.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | P466 I470 | P466-G468 PolarHBondContact O-N 2.85Å; G468-I470 PolarHBondContact O-N 3.2Å |
| 469 | R | 40.2 | Very low | 45.9 | Very low | 246 Ų | 246 | 143 Ų | 143 | 93% | 0.928 | 77% | 0.767 | S | S | * | * | | | trans | -73.5 | 94.7 | 172.3 | -74.9 | -176.6 | 177.7 | 167.8 | 0.3 | 110.7 | T471 | R469-T471 PolarHBondContact O-N 3.48Š|
| 470 | I | 40.2 | Very low | 46.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -75 | 101.9 | 168.8 | -58 | 177.5 | 0 | 0 | 0 | 108.5 | G468 V472 | G468-I470 PolarHBondContact O-N 3.2Å; I470-V472 PolarHBondContact O-N 3.44Å |
| 471 | T | 44.7 | Very low | 47.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | trans | -70.6 | 111.3 | 166.4 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | R469 V473 | R469-T471 PolarHBondContact O-N 3.48Å; T471-V473 PolarHBondContact O-N 2.92Å |
| 472 | V | 37.7 | Very low | 48.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | | | trans | -66.3 | 98.8 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | I470 K474 | I470-V472 PolarHBondContact O-N 3.44Å; V472-K474 PolarHBondContact O-N 2.99Å |
| 473 | V | 40.7 | Very low | 49.3 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | | | trans | -70.7 | 109.1 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 107.4 | T471 | T471-V473 PolarHBondContact O-N 2.92Š|
| 474 | K | 48.6 | Very low | 50.6 | Low | 177 Ų | 177 | 135.7 Ų | 135.7 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | | | trans | -59.9 | 133.1 | 170.9 | -75.8 | -173 | 174.7 | -175.5 | 0 | 109 | V472 F476 | V472-K474 PolarHBondContact O-N 2.99Å; K474-F476 PolarHBondContact O-N 3.2Å |
| 475 | P | 41 | Very low | 52 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | | | trans | -65.8 | 131.6 | 176 | 29.3 | -35.3 | 0 | 0 | 0 | 109.6 | L477 | P475-L477 VanDerWaalsContact C-N 3.26Å; P475-L477 HydrophobicContact CB-CD1 3.71Å; P475-L477 HydrophobicContact CG-CD1 4.06Å; P475-L477 PolarHBondContact O-N 3.17Å |
| 476 | F | 41.5 | Very low | 53.9 | Low | 208 Ų | 208 | 131.6 Ų | 131.6 | 91% | 0.912 | 68% | 0.679 | S | S | * | * | | | trans | -82.4 | 69.2 | -173.1 | -144.4 | -82.5 | 0 | 0 | 0 | 110.6 | K474 | K474-F476 PolarHBondContact O-N 3.2Š|
| 477 | L | 42.2 | Very low | 55.4 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | | | trans | -79.3 | 131 | -178.1 | -98.5 | 77.2 | 0 | 0 | 0 | 112.6 | P475 | P475-L477 VanDerWaalsContact C-N 3.26Å; P475-L477 HydrophobicContact CB-CD1 3.71Å; P475-L477 HydrophobicContact CG-CD1 4.06Å; P475-L477 PolarHBondContact O-N 3.17Å |
| 478 | F | 45.7 | Very low | 57.6 | Low | 139 Ų | 139 | 131.2 Ų | 131.2 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | | | trans | 64.2 | 67.3 | 147.2 | -74 | -117.6 | 0 | 0 | 0 | 118 | Q481 | F478-Q481 HydrophobicContact CD1-CB 3.39Å; F478-Q481 HydrophobicContact CD1-CG 3.88Å; F478-Q481 HydrophobicContact CE1-CB 3.74Å; F478-Q481 HydrophobicContact CE1-CG 3.83Å; F478-Q481 HydrophobicContact CG-CB 4.29Å |
| 479 | E | 52.6 | Low | 59.6 | Low | 112 Ų | 112 | 131 Ų | 131 | 52% | 0.523 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -106.8 | -23.5 | 148 | -151.3 | -172 | 133.2 | 0 | 0 | 113 | R483 | E479-R483 IonicContact OE1-CZ 2.72Å; E479-R483 IonicContact OE1-NE 3.15Å; E479-R483 PolarHBondContact OE1-NE 3.28Å; E479-R483 IonicContact OE1-NH2 3.8Å; E479-R483 PolarHBondContact OE1-NH2 3.46Å |
| 480 | T | 60.8 | Low | 61.3 | Low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 176.5 | 44.5 | 0 | 0 | 0 | 0 | 112.7 | K482 R483 H484 | T480-K482 PolarHBondContact O-N 3.39Å; T480-R483 PolarHBondContact O-N 3.42Å; T480-H484 PolarHBondContact O-N 2.98Å |
| 481 | Q | 70.5 | Confident | 62.8 | Low | 74 Ų | 74 | 119 Ų | 119 | 35% | 0.346 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -61 | -45.6 | -179.2 | -168 | 65.5 | 42.4 | 0 | 0 | 112 | F478 R483 H484 D485 | F478-Q481 HydrophobicContact CD1-CB 3.39Å; F478-Q481 HydrophobicContact CD1-CG 3.88Å; F478-Q481 HydrophobicContact CE1-CB 3.74Å; F478-Q481 HydrophobicContact CE1-CG 3.83Å; F478-Q481 HydrophobicContact CG-CB 4.29Å; Q481-R483 PolarHBondContact O-N 2.91Å; Q481-H484 WeakPolarHBondContact O-CA 3.35Å; Q481-H484 WeakPolarHBondContact O-CB 3.31Å; Q481-H484 PolarHBondContact O-N 3.02Å; Q481-D485 WeakPolarHBondContact CG-OD2 3.4Å; Q481-D485 PolarHBondContact NE2-OD1 3.33Å; Q481-D485 PolarHBondContact O-N 3.31Å |
| 482 | K | 74.6 | Confident | 63.9 | Low | 148 Ų | 148 | 117.5 Ų | 117.5 | 64% | 0.643 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.2 | -33.2 | 179.5 | -168.9 | 173.8 | -178.1 | 178.4 | 0 | 112.5 | T480 Q486 | T480-K482 PolarHBondContact O-N 3.39Å; K482-Q486 WeakPolarHBondContact O-CB 3.4Å; K482-Q486 WeakPolarHBondContact O-CG 3.47Å; K482-Q486 PolarHBondContact O-N 3.5Å |
| 483 | R | 74.9 | Confident | 65.2 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 61% | 0.611 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77 | -34.6 | 173.9 | -63.1 | -178.8 | -173.1 | -148.8 | 4.1 | 112.5 | E479 T480 Q481 K487 | E479-R483 IonicContact OE1-CZ 2.72Å; E479-R483 IonicContact OE1-NE 3.15Å; E479-R483 PolarHBondContact OE1-NE 3.28Å; E479-R483 IonicContact OE1-NH2 3.8Å; E479-R483 PolarHBondContact OE1-NH2 3.46Å; T480-R483 PolarHBondContact O-N 3.42Å; Q481-R483 PolarHBondContact O-N 2.91Å; R483-K487 WeakPolarHBondContact O-CB 3.48Å; R483-K487 PolarHBondContact O-N 2.96Å |
| 484 | H | 81.9 | Confident | 66 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 44% | 0.444 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.1 | -50.6 | 171.5 | 175.5 | -86.9 | 0 | 0 | 0 | 110.9 | T480 Q481 Q486 K487 M488 | T480-H484 PolarHBondContact O-N 2.98Å; Q481-H484 WeakPolarHBondContact O-CA 3.35Å; Q481-H484 WeakPolarHBondContact O-CB 3.31Å; Q481-H484 PolarHBondContact O-N 3.02Å; H484-Q486 PolarHBondContact O-N 3.12Å; H484-K487 WeakPolarHBondContact O-CA 3.36Å; H484-K487 WeakPolarHBondContact O-CB 3.44Å; H484-K487 PolarHBondContact O-N 3.06Å; H484-M488 WeakPolarHBondContact O-CG 3.29Å; H484-M488 PolarHBondContact O-N 2.94Å |
| 485 | D | 80.7 | Confident | 66.1 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 42% | 0.422 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.6 | -36.9 | -175.4 | -55.6 | -19.7 | 0 | 0 | 0 | 111.5 | Q481 K487 M488 A489 | Q481-D485 WeakPolarHBondContact CG-OD2 3.4Å; Q481-D485 PolarHBondContact NE2-OD1 3.33Å; Q481-D485 PolarHBondContact O-N 3.31Å; D485-K487 VanDerWaalsContact C-N 3.33Å; D485-K487 PolarHBondContact O-N 3.39Å; D485-M488 PolarHBondContact O-N 3.22Å; D485-A489 VanDerWaalsContact O-CB 3.29Å; D485-A489 WeakPolarHBondContact O-CB 3.37Å; D485-A489 PolarHBondContact O-N 3.25Å |
| 486 | Q | 83 | Confident | 66.7 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.2 | -38.5 | 167.9 | -80.6 | -173.3 | -42.2 | 0 | 0 | 112.8 | K482 H484 A490 | K482-Q486 WeakPolarHBondContact O-CB 3.4Å; K482-Q486 WeakPolarHBondContact O-CG 3.47Å; K482-Q486 PolarHBondContact O-N 3.5Å; H484-Q486 PolarHBondContact O-N 3.12Å; Q486-A490 WeakPolarHBondContact O-CB 3.4Å; Q486-A490 PolarHBondContact O-N 3.05Å |
| 487 | K | 84.5 | Confident | 67.3 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 62% | 0.617 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -41.8 | 177.4 | -170.3 | -178.1 | 178.8 | -171.9 | 0 | 111.6 | R483 H484 D485 A490 L491 | R483-K487 WeakPolarHBondContact O-CB 3.48Å; R483-K487 PolarHBondContact O-N 2.96Å; H484-K487 WeakPolarHBondContact O-CA 3.36Å; H484-K487 WeakPolarHBondContact O-CB 3.44Å; H484-K487 PolarHBondContact O-N 3.06Å; D485-K487 VanDerWaalsContact C-N 3.33Å; D485-K487 PolarHBondContact O-N 3.39Å; K487-A490 PolarHBondContact O-N 3.24Å; K487-L491 HydrophobicContact CG-CD1 4.35Å; K487-L491 WeakPolarHBondContact O-CG 3.43Å; K487-L491 PolarHBondContact O-N 3.3Å |
| 488 | M | 83.5 | Confident | 67.8 | Low | 105 Ų | 105 | 119.8 Ų | 119.8 | 52% | 0.517 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.8 | -41.4 | 176.1 | -60.2 | -58.4 | -89 | 0 | 0 | 111.4 | H484 D485 A490 L491 S492 | H484-M488 WeakPolarHBondContact O-CG 3.29Å; H484-M488 PolarHBondContact O-N 2.94Å; D485-M488 PolarHBondContact O-N 3.22Å; M488-A490 VanDerWaalsContact C-N 3.29Å; M488-A490 PolarHBondContact O-N 3.47Å; M488-L491 PolarHBondContact O-N 3.3Å; M488-L491 HydrophobicContact SD-CD1 4.41Å; M488-S492 WeakPolarHBondContact O-CB 3.42Å; M488-S492 PolarHBondContact O-N 3.31Å |
| 489 | A | 81.7 | Confident | 68 | Low | 57 Ų | 57 | 122.6 Ų | 122.6 | 47% | 0.471 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.5 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D485 | D485-A489 VanDerWaalsContact O-CB 3.29Å; D485-A489 WeakPolarHBondContact O-CB 3.37Å; D485-A489 PolarHBondContact O-N 3.25Å |
| 490 | A | 77.3 | Confident | 67.5 | Low | 56 Ų | 56 | 120.9 Ų | 120.9 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.5 | -46.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q486 K487 M488 S492 K493 V494 | Q486-A490 WeakPolarHBondContact O-CB 3.4Å; Q486-A490 PolarHBondContact O-N 3.05Å; K487-A490 PolarHBondContact O-N 3.24Å; M488-A490 VanDerWaalsContact C-N 3.29Å; M488-A490 PolarHBondContact O-N 3.47Å; A490-S492 VanDerWaalsContact C-N 3.31Å; A490-S492 PolarHBondContact O-N 3.02Å; A490-K493 PolarHBondContact O-N 3.43Å; A490-V494 PolarHBondContact O-N 3.15Å |
| 491 | L | 71.6 | Confident | 66.9 | Low | 95 Ų | 95 | 124.1 Ų | 124.1 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.3 | -41.1 | 178 | -71.1 | 167.4 | 0 | 0 | 0 | 111.7 | K487 M488 K493 V494 | K487-L491 HydrophobicContact CG-CD1 4.35Å; K487-L491 WeakPolarHBondContact O-CG 3.43Å; K487-L491 PolarHBondContact O-N 3.3Å; M488-L491 PolarHBondContact O-N 3.3Å; M488-L491 HydrophobicContact SD-CD1 4.41Å; L491-K493 PolarHBondContact O-N 3.31Å; L491-V494 PolarHBondContact O-N 3.43Å; L491-V494 VanDerWaalsContact O-N 3.12Å |
| 492 | S | 68.1 | Low | 66.1 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.2 | -11 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 114.9 | M488 A490 | M488-S492 WeakPolarHBondContact O-CB 3.42Å; M488-S492 PolarHBondContact O-N 3.31Å; A490-S492 VanDerWaalsContact C-N 3.31Å; A490-S492 PolarHBondContact O-N 3.02Å |
| 493 | K | 63.5 | Low | 64.5 | Low | 168 Ų | 168 | 129 Ų | 129 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -100.1 | -18.4 | 175.5 | -72.9 | -173.4 | 175 | -166.7 | 0 | 114 | A490 L491 | A490-K493 PolarHBondContact O-N 3.43Å; L491-K493 PolarHBondContact O-N 3.31Å |
| 494 | V | 57.1 | Low | 63.4 | Low | 110 Ų | 110 | 128 Ų | 128 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.1 | -27.4 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | A490 L491 K496 | A490-V494 PolarHBondContact O-N 3.15Å; L491-V494 PolarHBondContact O-N 3.43Å; L491-V494 VanDerWaalsContact O-N 3.12Å; V494-K496 PolarHBondContact O-N 3.33Å |
| 495 | T | 51.8 | Low | 61.6 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 40.9 | -178.5 | 62 | 0 | 0 | 0 | 0 | 113.8 | | |
| 496 | K | 53.6 | Low | 59.5 | Low | 187 Ų | 187 | 129.1 Ų | 129.1 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 6.9 | 177.6 | -80.1 | -152.4 | 171.4 | -161.2 | 0 | 115.5 | V494 | V494-K496 PolarHBondContact O-N 3.33Š|
| 497 | E | 53.6 | Low | 57.6 | Low | 177 Ų | 177 | 130.4 Ų | 130.4 | 83% | 0.827 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -126.5 | 52.6 | -178.3 | -64.4 | -173.6 | 152.5 | 0 | 0 | 111.6 | | |
| 498 | D | 52 | Low | 55.8 | Low | 159 Ų | 159 | 129.3 Ų | 129.3 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | | | trans | -148 | 27.4 | 178.6 | -131.8 | -11.1 | 0 | 0 | 0 | 114.9 | | |
| 499 | E | 50 | Low | 54 | Low | 199 Ų | 199 | 128.4 Ų | 128.4 | 93% | 0.93 | 75% | 0.748 | S | S | * | * | | | trans | -97.6 | 93.9 | 163.3 | -75 | -167.6 | 158.8 | 0 | 0 | 109.6 | Q501 | E499-Q501 PolarHBondContact O-N 3.42Š|
| 500 | G | 43 | Very low | 52.4 | Low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | | | trans | -77.3 | 115.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 501 | Q | 48.8 | Very low | 51 | Low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 137 | 165.5 | -74.5 | -168 | -19.6 | 0 | 0 | 111.7 | E499 | E499-Q501 PolarHBondContact O-N 3.42Š|
| 502 | P | 52.5 | Low | 50.1 | Low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 138 | 177.4 | 29.8 | -34.4 | 0 | 0 | 0 | 111.8 | T504 | P502-T504 PolarHBondContact O-N 3.39Š|
| 503 | K | 41.3 | Very low | 49.1 | Very low | 203 Ų | 203 | 146.7 Ų | 146.7 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 117.2 | -179.9 | -62.5 | 172.4 | -176.7 | 171.5 | 0 | 111.2 | | |
| 504 | T | 51.7 | Low | 48.4 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 87% | 0.871 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 120.3 | 162.4 | 41.2 | 0 | 0 | 0 | 0 | 110.2 | P502 | P502-T504 PolarHBondContact O-N 3.39Š|
| 505 | C | 44.2 | Very low | 47.9 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 131 | 169.9 | -66 | 0 | 0 | 0 | 0 | 109.1 | | |
| 506 | G | 37.7 | Very low | 47.7 | Very low | 68 Ų | 68 | 152.8 Ų | 152.8 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | | | trans | -84.9 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 507 | N | 42.7 | Very low | 47.2 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | | | trans | -161.9 | 139.4 | 162.9 | -103 | -36.8 | 0 | 0 | 0 | 110.5 | | |
| 508 | S | 46.6 | Very low | 46.9 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | | | trans | 60.2 | 155.9 | 164.2 | 65.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 509 | A | 46.1 | Very low | 46.8 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | | | cis | -166 | -176.3 | -26.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 510 | S | 48.1 | Very low | 46.6 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | 75.1 | 96.3 | 153.2 | -60.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 511 | K | 47.3 | Very low | 46.8 | Very low | 206 Ų | 206 | 143.6 Ų | 143.6 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | | | | 40.5 | 117.8 | 122.7 | -58.9 | 170.8 | -178.3 | 173 | 0 | 119 | | |
| 512 | S | 53.1 | Low | 46.7 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | | -157.4 | 168.1 | 111.5 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 513 | R | 46.1 | Very low | 46.4 | Very low | 238 Ų | 238 | 139.9 Ų | 139.9 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | -113 | 145.2 | 178.5 | -62.3 | 171.6 | 176.2 | 158.5 | -4.8 | 109.4 | | |
| 514 | N | 49.7 | Very low | 46.8 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -153.2 | 164.7 | 133.4 | -138.6 | -27.3 | 0 | 0 | 0 | 112 | | |
| 515 | T | 46.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | | | trans | -139.4 | 133.2 | -157.3 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 516 | R | 47.7 | Very low | 46.5 | Very low | 243 Ų | 243 | 138.2 Ų | 138.2 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | | | trans | -160.4 | 122.1 | 148.8 | -100 | 169.6 | -177.9 | -174 | -0.7 | 106 | | |
| 517 | A | 42.9 | Very low | 46.9 | Very low | 90 Ų | 90 | 144 Ų | 144 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | | | | 57.4 | 123.1 | 73.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 518 | V | 47.6 | Very low | 46.9 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | cis | -145.6 | 160.7 | 42.4 | 161.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 519 | P | 49.4 | Very low | 47 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -104.4 | 170.1 | -153.8 | 39.8 | -35.2 | 0 | 0 | 0 | 117 | | |
| 520 | G | 45.7 | Very low | 47.1 | Very low | 70 Ų | 70 | 150.7 Ų | 150.7 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -153.7 | 104.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 521 | I | 46.9 | Very low | 47.5 | Very low | 177 Ų | 177 | 153.1 Ų | 153.1 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | | | trans | 60.9 | 108.6 | 151.6 | -53.9 | 177.5 | 0 | 0 | 0 | 118.4 | | |
| 522 | A | 47.2 | Very low | 47.8 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 65% | 0.653 | 82% | 0.816 | S | S | * | * | | | trans | -78.1 | 171.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 523 | N | 46.5 | Very low | 47.9 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | cis | -173.9 | 163.4 | 38.7 | -134.9 | -28.5 | 0 | 0 | 0 | 106.1 | | |
| 524 | K | 49.2 | Very low | 48.4 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | cis | -142.5 | -177.4 | 18.6 | -55.5 | 178 | -178.9 | 179.6 | 0 | 110.8 | | |
| 525 | S | 41.8 | Very low | 47.9 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -129.6 | 155.5 | 167.5 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 526 | T | 48.9 | Very low | 48.3 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -136.9 | 122.2 | 166.2 | 27.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 527 | Q | 45.9 | Very low | 48.1 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 161.7 | -174.4 | -70 | 174.6 | -50.9 | 0 | 0 | 113.4 | | |
| 528 | S | 41.6 | Very low | 48.1 | Very low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 149.8 | 170.7 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 529 | R | 49.6 | Very low | 47.7 | Very low | 244 Ų | 244 | 151.6 Ų | 151.6 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 125.1 | 163.6 | -86.3 | -175.6 | 169.1 | 178.2 | -3.2 | 109.8 | | |
| 530 | I | 48.6 | Very low | 47.5 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 139.1 | 166.5 | -62.9 | 172.2 | 0 | 0 | 0 | 108 | | |
| 531 | L | 55.6 | Low | 47.3 | Very low | 157 Ų | 157 | 156 Ų | 156 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | -126.8 | 118.4 | 168.6 | -77.1 | 175.5 | 0 | 0 | 0 | 109.7 | | |
| 532 | P | 53.7 | Low | 46.9 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 123.1 | 171.5 | 32.4 | -30.3 | 0 | 0 | 0 | 110.6 | | |
| 533 | L | 54.3 | Low | 46.9 | Very low | 177 Ų | 177 | 161.4 Ų | 161.4 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 129.2 | 169.7 | -74.5 | 171.8 | 0 | 0 | 0 | 110.2 | | |
| 534 | K | 57.5 | Low | 46.5 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 143 | -180 | -65.5 | -175.6 | 177.7 | -176.3 | 0 | 111.3 | | |
| 535 | A | 39.8 | Very low | 46.1 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 148.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 536 | K | 53.5 | Low | 46 | Very low | 207 Ų | 207 | 159.7 Ų | 159.7 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | | | trans | -132.6 | 117.5 | 159.5 | -82.8 | -169.3 | 172.7 | -171.9 | 0 | 108.6 | | |
| 537 | Q | 43.2 | Very low | 45.6 | Very low | 183 Ų | 183 | 159.3 Ų | 159.3 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -76.7 | 161 | 151.6 | -65.2 | 168.1 | -54.8 | 0 | 0 | 108.5 | | |
| 538 | I | 44 | Very low | 45.3 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | 166.4 | 109.3 | 135 | -87.3 | 162.6 | 0 | 0 | 0 | 110.2 | | |
| 539 | M | 39.7 | Very low | 45.2 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | 77.8 | 151.2 | 136.5 | -122 | 156.1 | 60.3 | 0 | 0 | 123.3 | | |
| 540 | E | 43.6 | Very low | 45.1 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 67% | 0.668 | 81% | 0.813 | S | S | * | * | | | trans | 67.7 | 144 | 161 | -55.8 | -166.3 | -170.3 | 0 | 0 | 119 | | |
| 541 | H | 42 | Very low | 44.9 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | cis | -158.5 | 149 | -10.8 | -122.3 | -34.7 | 0 | 0 | 0 | 110 | | |
| 542 | P | 39.8 | Very low | 44.3 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -123.5 | 122.8 | 165.8 | 35.4 | -22.8 | 0 | 0 | 0 | 113.7 | | |
| 543 | R | 46.9 | Very low | 43.8 | Very low | 250 Ų | 250 | 149.5 Ų | 149.5 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | | | trans | -146.4 | 156.2 | 163.5 | -74.8 | -163.7 | 175.2 | -164.5 | -0.7 | 110.8 | | |
| 544 | A | 37.2 | Very low | 43.4 | Very low | 98 Ų | 98 | 150.5 Ų | 150.5 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -122.8 | 146.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 545 | V | 41.5 | Very low | 42.9 | Very low | 137 Ų | 137 | 150 Ų | 150 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -145.4 | 106.6 | 170.3 | -176 | 0 | 0 | 0 | 0 | 105 | | |
| 546 | Q | 40.3 | Very low | 43.1 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | | | | 67 | 118.6 | 81.5 | -83.1 | -156.9 | 2.9 | 0 | 0 | 116.9 | | |
| 547 | V | 39.8 | Very low | 42.7 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | 63.1 | 112.6 | 140 | -175.5 | 0 | 0 | 0 | 0 | 120 | | |
| 548 | A | 39.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | | -171 | 143.9 | 120.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 549 | N | 38.5 | Very low | 42.6 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | -92.1 | 179.3 | 163.9 | -105.1 | -30.5 | 0 | 0 | 0 | 109.1 | | |
| 550 | P | 49.1 | Very low | 42.8 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | cis | -142 | -162.8 | 24.5 | 42.7 | -21.5 | 0 | 0 | 0 | 115.4 | | |
| 551 | G | 44 | Very low | 42.7 | Very low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | -171.5 | 4.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 125.7 | | |
| 552 | L | 43.3 | Very low | 43.1 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | | | trans | 65.3 | 170.6 | 165.7 | -71.4 | 167.1 | 0 | 0 | 0 | 120.8 | | |
| 553 | V | 42.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | | | trans | -147.1 | 141 | -163.1 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 554 | K | 46.7 | Very low | 43 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -178.9 | 136.8 | 150.3 | -94.7 | 146.6 | -174.4 | -176.3 | 0 | 107.7 | | |
| 555 | K | 46.2 | Very low | 43.3 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | | | cis | 98.9 | 109.3 | 41.4 | -102.7 | -159.5 | 172.7 | -167.2 | 0 | 112.6 | | |
| 556 | E | 44.4 | Very low | 43.2 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | | | trans | 175 | 129.1 | 147.1 | -96.9 | 157 | -150.9 | 0 | 0 | 106.7 | | |
| 557 | A | 44.3 | Very low | 43.3 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | | 86 | 140.6 | 61.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 558 | E | 43.3 | Very low | 43.4 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | cis | -165.3 | 156.4 | -13.8 | -123.6 | -179 | 162.9 | 0 | 0 | 111.3 | | |
| 559 | S | 41.8 | Very low | 43.5 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | 62.2 | -178.5 | 160.4 | 80.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 560 | L | 43.7 | Very low | 43.6 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | | -172.6 | 116.3 | -83 | -102.5 | 168 | 0 | 0 | 0 | 111.6 | | |
| 561 | K | 42.3 | Very low | 43.1 | Very low | 192 Ų | 192 | 148 Ų | 148 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | 60.8 | -170.8 | 157.5 | -59.3 | 177.2 | 176.8 | 176 | 0 | 116.1 | | |
| 562 | P | 50.4 | Low | 42.6 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | cis | -125.9 | 174.7 | -30.3 | 21 | 0.8 | 0 | 0 | 0 | 113.7 | | |
| 563 | K | 46.5 | Very low | 42.6 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | | 170.2 | 159 | 115.8 | -93.2 | 171.4 | 179.8 | 176.7 | 0 | 114 | | |
| 564 | V | 38.2 | Very low | 42.6 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -135.4 | 141 | 173 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 565 | N | 42.3 | Very low | 42.5 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 156.1 | 157 | 157.8 | -87.1 | -8.1 | 0 | 0 | 0 | 111.5 | | |
| 566 | S | 40.2 | Very low | 42.1 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | | | cis | -175.2 | 153.6 | -24 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 567 | V | 42.3 | Very low | 42 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | 66.8 | 158.1 | 157 | -146.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 568 | F | 41.5 | Very low | 42 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | 80.5 | 137.3 | 162.4 | -62.1 | -78.2 | 0 | 0 | 0 | 119.5 | | |
| 569 | N | 41.6 | Very low | 42 | Very low | 120 Ų | 120 | 146 Ų | 146 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | cis | -164.6 | 155.5 | -28.4 | -136.9 | 4 | 0 | 0 | 0 | 114 | | |
| 570 | L | 40.7 | Very low | 42.3 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | 55.8 | 144.6 | 149.8 | -107.1 | 74 | 0 | 0 | 0 | 124.2 | | |
| 571 | R | 37.6 | Very low | 42.5 | Very low | 225 Ų | 225 | 147.3 Ų | 147.3 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | | | trans | 64.5 | 122.1 | 157.3 | -65.9 | 173.8 | 178.3 | 170.2 | -0.7 | 117.4 | | |
| 572 | A | 35.5 | Very low | 42.8 | Very low | 95 Ų | 95 | 147.5 Ų | 147.5 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | 84.1 | 86.5 | 25.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 573 | T | 42.5 | Very low | 42.8 | Very low | 139 Ų | 139 | 149 Ų | 149 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -155.5 | 121.1 | 145.1 | 25.6 | 0 | 0 | 0 | 0 | 106 | | |
| 574 | A | 43.6 | Very low | 43.3 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | cis | 93.9 | 127.6 | 40.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 575 | I | 43.7 | Very low | 44.4 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | trans | 64.1 | 105.4 | 157.9 | -56.6 | 161.7 | 0 | 0 | 0 | 117.3 | | |
| 576 | R | 37.2 | Very low | 44.9 | Very low | 242 Ų | 242 | 146.5 Ų | 146.5 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | trans | -96.1 | 115.7 | 141.4 | -76.5 | 178.4 | 173.5 | 171.3 | -2.5 | 107.9 | | |
| 577 | Q | 42.7 | Very low | 45.1 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 176.2 | 169.8 | 151.1 | -103.6 | 161.2 | -6.8 | 0 | 0 | 109.4 | | |
| 578 | H | 43.3 | Very low | 45.3 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 69 | 145.2 | -178.4 | -64 | -91.9 | 0 | 0 | 0 | 116.8 | | |
| 579 | L | 43.3 | Very low | 45.5 | Very low | 137 Ų | 137 | 150 Ų | 150 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | | | cis | -164.4 | 169.6 | -34.9 | -145.1 | 69.1 | 0 | 0 | 0 | 108.7 | | |
| 580 | V | 49.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | | | trans | 63.8 | 123.1 | 155.6 | 166.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 581 | E | 47.3 | Very low | 46 | Very low | 172 Ų | 172 | 153.6 Ų | 153.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -60.7 | 146.4 | 165.8 | -62.2 | 129.5 | 123.7 | 0 | 0 | 112.3 | | |
| 582 | F | 48.3 | Very low | 46.6 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -112.1 | 107.4 | 153 | -112.7 | -86.6 | 0 | 0 | 0 | 108.4 | | |
| 583 | V | 50.5 | Low | 47.4 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -122.6 | 119.9 | 155.5 | 177.7 | 0 | 0 | 0 | 0 | 105.5 | | |
| 584 | A | 57.1 | Low | 47.8 | Very low | 69 Ų | 69 | 153.7 Ų | 153.7 | 57% | 0.57 | 80% | 0.803 | S | S | * | * | | | trans | -105.9 | -173.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 585 | V | 61 | Low | 48.1 | Very low | 134 Ų | 134 | 159.4 Ų | 159.4 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | 80.9 | 118.2 | -169 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 586 | D | 53.6 | Low | 48.5 | Very low | 230 Ų | 230 | 159.6 Ų | 159.6 | 100% | 1.23 | 81% | 0.812 | S | S | * | * | | | cis | -60 | 0 | 2 | -61.9 | -57.8 | 0 | 0 | 0 | 115.7 | | |