| 1 | M | 39 | Very low | 42.2 | Very low | 246 Ų | 246 | 156.1 Ų | 156.1 | 100% | 1.212 | 79% | 0.787 | S | S | * | * | | | | 0 | 142.2 | 0 | -72.8 | 165.1 | 177.6 | 0 | 0 | 107.5 | | |
| 2 | E | 38.1 | Very low | 42 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -87.2 | 151.6 | 179.5 | -57.7 | 164.2 | 124.9 | 0 | 0 | 109.9 | | |
| 3 | Y | 37.7 | Very low | 42.6 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | -144.9 | 123.7 | 147.4 | -101.6 | -74.9 | 0 | 0 | 0 | 108.7 | | |
| 4 | M | 42.6 | Very low | 43.2 | Very low | 176 Ų | 176 | 142 Ų | 142 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83 | 148.7 | 177.1 | -66.8 | -160.1 | 73.2 | 0 | 0 | 111 | N6 | M4-N6 PolarHBondContact O-N 2.68Š|
| 5 | N | 37 | Very low | 42.7 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 130.4 | 166.5 | -109.3 | -62.8 | 0 | 0 | 0 | 109.6 | | |
| 6 | N | 48 | Very low | 43.1 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 122.7 | 179 | -153.1 | 13.8 | 0 | 0 | 0 | 108.9 | M4 | M4-N6 PolarHBondContact O-N 2.68Š|
| 7 | A | 41.9 | Very low | 43.1 | Very low | 57 Ų | 57 | 141.7 Ų | 141.7 | 47% | 0.471 | 79% | 0.792 | S | S | . | * | P | Polyproline II helix | trans | -77.4 | 126.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 8 | S | 46 | Very low | 42.9 | Very low | 88 Ų | 88 | 140 Ų | 140 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 147.8 | 164.9 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | V408 | S8-V408 WeakPolarHBondContact O-CG2 3.23Š|
| 9 | N | 41.6 | Very low | 42.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -106.9 | 139.7 | 163.8 | -89.2 | -14.9 | 0 | 0 | 0 | 109.5 | | |
| 10 | S | 46.1 | Very low | 42.6 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 43% | 0.427 | 78% | 0.775 | S | S | . | * | | | trans | -137 | 124.9 | 174 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | V408 | S10-V408 VanDerWaalsContact N-CG2 3.3Š|
| 11 | Y | 46.4 | Very low | 42.8 | Very low | 213 Ų | 213 | 135.9 Ų | 135.9 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -98.3 | 117.3 | 178.3 | -76.9 | -89.7 | 0 | 0 | 0 | 109.3 | | |
| 12 | G | 39.3 | Very low | 42.8 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -77.1 | 130.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G14 | G12-G14 PolarHBondContact O-N 2.68Š|
| 13 | S | 49.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -72.9 | 113 | 173.7 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 14 | G | 51.7 | Low | 42.7 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | trans | -164.8 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G12 T16 | G12-G14 PolarHBondContact O-N 2.68Å; G14-T16 PolarHBondContact O-N 3.14Å |
| 15 | D | 35.8 | Very low | 42.8 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | | | trans | -68.9 | 118.6 | -177.6 | -72.6 | -35.1 | 0 | 0 | 0 | 112.7 | V17 | D15-V17 VanDerWaalsContact C-N 3.33Å; D15-V17 PolarHBondContact O-N 3.26Å |
| 16 | T | 48.2 | Very low | 43 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | | | trans | -72.6 | 85.3 | 171.6 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | G14 S18 | G14-T16 PolarHBondContact O-N 3.14Å; T16-S18 PolarHBondContact O-N 3.19Å |
| 17 | V | 43.4 | Very low | 42.3 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -59.5 | 99.6 | 177.8 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | D15 A19 | D15-V17 VanDerWaalsContact C-N 3.33Å; D15-V17 PolarHBondContact O-N 3.26Å; V17-A19 PolarHBondContact O-N 3.17Å |
| 18 | S | 39.6 | Very low | 42.2 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -69.7 | 83 | 165.2 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | T16 S20 | T16-S18 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.29Å |
| 19 | A | 42.6 | Very low | 41.9 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 55% | 0.554 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 77.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 112 | V17 L21 | V17-A19 PolarHBondContact O-N 3.17Å; A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.38Å |
| 20 | S | 36.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -65.2 | 78.5 | 165.8 | -66.4 | 0 | 0 | 0 | 0 | 110.2 | S18 T22 | S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.29Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.43Å |
| 21 | L | 47.1 | Very low | 41.3 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -74.3 | 73.3 | -176 | -77.3 | 166.1 | 0 | 0 | 0 | 112.3 | A19 | A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.38Å |
| 22 | T | 38.9 | Very low | 40.7 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | -135.2 | 138 | 165.4 | 40.7 | 0 | 0 | 0 | 0 | 111.3 | S20 | S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.43Å |
| 23 | N | 38.8 | Very low | 40.6 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 68.2 | 66.7 | 164.9 | -49.4 | -19.6 | 0 | 0 | 0 | 117.6 | | |
| 24 | M | 34.4 | Very low | 39.8 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | trans | -115.3 | 104.3 | 145 | -78.5 | -163.6 | -71.5 | 0 | 0 | 109.8 | | |
| 25 | T | 44.8 | Very low | 38.9 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -88.1 | 125.5 | 169.5 | -60 | 0 | 0 | 0 | 0 | 108.7 | N27 | T25-N27 PolarHBondContact O-N 3.49Š|
| 26 | I | 41.5 | Very low | 38.8 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -73.1 | 118.5 | 175.9 | -60 | 168.8 | 0 | 0 | 0 | 108.6 | | |
| 27 | N | 34.3 | Very low | 38.1 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -177 | 97.3 | 152.1 | -103.9 | 5.7 | 0 | 0 | 0 | 109.4 | T25 | T25-N27 PolarHBondContact O-N 3.49Š|
| 28 | D | 39 | Very low | 37.6 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | | -168.8 | 136.6 | 108.8 | -157.4 | -11.1 | 0 | 0 | 0 | 108.4 | H30 | D28-H30 IonicContact OD1-CD2 3.83Å; D28-H30 IonicContact OD2-CD2 2.73Å |
| 29 | Q | 40 | Very low | 37.3 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -138.8 | 57.4 | -175.3 | -163.7 | 162.8 | 3.4 | 0 | 0 | 111.1 | H31 | Q29-H31 PolarHBondContact O-N 3.15Å; Q29-H31 VanDerWaalsContact O-N 3.09Å |
| 30 | H | 34.9 | Very low | 36.8 | Very low | 161 Ų | 161 | 151 Ų | 151 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -67 | 103.7 | 175.1 | -108.4 | -74.7 | 0 | 0 | 0 | 111.7 | D28 Q32 | D28-H30 IonicContact OD1-CD2 3.83Å; D28-H30 IonicContact OD2-CD2 2.73Å; H30-Q32 PolarHBondContact O-N 3.49Å |
| 31 | H | 40.5 | Very low | 36.8 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | | | trans | -66.8 | 127.8 | 165.3 | -76.1 | -90.5 | 0 | 0 | 0 | 110.2 | Q29 | Q29-H31 PolarHBondContact O-N 3.15Å; Q29-H31 VanDerWaalsContact O-N 3.09Å |
| 32 | Q | 33.7 | Very low | 36 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -112.9 | 91.6 | 157.8 | -72.5 | -171.7 | 5.7 | 0 | 0 | 107.9 | H30 N34 | H30-Q32 PolarHBondContact O-N 3.49Å; Q32-N34 PolarHBondContact O-N 2.82Å |
| 33 | E | 37.7 | Very low | 35.8 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -86.3 | 105.1 | 170.6 | 58.7 | -167 | 153.1 | 0 | 0 | 110 | | |
| 34 | N | 33.2 | Very low | 35.5 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | trans | -75.1 | 127.3 | 164.7 | -80.6 | -78.5 | 0 | 0 | 0 | 108.1 | Q32 | Q32-N34 PolarHBondContact O-N 2.82Š|
| 35 | G | 31.9 | Very low | 35.3 | Very low | 78 Ų | 78 | 150.7 Ų | 150.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -71.1 | 155.1 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 36 | V | 33.6 | Very low | 34.9 | Very low | 133 Ų | 133 | 149.9 Ų | 149.9 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | trans | -108.7 | 110.8 | 163.7 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | M38 | V36-M38 PolarHBondContact O-N 3.47Š|
| 37 | K | 33 | Very low | 34.5 | Very low | 203 Ų | 203 | 150.4 Ų | 150.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -62.7 | 130 | 162.8 | -95.4 | -168.4 | 168.7 | -162.4 | 0 | 108.8 | | |
| 38 | M | 32.9 | Very low | 34.5 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -148.2 | 123.9 | 154 | -98.3 | -56.9 | -174.3 | 0 | 0 | 112.1 | V36 | V36-M38 PolarHBondContact O-N 3.47Š|
| 39 | K | 33.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | 65 | 107.9 | 156.7 | -59 | -168.2 | 174.5 | -168.6 | 0 | 119.1 | | |
| 40 | D | 32.4 | Very low | 33.7 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -65.6 | 141.2 | 153.1 | -34.2 | -98.7 | 0 | 0 | 0 | 110.3 | | |
| 41 | E | 37.2 | Very low | 33.5 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -143 | 138.3 | 162.2 | -80.9 | -68.3 | 169.8 | 0 | 0 | 106.3 | | |
| 42 | E | 30.1 | Very low | 32.8 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -81.7 | 134.5 | -172.5 | -75.4 | -169.2 | 106 | 0 | 0 | 113.7 | | |
| 43 | A | 33.9 | Very low | 32.4 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -145 | 132 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 44 | V | 31.9 | Very low | 31.9 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | | | trans | -110.8 | 162.2 | -169.8 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 45 | V | 31 | Very low | 31.6 | Very low | 128 Ų | 128 | 144 Ų | 144 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 65.4 | 141.8 | 176 | -109.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 46 | T | 35.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | -141.8 | 153.8 | 10.4 | -45 | 0 | 0 | 0 | 0 | 112.8 | | |
| 47 | E | 33.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | -50.2 | 143.6 | 164.5 | 171.1 | 178.7 | -150.7 | 0 | 0 | 115 | | |
| 48 | N | 34.7 | Very low | 31.4 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | | -178.4 | 151.8 | 129.4 | -99 | -67.1 | 0 | 0 | 0 | 111.3 | | |
| 49 | G | 29.4 | Very low | 31.8 | Very low | 63 Ų | 63 | 144.6 Ų | 144.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | | | trans | -144.2 | -158.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 50 | L | 32 | Very low | 31.5 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | 76.8 | 115.2 | -173.3 | -53.8 | 167.3 | 0 | 0 | 0 | 113 | | |
| 51 | K | 30.2 | Very low | 31.5 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | | 76.2 | 105.8 | 70.4 | -74.7 | -169.8 | 178.5 | -172 | 0 | 113.2 | | |
| 52 | T | 27.2 | Very low | 31.1 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | | 96.6 | 154.9 | 78.7 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 53 | V | 25.3 | Very low | 31.1 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | 69.7 | 127.8 | -172 | -54 | 0 | 0 | 0 | 0 | 114.4 | | |
| 54 | C | 27.3 | Very low | 30.9 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | | 70.1 | 137.8 | 57.6 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 55 | E | 25.9 | Very low | 30.9 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | cis | -146.6 | 178.5 | 40.4 | -153.8 | 165.5 | 145.2 | 0 | 0 | 114.2 | | |
| 56 | L | 31.6 | Very low | 30.9 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -89.1 | 156 | 172.6 | -74.3 | 77 | 0 | 0 | 0 | 111.1 | | |
| 57 | S | 30.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -160.8 | 135.6 | 136.2 | -102.7 | 0 | 0 | 0 | 0 | 112 | | |
| 58 | Q | 31.6 | Very low | 30.9 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -97.9 | 171.9 | 156.5 | -62.8 | -176.4 | -67.8 | 0 | 0 | 108.7 | | |
| 59 | P | 42.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | | -139.6 | -159.4 | 103.3 | 39.2 | -26 | 0 | 0 | 0 | 113.5 | | |
| 60 | E | 27.7 | Very low | 31.8 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -113.6 | 146 | -150.3 | -57.8 | 164.6 | 96.7 | 0 | 0 | 115.5 | | |
| 61 | S | 31.8 | Very low | 31.8 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | 73.5 | 157.1 | 136.4 | 75.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 62 | N | 27.8 | Very low | 31.6 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | 75.3 | 142.9 | 154.1 | -59.2 | -20.9 | 0 | 0 | 0 | 119.1 | | |
| 63 | Q | 30.3 | Very low | 31.7 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | cis | -167.1 | 125.3 | -15.9 | -177.1 | 172.5 | -21.3 | 0 | 0 | 111.8 | | |
| 64 | Y | 30.5 | Very low | 32 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 61.2 | 161.7 | 156.3 | -88.6 | -106.9 | 0 | 0 | 0 | 123.3 | | |
| 65 | D | 32.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | 66 | 149.9 | 163 | -48.9 | -34.1 | 0 | 0 | 0 | 118.6 | | |
| 66 | D | 31.1 | Very low | 32.8 | Very low | 148 Ų | 148 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | cis | -146.7 | 178.6 | 1.8 | -155.9 | 11 | 0 | 0 | 0 | 114.4 | | |
| 67 | E | 34.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 132 Ų | 132 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | | | trans | -42.5 | 151.9 | 178.6 | -138.1 | -177.5 | 92.6 | 0 | 0 | 119.3 | | |
| 68 | L | 34.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | | -172.8 | 142 | 111.9 | -97.5 | 170.6 | 0 | 0 | 0 | 113.8 | | |
| 69 | H | 32.5 | Very low | 32.8 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -110.3 | -164 | 178.8 | -83.6 | -92.5 | 0 | 0 | 0 | 109.7 | | |
| 70 | P | 51.4 | Low | 32.1 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | cis | -136.5 | -166.7 | -3.6 | 34.8 | -11.2 | 0 | 0 | 0 | 116 | | |
| 71 | A | 31.7 | Very low | 32.2 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | | | trans | 77.8 | 145.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 72 | G | 26.8 | Very low | 32.3 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | cis | 159 | 157.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 73 | G | 27.5 | Very low | 32.4 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | trans | 107.9 | 146.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 74 | A | 31.6 | Very low | 32.5 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -117.9 | 165.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 75 | S | 32 | Very low | 32.6 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | 70.4 | 108.1 | 146.9 | -171.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 76 | S | 38.4 | Very low | 32.7 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | | 32.6 | 123 | 123.8 | -168.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 77 | T | 31.1 | Very low | 32.9 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | | | | -159.1 | 169.5 | 129.5 | 4.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 78 | A | 31.5 | Very low | 32.7 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -114.6 | 156.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 79 | Q | 32.7 | Very low | 32.9 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -177.8 | 167.1 | 154.6 | -102.3 | 174 | 72.7 | 0 | 0 | 108.6 | | |
| 80 | V | 28 | Very low | 32.7 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | | | cis | -162.8 | 150.1 | -41.9 | 124.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 81 | R | 29.9 | Very low | 31.6 | Very low | 206 Ų | 206 | 126.9 Ų | 126.9 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | trans | -5.7 | 138.4 | 166.7 | -54.7 | 173 | 179.4 | 161.6 | -3.1 | 119.9 | | |
| 82 | T | 32.2 | Very low | 31.4 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | | | trans | -112.5 | 154.9 | 132.7 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 83 | N | 31.6 | Very low | 31.5 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | trans | -124.6 | 150.1 | -170.7 | -67.8 | -27.5 | 0 | 0 | 0 | 112.3 | | |
| 84 | N | 31.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | 60.2 | 142.8 | 154.4 | -57.7 | -4.2 | 0 | 0 | 0 | 119 | | |
| 85 | G | 33.3 | Very low | 33.2 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | cis | 138.5 | 156.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 86 | D | 32.7 | Very low | 33.4 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | | | trans | -159.4 | 155.9 | 171.3 | -142 | -16.9 | 0 | 0 | 0 | 115.9 | | |
| 87 | K | 35.6 | Very low | 33 | Very low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | | | trans | 36.6 | 102 | 162.3 | -73.4 | 136.7 | -161.6 | 154.7 | 0 | 122.7 | | |
| 88 | S | 31.1 | Very low | 33.2 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | | 47.9 | 116 | 110.5 | -165.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 89 | Q | 37.9 | Very low | 33.2 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | | -162.6 | 173.4 | 103.1 | -104.3 | 178 | 78.7 | 0 | 0 | 111.4 | | |
| 90 | T | 27.8 | Very low | 33.2 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -133.3 | 171.5 | -151.6 | -45.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 91 | V | 28.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | trans | 102.4 | 85.1 | 158.8 | -172.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 92 | T | 28 | Very low | 34.4 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | | 86.5 | 148.4 | 116.3 | -57 | 0 | 0 | 0 | 0 | 123.4 | | |
| 93 | T | 29.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | 71.9 | 108 | 162.4 | 32.8 | 0 | 0 | 0 | 0 | 122 | | |
| 94 | P | 54.2 | Low | 34.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | | -78.4 | 163.3 | 117.6 | 37.3 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 95 | P | 40 | Very low | 34.4 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | | | | -153.7 | -171 | 106.6 | 40.4 | -21.9 | 0 | 0 | 0 | 116.2 | | |
| 96 | S | 36.1 | Very low | 34.2 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 57% | 0.566 | 77% | 0.77 | S | S | * | * | | | trans | -68 | 179.6 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 97 | Y | 29.1 | Very low | 34 | Very low | 212 Ų | 212 | 139.8 Ų | 139.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | | -165.3 | 157.3 | 77.6 | -84.8 | -75.4 | 0 | 0 | 0 | 114.6 | | |
| 98 | L | 35.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | | | trans | -74 | 143.8 | 173.3 | -72 | 160.1 | 0 | 0 | 0 | 112.9 | | |
| 99 | K | 31.5 | Very low | 34.1 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | | | trans | -138 | 124.4 | 155.9 | -83.7 | -176.3 | 177.7 | 171.9 | 0 | 112.7 | | |
| 100 | R | 33.9 | Very low | 34.4 | Very low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -158.6 | 135.9 | 172.9 | 169.8 | -176.8 | -88.6 | -96.6 | 3 | 102.7 | | |
| 101 | P | 52.9 | Low | 34.8 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | | -151.2 | 169.7 | 58.3 | 42.2 | -23.3 | 0 | 0 | 0 | 118.3 | | |
| 102 | T | 28.6 | Very low | 34.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | | -165.6 | 124.1 | 123.8 | 29.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 103 | V | 33.3 | Very low | 35.3 | Very low | 125 Ų | 125 | 142 Ų | 142 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | | | | 36.2 | 139.8 | 91.5 | -56.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 104 | V | 32.8 | Very low | 35.7 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | cis | -130.9 | -180 | 28.2 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 105 | A | 30.3 | Very low | 35.5 | Very low | 85 Ų | 85 | 147 Ų | 147 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | | | trans | -114.6 | -178.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 106 | K | 29.8 | Very low | 35.5 | Very low | 211 Ų | 211 | 150.1 Ų | 150.1 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | | | trans | 86.3 | 133 | 169.4 | -59.2 | -177.6 | 177.3 | 178.6 | 0 | 118.2 | | |
| 107 | G | 28.5 | Very low | 35.4 | Very low | 72 Ų | 72 | 149.4 Ų | 149.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | 83.4 | 139.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 108 | N | 32.7 | Very low | 35.6 | Very low | 172 Ų | 172 | 148.4 Ų | 148.4 | 92% | 0.92 | 83% | 0.826 | S | S | * | * | | | cis | -145.5 | 168.4 | -8 | -118.5 | -3.2 | 0 | 0 | 0 | 110.7 | | |
| 109 | R | 34.6 | Very low | 36 | Very low | 235 Ų | 235 | 145 Ų | 145 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -66.2 | 142.2 | 176.8 | -66.3 | 173.1 | 176.4 | 152.4 | -3.1 | 111.3 | | |
| 110 | T | 44.5 | Very low | 36.5 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 2.8 | 122.9 | 156.1 | 54.6 | 0 | 0 | 0 | 0 | 118.7 | | |
| 111 | P | 36.8 | Very low | 36.9 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | -102.8 | 155.4 | 123.9 | 34 | -30.2 | 0 | 0 | 0 | 109.4 | | |
| 112 | G | 28.2 | Very low | 37.3 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | cis | 124.9 | 65.1 | 14.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | S114 | G112-S114 PolarHBondContact O-N 3.33Š|
| 113 | S | 39.5 | Very low | 37.6 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -81.5 | 100.1 | 177.4 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 114 | S | 37.6 | Very low | 37.8 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | -111.3 | 139.5 | 165.5 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | G112 | G112-S114 PolarHBondContact O-N 3.33Š|
| 115 | R | 48.3 | Very low | 37.9 | Very low | 230 Ų | 230 | 139.2 Ų | 139.2 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -82.2 | 152.6 | 169.1 | -62 | 169.8 | 177.9 | 118.9 | -1.5 | 108.2 | | |
| 116 | N | 40.6 | Very low | 38.2 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -66.2 | 142.8 | 161.7 | -66.8 | -8.1 | 0 | 0 | 0 | 108.4 | | |
| 117 | G | 33.7 | Very low | 38.4 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | -144.9 | -161 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 118 | H | 34.8 | Very low | 38.9 | Very low | 191 Ų | 191 | 139 Ų | 139 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | | | trans | -141.8 | 129.1 | 173.3 | -114.1 | -96.1 | 0 | 0 | 0 | 113.3 | | |
| 119 | S | 42.2 | Very low | 39.7 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | trans | 45.8 | 110 | 153.8 | 58.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 120 | S | 42.4 | Very low | 39.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | | 86.4 | 110.7 | 115.6 | 68 | 0 | 0 | 0 | 0 | 123.8 | | |
| 121 | I | 42 | Very low | 40.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | 85 | 119.6 | 135.4 | -60.8 | 167.2 | 0 | 0 | 0 | 118.8 | | |
| 122 | P | 62.2 | Low | 40 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | trans | -122.2 | 173 | 178.8 | 43.2 | -33.1 | 0 | 0 | 0 | 114.8 | | |
| 123 | I | 35 | Very low | 40.4 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -143.9 | 149.8 | 143.9 | 5.1 | -176.1 | 0 | 0 | 0 | 115.4 | | |
| 124 | K | 38.2 | Very low | 40.9 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -53.6 | 170.7 | 178 | -120.8 | 178.9 | 178.8 | -178.5 | 0 | 114.8 | | |
| 125 | A | 34.1 | Very low | 40.6 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 60% | 0.603 | 80% | 0.796 | S | S | * | * | | | cis | -162.2 | 157.5 | 12.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 126 | T | 36.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | 29.1 | 146.4 | 130.7 | 64.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 127 | T | 34.6 | Very low | 39.2 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -164.4 | 164 | 12.7 | -3.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 128 | S | 37.4 | Very low | 38.9 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -95.8 | -174.5 | 169.2 | -28.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 129 | P | 51 | Low | 38.9 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | cis | -138.9 | -168.9 | 16.9 | 42 | -20 | 0 | 0 | 0 | 117.3 | | |
| 130 | G | 31.8 | Very low | 38.3 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | -96.4 | -145.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 131 | P | 56.9 | Low | 38 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | cis | -148.3 | -173.6 | 6.8 | 44.1 | -23.6 | 0 | 0 | 0 | 118.9 | | |
| 132 | R | 33.9 | Very low | 38.2 | Very low | 251 Ų | 251 | 127 Ų | 127 | 95% | 0.947 | 81% | 0.813 | S | S | * | * | | | trans | 91.7 | 162.3 | 149.2 | -119.4 | -179.5 | -178.9 | -149.2 | -0.7 | 123.1 | | |
| 133 | Q | 36 | Very low | 36.7 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -99 | -171.5 | -167.3 | -114.8 | -174.9 | -43.9 | 0 | 0 | 113.1 | | |
| 134 | P | 50.3 | Low | 36.6 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | cis | -143.8 | 176.5 | 9.7 | 42.4 | -22.5 | 0 | 0 | 0 | 119.7 | | |
| 135 | G | 30 | Very low | 36.2 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | | | trans | 82.4 | 156.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 136 | G | 29.8 | Very low | 35.9 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | cis | 172.2 | 157.4 | -11 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 137 | A | 31.3 | Very low | 35.7 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 98% | 0.975 | 82% | 0.824 | S | S | * | * | | | trans | 68.3 | 149.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 138 | G | 27.4 | Very low | 35.6 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | 150.7 | 127.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 139 | A | 33.3 | Very low | 35.4 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | | | trans | -142.9 | 139.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 140 | A | 29.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | | | trans | -171.6 | 149.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 141 | K | 36.3 | Very low | 34.4 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 88% | 0.883 | 83% | 0.825 | S | S | * | * | | | trans | -144 | 157 | 158.5 | -112.7 | -174 | -179.4 | -178.8 | 0 | 105.1 | | |
| 142 | P | 45.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 83% | 0.828 | S | S | * | * | | | | -153.3 | -165.5 | 53.1 | 39.1 | -15.8 | 0 | 0 | 0 | 116.2 | | |
| 143 | Q | 31.7 | Very low | 33.3 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | 74.6 | 149.7 | 145.5 | -149.7 | 165.9 | -30.3 | 0 | 0 | 118 | | |
| 144 | V | 31.9 | Very low | 33.1 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | | | cis | -164.3 | 171.3 | -45.7 | 120.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 145 | Q | 30.9 | Very low | 32.2 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | 70.2 | 152.8 | -179.9 | -66.8 | 156.5 | 25.8 | 0 | 0 | 115.4 | | |
| 146 | G | 26.7 | Very low | 32.5 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | cis | 153.9 | 119 | -13.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 147 | A | 32.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | | | trans | -151.6 | 153.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 148 | K | 32.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 129.2 Ų | 129.2 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | | | trans | -138.2 | 140.7 | 177.9 | -72.2 | 179.5 | 178.5 | 174.7 | 0 | 111.6 | | |
| 149 | T | 33.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -142.2 | 129.2 | 146.5 | 45.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 150 | T | 32.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | | 65.3 | 121.2 | 52.9 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 151 | A | 30.1 | Very low | 33.7 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | cis | -152 | 156.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 152 | R | 35.4 | Very low | 33.5 | Very low | 237 Ų | 237 | 135.4 Ų | 135.4 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | | | | 61 | 131.2 | 86 | -154.4 | 173.1 | -174.1 | -156.1 | 3 | 113.3 | | |
| 153 | S | 32.2 | Very low | 33.5 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | cis | -162.9 | 158.6 | 9.6 | -127.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 154 | A | 31.3 | Very low | 34.1 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 57.4 | 165.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 155 | A | 30.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | cis | -148.9 | 171 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 156 | Q | 36.1 | Very low | 35.1 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -94.7 | 178.9 | 161.3 | -90.1 | -170.1 | -31.9 | 0 | 0 | 110 | | |
| 157 | P | 46.5 | Very low | 35.5 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | cis | -143.2 | -173.6 | 17.7 | 43.9 | -23.7 | 0 | 0 | 0 | 118 | | |
| 158 | A | 33.1 | Very low | 35.4 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | trans | 36.6 | 136.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 159 | S | 30.8 | Very low | 35.4 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | | -172.3 | 176 | 75.3 | -68.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 160 | A | 35.7 | Very low | 35.5 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -103.4 | 154.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 161 | K | 32 | Very low | 35.5 | Very low | 215 Ų | 215 | 136 Ų | 136 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | | | trans | -179 | 168.6 | 137.3 | -101.4 | 163.5 | -175.1 | 179.2 | 0 | 113.8 | | |
| 162 | K | 32.5 | Very low | 35.8 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | -159.9 | 165 | -176.2 | -165.4 | -126 | -175.6 | 178.2 | 0 | 108 | | |
| 163 | P | 45.4 | Very low | 35.8 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | | | cis | -106.5 | -163.3 | -36 | 39.4 | -25.3 | 0 | 0 | 0 | 111.4 | | |
| 164 | P | 43.2 | Very low | 36 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | | -138.5 | 170.8 | 129.4 | 39.4 | -29.1 | 0 | 0 | 0 | 115.1 | | |
| 165 | T | 37.8 | Very low | 36 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -146.2 | 137.1 | 171.5 | 49 | 0 | 0 | 0 | 0 | 112.9 | | |
| 166 | P | 46.8 | Very low | 36.2 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -128.3 | 144.9 | 141.8 | 11.8 | 10.3 | 0 | 0 | 0 | 110.3 | | |
| 167 | K | 35.4 | Very low | 36.1 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | cis | 94.6 | 123.1 | 47.6 | -84.3 | -165.6 | 174.6 | -174.1 | 0 | 114.4 | | |
| 168 | N | 30.4 | Very low | 35.5 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | 66 | 153.9 | 164.4 | -72.4 | 30.6 | 0 | 0 | 0 | 117.7 | | |
| 169 | E | 31.7 | Very low | 36 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | cis | -153.3 | 168.1 | -0.9 | -131.3 | 165.5 | 116.1 | 0 | 0 | 112 | | |
| 170 | K | 35.3 | Very low | 36 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 70% | 0.7 | 79% | 0.789 | S | S | * | * | | | trans | 33.1 | 144.9 | 149.9 | -75.4 | 163.3 | -173.7 | 155.6 | 0 | 121.3 | | |
| 171 | D | 33.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | cis | -164.1 | 177 | 26.5 | -126.4 | -38 | 0 | 0 | 0 | 115.2 | | |
| 172 | A | 36.3 | Very low | 37 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | trans | -27.1 | 137.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 173 | R | 35.2 | Very low | 37.3 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | | | | -177.7 | 144.9 | 113.8 | -107.4 | 178.7 | 169.2 | 168.5 | -2.8 | 114.8 | | |
| 174 | S | 36 | Very low | 36.7 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | 51.6 | 132.2 | 168.8 | 45 | 0 | 0 | 0 | 0 | 117.7 | | |
| 175 | G | 32.3 | Very low | 36.8 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | 112.5 | 132 | 30.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 176 | Q | 34.7 | Very low | 36.5 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | cis | -135.8 | 169.1 | 8.3 | -65.9 | 167.3 | -83.6 | 0 | 0 | 111.3 | | |
| 177 | S | 33.3 | Very low | 36 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 152.7 | -176.2 | -45 | 0 | 0 | 0 | 0 | 114 | | |
| 178 | S | 33.2 | Very low | 35.9 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 144.7 | 152.4 | -67.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 179 | P | 43.3 | Very low | 35.9 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78 | 145.1 | -168.7 | 30.7 | -35.8 | 0 | 0 | 0 | 113.4 | | |
| 180 | G | 31.6 | Very low | 36.1 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 165.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 181 | T | 46.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 132 Ų | 132 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 148.7 | 169.9 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 182 | P | 42.3 | Very low | 35.9 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 159.6 | -173.3 | 31 | -36 | 0 | 0 | 0 | 113.2 | | |
| 183 | K | 38.5 | Very low | 35.8 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | | | trans | -135.2 | 122.2 | -174.4 | -176.9 | -174.3 | -172.5 | -178.8 | 0 | 110.1 | | |
| 184 | S | 33.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | 167.5 | 163.6 | 157.9 | -85.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 185 | P | 44.9 | Very low | 35.7 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | cis | -123.3 | 168.3 | -25.9 | 35.3 | -20.5 | 0 | 0 | 0 | 112.3 | | |
| 186 | G | 30.7 | Very low | 36.1 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -153.4 | 105.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 187 | S | 36.6 | Very low | 36.3 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | | | trans | -121.6 | 123 | -166.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 188 | Q | 33.2 | Very low | 36.6 | Very low | 198 Ų | 198 | 128.8 Ų | 128.8 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | 66.9 | 162.4 | 164.4 | -56 | 173.5 | -4.6 | 0 | 0 | 114.3 | | |
| 189 | A | 31.6 | Very low | 36.9 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | | | cis | -134.6 | -161.1 | 8.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 190 | L | 34.2 | Very low | 36.8 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -105.5 | -175.1 | -168.4 | -66.1 | 165.8 | 0 | 0 | 0 | 113.6 | | |
| 191 | S | 32.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | 79 | 132.5 | 179.8 | 74.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 192 | A | 32.9 | Very low | 36.7 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | | | cis | 101.9 | 127 | 8.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 193 | A | 35.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | 65.6 | 160.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 194 | E | 32.5 | Very low | 36.3 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | | | cis | -155.5 | 166.7 | -3.7 | -163.2 | 45.9 | -159.5 | 0 | 0 | 111.6 | | |
| 195 | A | 35.5 | Very low | 36.7 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 81% | 0.809 | S | S | * | * | | | trans | 45.4 | 122 | 155.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 196 | N | 39.8 | Very low | 37 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -71.2 | 148 | 150.7 | -95.7 | -107.1 | 0 | 0 | 0 | 111.8 | | |
| 197 | K | 40.3 | Very low | 37.7 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | | 171.8 | 110.6 | 109.5 | -92.7 | 178.1 | -175.4 | 178 | 0 | 116.1 | | |
| 198 | V | 38.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | | | | 31.1 | 123.9 | 127.9 | -173.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 199 | K | 38.8 | Very low | 38.4 | Very low | 199 Ų | 199 | 143 Ų | 143 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -168.2 | 148.8 | 130.6 | -109.1 | 158.9 | -172.6 | 175.6 | 0 | 116 | | |
| 200 | K | 43 | Very low | 38.7 | Very low | 205 Ų | 205 | 143.7 Ų | 143.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | 77.4 | 136.5 | 165.5 | -73.4 | -174.5 | 172.6 | -178.6 | 0 | 120.7 | | |
| 201 | V | 39.2 | Very low | 39.4 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -100.2 | 162.6 | 173.9 | -150.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 202 | A | 35.6 | Very low | 39.7 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | cis | -166.9 | -176.7 | 34.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 203 | V | 36 | Very low | 40 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | 74.6 | 109.9 | 160.5 | -177.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 204 | V | 37.1 | Very low | 40.3 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | 31.1 | 116.7 | 140.5 | -171.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 205 | R | 41.8 | Very low | 40.8 | Very low | 249 Ų | 249 | 143.4 Ų | 143.4 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | trans | -136.5 | 122.8 | 142.3 | -75 | -165.3 | 170.6 | 104.8 | 1.4 | 111.2 | | |
| 206 | S | 50.9 | Low | 41 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 168.9 | 165.1 | 46.1 | 0 | 0 | 0 | 0 | 111 | | |
| 207 | N | 45.8 | Very low | 41 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 127.5 | -166.5 | -53.2 | 29.6 | 0 | 0 | 0 | 113.5 | | |
| 208 | P | 43.9 | Very low | 41.2 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.4 | 165.7 | 31.8 | -33.7 | 0 | 0 | 0 | 111 | | |
| 209 | K | 40.9 | Very low | 41.7 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -119.5 | 136.3 | 173.8 | -78.6 | 168.8 | 174.5 | 170.4 | 0 | 110.1 | | |
| 210 | S | 37.1 | Very low | 42.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 47 | 128.3 | 151 | -46.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 211 | P | 48.2 | Very low | 42.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 156 | 137.7 | 35.5 | -30.5 | 0 | 0 | 0 | 110 | | |
| 212 | G | 39.2 | Very low | 42.5 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | -149.3 | 135.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 213 | S | 40.8 | Very low | 43 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 55.1 | 127.6 | 162.7 | -162.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 214 | L | 40.6 | Very low | 43.9 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | | -174.2 | 168.5 | 120.5 | -101.7 | 172.4 | 0 | 0 | 0 | 112.1 | | |
| 215 | K | 44.2 | Very low | 44.7 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | 69.6 | 82.1 | 167.7 | -100.3 | 70.1 | 178.5 | -172.1 | 0 | 118.9 | | |
| 216 | S | 37.9 | Very low | 45.9 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | | 52 | 130.7 | 115.7 | 65.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 217 | R | 40 | Very low | 46.7 | Very low | 239 Ų | 239 | 128.8 Ų | 128.8 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | | | trans | 83.2 | 106.4 | 133.2 | -173.4 | 172.5 | 168.2 | -157.9 | -3.9 | 119.4 | | |
| 218 | S | 45.3 | Very low | 47.9 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -58.8 | 167.8 | 157.3 | 34 | 0 | 0 | 0 | 0 | 113.5 | | |
| 219 | P | 48.5 | Very low | 49.2 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | cis | -141.6 | -172.8 | 33.9 | 42.9 | -22 | 0 | 0 | 0 | 119.3 | | |
| 220 | A | 48.3 | Very low | 50.6 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -60.5 | -173.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 221 | P | 52.2 | Low | 52.1 | Low | 118 Ų | 118 | 125.2 Ų | 125.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | cis | -139.2 | 173.4 | 5 | 43.4 | -26.4 | 0 | 0 | 0 | 117.4 | | |
| 222 | L | 38.8 | Very low | 53 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 90% | 0.901 | 78% | 0.776 | S | S | * | * | | | trans | -170.6 | 147.2 | 142.2 | -108.4 | 157.8 | 0 | 0 | 0 | 112.5 | | |
| 223 | A | 44.9 | Very low | 54.4 | Low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | 55.9 | 121.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 224 | A | 54.9 | Low | 55.8 | Low | 109 Ų | 109 | 130 Ų | 130 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 133.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 225 | A | 54.2 | Low | 57.2 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 136.3 | 158 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 226 | A | 68 | Low | 58.5 | Low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 137.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 227 | P | 68.1 | Low | 60 | Low | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 139.2 | 177 | 28.1 | -34.1 | 0 | 0 | 0 | 111 | | |
| 228 | L | 69.3 | Low | 61.2 | Low | 164 Ų | 164 | 129 Ų | 129 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141.4 | 175.7 | -68.4 | 163.9 | 0 | 0 | 0 | 110.6 | D230 | L228-D230 PolarHBondContact O-N 2.97Š|
| 229 | P | 71.1 | Confident | 62 | Low | 107 Ų | 107 | 126.1 Ų | 126.1 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 133.7 | -177.5 | 27.2 | -34.6 | 0 | 0 | 0 | 111.5 | L231 | P229-L231 PolarHBondContact O-N 2.87Å; P229-L231 VanDerWaalsContact O-N 3.15Å |
| 230 | D | 70.7 | Confident | 62.5 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 52% | 0.524 | 75% | 0.75 | S | S | . | * | | | trans | -75.8 | 105.4 | -176.7 | -165.3 | -3.6 | 0 | 0 | 0 | 112.1 | L228 K232 | L228-D230 PolarHBondContact O-N 2.97Å; D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 VanDerWaalsContact O-N 3.14Å; D230-K232 VanDerWaalsContact OD1-CG 3.23Å; D230-K232 WeakPolarHBondContact OD1-CG 3.5Å; D230-K232 PolarHBondContact OD1-N 3.15Å; D230-K232 IonicContact OD1-NZ 2.68Å; D230-K232 PolarHBondContact OD1-NZ 3.08Å; D230-K232 IonicContact OD2-NZ 2.68Å; D230-K232 PolarHBondContact OD2-NZ 3.48Å |
| 231 | L | 69.1 | Low | 63.3 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -66.6 | -11.5 | -177.3 | -64.7 | 176.7 | 0 | 0 | 0 | 114.3 | P229 N233 V234 | P229-L231 PolarHBondContact O-N 2.87Å; P229-L231 VanDerWaalsContact O-N 3.15Å; L231-N233 PolarHBondContact O-N 2.92Å; L231-V234 HydrophobicContact CD2-CG2 4.11Å; L231-V234 WeakPolarHBondContact O-CG2 3.39Å; L231-V234 PolarHBondContact O-N 3.09Å |
| 232 | K | 68.1 | Low | 63.9 | Low | 164 Ų | 164 | 125.5 Ų | 125.5 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -61.5 | -25.6 | -176.9 | -64.8 | 177.8 | -150.3 | 80.4 | 0 | 114.1 | D230 | D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 VanDerWaalsContact O-N 3.14Å; D230-K232 VanDerWaalsContact OD1-CG 3.23Å; D230-K232 WeakPolarHBondContact OD1-CG 3.5Å; D230-K232 PolarHBondContact OD1-N 3.15Å; D230-K232 IonicContact OD1-NZ 2.68Å; D230-K232 PolarHBondContact OD1-NZ 3.08Å; D230-K232 IonicContact OD2-NZ 2.68Å; D230-K232 PolarHBondContact OD2-NZ 3.48Å |
| 233 | N | 67.5 | Low | 64.9 | Low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -113.9 | 20.4 | -172.8 | -69.8 | 25.9 | 0 | 0 | 0 | 113.6 | L231 R235 | L231-N233 PolarHBondContact O-N 2.92Å; N233-R235 VanDerWaalsContact C-N 3.33Å; N233-R235 PolarHBondContact O-N 2.99Å |
| 234 | V | 71.2 | Confident | 65.8 | Low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | -75 | 81.4 | -178.6 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | L231 | L231-V234 HydrophobicContact CD2-CG2 4.11Å; L231-V234 WeakPolarHBondContact O-CG2 3.39Å; L231-V234 PolarHBondContact O-N 3.09Å |
| 235 | R | 69.8 | Low | 66.4 | Low | 223 Ų | 223 | 129.2 Ų | 129.2 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | | | trans | -84.3 | 133.8 | 169.7 | -174.1 | 173.5 | 179 | 168.8 | -0.7 | 110.2 | N233 K237 | N233-R235 VanDerWaalsContact C-N 3.33Å; N233-R235 PolarHBondContact O-N 2.99Å; R235-K237 PolarHBondContact O-N 2.81Å |
| 236 | S | 70 | Confident | 67 | Low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | trans | -60.4 | 124.8 | 176.1 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | V238 | S236-V238 PolarHBondContact O-N 3.41Š|
| 237 | K | 69.8 | Low | 67.2 | Low | 215 Ų | 215 | 135.7 Ų | 135.7 | 94% | 0.935 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -79 | -2.3 | 174.1 | -70.4 | -164.7 | 175.4 | -172.3 | 0 | 114.2 | R235 | R235-K237 PolarHBondContact O-N 2.81Š|
| 238 | V | 66.3 | Low | 66.9 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -90.7 | 121.8 | 170.5 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | S236 S240 | S236-V238 PolarHBondContact O-N 3.41Å; V238-S240 PolarHBondContact O-N 3.23Å |
| 239 | G | 62.4 | Low | 66.5 | Low | 45 Ų | 45 | 130.6 Ų | 130.6 | 46% | 0.464 | 71% | 0.71 | S | S | . | * | | | trans | -73.2 | 48.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | T241 D242 | G239-T241 PolarHBondContact O-N 3.42Å; G239-D242 WeakPolarHBondContact CA-OD2 2.77Å; G239-D242 PolarHBondContact O-N 3.48Å |
| 240 | S | 58.2 | Low | 65.6 | Low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -2.7 | -171.4 | -168.7 | 0 | 0 | 0 | 0 | 114.4 | V238 | V238-S240 PolarHBondContact O-N 3.23Š|
| 241 | T | 64.1 | Low | 64.7 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 63% | 0.632 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -17.3 | -178.8 | 41.9 | 0 | 0 | 0 | 0 | 113.6 | G239 N243 L244 | G239-T241 PolarHBondContact O-N 3.42Å; T241-N243 PolarHBondContact O-N 2.93Å; T241-N243 VanDerWaalsContact O-N 3.08Å; T241-L244 PolarHBondContact O-N 3.2Å |
| 242 | D | 65.3 | Low | 64.2 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -2.1 | -151.2 | -55.1 | -18.7 | 0 | 0 | 0 | 113.5 | G239 | G239-D242 WeakPolarHBondContact CA-OD2 2.77Å; G239-D242 PolarHBondContact O-N 3.48Å |
| 243 | N | 60.5 | Low | 63.9 | Low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 16.8 | 177.1 | -151.3 | 8.4 | 0 | 0 | 0 | 114.1 | T241 K245 | T241-N243 PolarHBondContact O-N 2.93Å; T241-N243 VanDerWaalsContact O-N 3.08Å; N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 3.46Å |
| 244 | L | 63.4 | Low | 63.4 | Low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | trans | -75.6 | 78.6 | 171 | -87.8 | 70.8 | 0 | 0 | 0 | 110.7 | T241 H246 | T241-L244 PolarHBondContact O-N 3.2Å; L244-H246 VanDerWaalsContact C-N 3.26Å; L244-H246 PolarHBondContact O-N 3.48Å |
| 245 | K | 67.3 | Low | 62.9 | Low | 178 Ų | 178 | 132.8 Ų | 132.8 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | trans | -80.7 | 4.3 | 176 | -67.7 | -70.7 | -175.2 | 177.2 | 0 | 114.4 | N243 Q247 | N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 3.46Å; K245-Q247 PolarHBondContact O-N 3.32Å; K245-Q247 VanDerWaalsContact O-N 3.08Å |
| 246 | H | 67.8 | Low | 62.6 | Low | 160 Ų | 160 | 128.1 Ų | 128.1 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | | | trans | -77.2 | 95.2 | -175.9 | -177.1 | -80 | 0 | 0 | 0 | 112.2 | L244 P248 | L244-H246 VanDerWaalsContact C-N 3.26Å; L244-H246 PolarHBondContact O-N 3.48Å; H246-P248 WeakPolarHBondContact O-CD 3.26Å |
| 247 | Q | 70.9 | Confident | 62.1 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -75.6 | 117.3 | 165.9 | -67.1 | -73 | 29.6 | 0 | 0 | 109.7 | K245 G249 | K245-Q247 PolarHBondContact O-N 3.32Å; K245-Q247 VanDerWaalsContact O-N 3.08Å; Q247-G249 PolarHBondContact O-N 2.88Å; Q247-G249 VanDerWaalsContact O-N 3.09Å |
| 248 | P | 61.3 | Low | 61.8 | Low | 102 Ų | 102 | 128.2 Ų | 128.2 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | trans | -69.7 | 107.8 | 176.5 | 28.6 | -32.9 | 0 | 0 | 0 | 110.1 | H246 G250 | H246-P248 WeakPolarHBondContact O-CD 3.26Å; P248-G250 PolarHBondContact O-N 3.09Å |
| 249 | G | 60.9 | Low | 61.4 | Low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | | | trans | -67.1 | 92.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q247 G251 | Q247-G249 PolarHBondContact O-N 2.88Å; Q247-G249 VanDerWaalsContact O-N 3.09Å; G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.33Å |
| 250 | G | 52.5 | Low | 61.5 | Low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -67.8 | 74.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P248 K252 | P248-G250 PolarHBondContact O-N 3.09Å; G250-K252 PolarHBondContact O-N 2.56Å |
| 251 | G | 53.2 | Low | 61.6 | Low | 62 Ų | 62 | 136.2 Ų | 136.2 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | -68.9 | 117 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G249 V253 | G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.33Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 2.86Å |
| 252 | K | 58.5 | Low | 61.3 | Low | 212 Ų | 212 | 138.4 Ų | 138.4 | 92% | 0.922 | 74% | 0.742 | S | S | * | * | | | trans | -76.5 | 79.6 | 175.1 | -60.7 | -179.5 | -175.6 | 179.4 | 0 | 110.7 | G250 Q254 | G250-K252 PolarHBondContact O-N 2.56Å; K252-Q254 PolarHBondContact O-N 3.43Å |
| 253 | V | 60.8 | Low | 61.2 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | | | trans | -83.7 | 108.4 | 175 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | G251 I255 | G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 2.86Å; V253-I255 PolarHBondContact O-N 3Å |
| 254 | Q | 58.3 | Low | 61.3 | Low | 181 Ų | 181 | 136.3 Ų | 136.3 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -85 | 105.3 | 175.4 | -167 | 165.7 | 13.2 | 0 | 0 | 109.1 | K252 V256 | K252-Q254 PolarHBondContact O-N 3.43Å; Q254-V256 PolarHBondContact O-N 3.24Å |
| 255 | I | 60.6 | Low | 61 | Low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 75% | 0.745 | S | S | * | * | | | trans | -72.5 | 111.9 | -176.6 | -58 | 173.6 | 0 | 0 | 0 | 109.3 | V253 | V253-I255 PolarHBondContact O-N 3Š|
| 256 | V | 63.3 | Low | 60.8 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -91.8 | 121.3 | 169.1 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | Q254 Q258 | Q254-V256 PolarHBondContact O-N 3.24Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.08Å |
| 257 | E | 57.9 | Low | 60.1 | Low | 149 Ų | 149 | 132 Ų | 132 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | | | trans | -76.2 | 78.7 | -178.2 | -166.8 | -167.5 | -173.8 | 0 | 0 | 111.6 | K259 | E257-K259 HydrophobicContact CG-CG 4.3Å; E257-K259 PolarHBondContact O-N 3.24Å; E257-K259 WeakPolarHBondContact OE1-CE 3.15Å; E257-K259 IonicContact OE1-NZ 2.72Å; E257-K259 PolarHBondContact OE1-NZ 3.29Å; E257-K259 IonicContact OE2-NZ 3.62Å |
| 258 | Q | 64.2 | Low | 59.6 | Low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | trans | -81.6 | 93.9 | 170.9 | -170.4 | 171.6 | 11.5 | 0 | 0 | 110.4 | V256 L260 | V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.08Å; Q258-L260 PolarHBondContact O-N 3.32Å; Q258-L260 VanDerWaalsContact O-N 3.17Å |
| 259 | K | 58.4 | Low | 59.1 | Low | 161 Ų | 161 | 134.6 Ų | 134.6 | 70% | 0.7 | 76% | 0.758 | S | S | * | * | | | trans | -64.1 | 112.3 | 173 | -66 | -179.9 | -178 | 175.1 | 0 | 109.9 | E257 | E257-K259 HydrophobicContact CG-CG 4.3Å; E257-K259 PolarHBondContact O-N 3.24Å; E257-K259 WeakPolarHBondContact OE1-CE 3.15Å; E257-K259 IonicContact OE1-NZ 2.72Å; E257-K259 PolarHBondContact OE1-NZ 3.29Å; E257-K259 IonicContact OE2-NZ 3.62Å |
| 260 | L | 64.1 | Low | 58.9 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 62% | 0.618 | 75% | 0.754 | S | S | * | * | | | trans | -83.3 | 127 | 168.4 | -66.8 | 174.8 | 0 | 0 | 0 | 109 | Q258 F262 | Q258-L260 PolarHBondContact O-N 3.32Å; Q258-L260 VanDerWaalsContact O-N 3.17Å; L260-F262 HydrophobicContact CB-CE2 4.17Å; L260-F262 HydrophobicContact CB-CZ 3.98Å; L260-F262 WeakPolarHBondContact O-CD2 3.16Å; L260-F262 WeakPolarHBondContact O-CE2 3.38Å |
| 261 | D | 60 | Low | 58.8 | Low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -82.8 | 131 | 171.1 | -176.1 | 5.2 | 0 | 0 | 0 | 109.9 | S263 | D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.92Å |
| 262 | F | 58.2 | Low | 59.2 | Low | 148 Ų | 148 | 141.3 Ų | 141.3 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | trans | -106 | 11.3 | -177.9 | -64 | -76 | 0 | 0 | 0 | 113.2 | L260 S264 V265 | L260-F262 HydrophobicContact CB-CE2 4.17Å; L260-F262 HydrophobicContact CB-CZ 3.98Å; L260-F262 WeakPolarHBondContact O-CD2 3.16Å; L260-F262 WeakPolarHBondContact O-CE2 3.38Å; F262-S264 PolarHBondContact O-N 3.46Å; F262-V265 HydrophobicContact CB-CG2 4.27Å; F262-V265 HydrophobicContact CD1-CG2 4.18Å; F262-V265 PolarHBondContact O-N 3.41Å |
| 263 | S | 62.8 | Low | 59.4 | Low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 2.6 | -173.5 | -167.8 | 0 | 0 | 0 | 0 | 116.8 | D261 | D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.92Å |
| 264 | S | 61.9 | Low | 59.1 | Low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 7 | 179.2 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | F262 Q266 | F262-S264 PolarHBondContact O-N 3.46Å; S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 3.17Å |
| 265 | V | 57.8 | Low | 59.2 | Low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | | | trans | -78.6 | 74.9 | -178.2 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | F262 | F262-V265 HydrophobicContact CB-CG2 4.27Å; F262-V265 HydrophobicContact CD1-CG2 4.18Å; F262-V265 PolarHBondContact O-N 3.41Å |
| 266 | Q | 62.5 | Low | 59.1 | Low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -81 | 117.6 | 172.8 | -166.1 | 177.8 | 16.3 | 0 | 0 | 111 | S264 K268 | S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 3.17Å; Q266-K268 PolarHBondContact O-N 2.8Å; Q266-K268 VanDerWaalsContact O-N 3.13Å |
| 267 | S | 54.2 | Low | 58.9 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | | | trans | -71.7 | 104.2 | -174.5 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | C269 | S267-C269 PolarHBondContact O-N 3.34Š|
| 268 | K | 59.9 | Low | 59 | Low | 211 Ų | 211 | 141.4 Ų | 141.4 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | | | trans | -74.3 | 36 | 177.1 | -64.3 | -176.2 | 178.7 | 177.8 | 0 | 114.1 | Q266 G270 | Q266-K268 PolarHBondContact O-N 2.8Å; Q266-K268 VanDerWaalsContact O-N 3.13Å; K268-G270 VanDerWaalsContact C-N 3.34Å; K268-G270 PolarHBondContact O-N 2.98Å |
| 269 | C | 50.6 | Low | 58.7 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | trans | -81.5 | 78.5 | 177.1 | -165.7 | 0 | 0 | 0 | 0 | 110.8 | S267 S271 | S267-C269 PolarHBondContact O-N 3.34Å; C269-S271 PolarHBondContact O-N 3.01Å |
| 270 | G | 57.2 | Low | 58.6 | Low | 72 Ų | 72 | 134.5 Ų | 134.5 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | | | trans | -75.5 | 42.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116 | K268 K272 | K268-G270 VanDerWaalsContact C-N 3.34Å; K268-G270 PolarHBondContact O-N 2.98Å; G270-K272 PolarHBondContact O-N 3.48Å; G270-K272 VanDerWaalsContact O-N 3.13Å |
| 271 | S | 51.1 | Low | 58.1 | Low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -77.4 | 96.4 | 173.6 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | C269 | C269-S271 PolarHBondContact O-N 3.01Š|
| 272 | K | 61.2 | Low | 57.9 | Low | 181 Ų | 181 | 128.6 Ų | 128.6 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | | | trans | -124.5 | -7.8 | -173.1 | -107.1 | -175.1 | 177.1 | 179.6 | 0 | 116.6 | G270 | G270-K272 PolarHBondContact O-N 3.48Å; G270-K272 VanDerWaalsContact O-N 3.13Å |
| 273 | D | 61.7 | Low | 57.9 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -97.4 | 104.8 | -179.7 | -68.6 | -63.2 | 0 | 0 | 0 | 112 | | |
| 274 | N | 56.2 | Low | 57.8 | Low | 152 Ų | 152 | 129.2 Ų | 129.2 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 104 | 18.4 | 173.3 | -150 | 25 | 0 | 0 | 0 | 118.5 | | |
| 275 | V | 58.7 | Low | 57.6 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | | | trans | -105.9 | 84.7 | 161.1 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | H277 | V275-H277 HydrophobicContact CG1-CB 3.89Å; V275-H277 PolarHBondContact O-N 3.46Å |
| 276 | K | 59.2 | Low | 57.8 | Low | 203 Ų | 203 | 132.5 Ų | 132.5 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -73.1 | -0.5 | 170 | -84.2 | -177.3 | 177.9 | 174.7 | 0 | 113.7 | K278 | K276-K278 PolarHBondContact O-N 2.95Š|
| 277 | H | 58.4 | Low | 57.8 | Low | 139 Ų | 139 | 130 Ų | 130 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | | | trans | -70.3 | 96.7 | 164.7 | -176.3 | -103.9 | 0 | 0 | 0 | 109.3 | V275 P279 | V275-H277 HydrophobicContact CG1-CB 3.89Å; V275-H277 PolarHBondContact O-N 3.46Å; H277-P279 WeakPolarHBondContact O-CD 3.38Å |
| 278 | K | 60.6 | Low | 58.1 | Low | 189 Ų | 189 | 132.8 Ų | 132.8 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -69.5 | 109.7 | 154 | -73.7 | -170.2 | 176.4 | -173 | 0 | 106.8 | K276 G280 | K276-K278 PolarHBondContact O-N 2.95Å; K278-G280 PolarHBondContact O-N 2.94Å; K278-G280 VanDerWaalsContact O-N 3.1Å |
| 279 | P | 57.9 | Low | 58.3 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | | | trans | -58.8 | 120.1 | 159.1 | 27.2 | -32.4 | 0 | 0 | 0 | 106.5 | H277 G281 | H277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-G281 PolarHBondContact O-N 3.48Å |
| 280 | G | 56.1 | Low | 58.9 | Low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | | | trans | -72.4 | 68.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K278 G282 | K278-G280 PolarHBondContact O-N 2.94Å; K278-G280 VanDerWaalsContact O-N 3.1Å; G280-G282 PolarHBondContact O-N 2.93Å |
| 281 | G | 53 | Low | 59.1 | Low | 80 Ų | 80 | 136.6 Ų | 136.6 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | trans | -69.2 | 61.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P279 | P279-G281 PolarHBondContact O-N 3.48Š|
| 282 | G | 56.2 | Low | 59.7 | Low | 54 Ų | 54 | 137.4 Ų | 137.4 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | | | trans | -61 | 142.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G280 V284 | G280-G282 PolarHBondContact O-N 2.93Å; G282-V284 VanDerWaalsContact C-N 3.29Å; G282-V284 PolarHBondContact O-N 3.09Å |
| 283 | N | 59.6 | Low | 59.7 | Low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | | | trans | -74.3 | 84.4 | 180 | -166.3 | 9.7 | 0 | 0 | 0 | 109.2 | Q285 | N283-Q285 PolarHBondContact O-N 3.35Š|
| 284 | V | 60.3 | Low | 59.9 | Low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -73.7 | 80.3 | -179.3 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | G282 I286 | G282-V284 VanDerWaalsContact C-N 3.29Å; G282-V284 PolarHBondContact O-N 3.09Å; V284-I286 HydrophobicContact CG1-CG1 4.18Å; V284-I286 PolarHBondContact O-N 2.94Å |
| 285 | Q | 57.8 | Low | 60.2 | Low | 141 Ų | 141 | 131.9 Ų | 131.9 | 66% | 0.659 | 73% | 0.729 | S | S | * | * | | | trans | -59.8 | 114.3 | 151.8 | -70.4 | -178.9 | -15.2 | 0 | 0 | 107.1 | N283 L287 | N283-Q285 PolarHBondContact O-N 3.35Å; Q285-L287 PolarHBondContact O-N 2.83Å |
| 286 | I | 61.2 | Low | 60.4 | Low | 148 Ų | 148 | 132.1 Ų | 132.1 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | trans | -74.2 | 78.6 | 171.5 | -55.4 | 177.9 | 0 | 0 | 0 | 107.2 | V284 | V284-I286 HydrophobicContact CG1-CG1 4.18Å; V284-I286 PolarHBondContact O-N 2.94Å |
| 287 | L | 62.2 | Low | 60.6 | Low | 120 Ų | 120 | 130.5 Ų | 130.5 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | | | trans | -76.3 | 115.7 | 164.5 | -83.1 | 159.8 | 0 | 0 | 0 | 107.4 | Q285 K289 | Q285-L287 PolarHBondContact O-N 2.83Å; L287-K289 PolarHBondContact O-N 3.44Å |
| 288 | D | 61 | Low | 60.4 | Low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | | | trans | -70.8 | 60 | 172.8 | -104.3 | -36.7 | 0 | 0 | 0 | 111.7 | K290 | D288-K290 PolarHBondContact O-N 3.12Š|
| 289 | K | 63.3 | Low | 60.3 | Low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | | | trans | -86.8 | 92 | 166.3 | -81.9 | -169.6 | 171.7 | -177.6 | 0 | 108.6 | L287 L291 | L287-K289 PolarHBondContact O-N 3.44Å; K289-L291 PolarHBondContact O-N 2.78Å |
| 290 | K | 63.2 | Low | 60 | Low | 173 Ų | 173 | 130.3 Ų | 130.3 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -37.1 | 109.9 | 167.7 | 177.7 | 178.1 | 167.9 | -70.9 | 0 | 110.5 | D288 D292 | D288-K290 PolarHBondContact O-N 3.12Å; K290-D292 IonicContact NZ-OD1 3.33Å; K290-D292 PolarHBondContact NZ-OD1 2.87Å; K290-D292 PolarHBondContact O-N 3.2Å |
| 291 | L | 62.1 | Low | 60 | Low | 138 Ų | 138 | 130.6 Ų | 130.6 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | | | trans | -80 | 111.9 | -173.9 | -140.5 | 79.3 | 0 | 0 | 0 | 109.7 | K289 L293 | K289-L291 PolarHBondContact O-N 2.78Å; L291-L293 HydrophobicContact CD2-CD2 4.16Å; L291-L293 PolarHBondContact O-N 3.06Å |
| 292 | D | 64.9 | Low | 60 | Low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | | | trans | -78.2 | 93.2 | 176.1 | -76.8 | -22 | 0 | 0 | 0 | 110.4 | K290 S294 | K290-D292 IonicContact NZ-OD1 3.33Å; K290-D292 PolarHBondContact NZ-OD1 2.87Å; K290-D292 PolarHBondContact O-N 3.2Å; D292-S294 PolarHBondContact O-N 3.14Å |
| 293 | L | 60.3 | Low | 60.3 | Low | 118 Ų | 118 | 138 Ų | 138 | 62% | 0.618 | 74% | 0.744 | S | S | * | * | | | trans | -69.6 | 8.6 | -173.3 | -69.6 | 162.9 | 0 | 0 | 0 | 115.1 | L291 N295 V296 | L291-L293 HydrophobicContact CD2-CD2 4.16Å; L291-L293 PolarHBondContact O-N 3.06Å; L293-N295 PolarHBondContact O-N 2.91Å; L293-V296 HydrophobicContact CB-CG2 4.46Å; L293-V296 HydrophobicContact CD2-CG2 3.91Å; L293-V296 PolarHBondContact O-N 2.89Å |
| 294 | S | 65.4 | Low | 60.3 | Low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -22.3 | -167.2 | -49.1 | 0 | 0 | 0 | 0 | 115.7 | D292 | D292-S294 PolarHBondContact O-N 3.14Š|
| 295 | N | 63.4 | Low | 60.1 | Low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 16.6 | -173.8 | -70.4 | -46.1 | 0 | 0 | 0 | 114.5 | L293 Q297 | L293-N295 PolarHBondContact O-N 2.91Å; N295-Q297 PolarHBondContact O-N 2.82Å |
| 296 | V | 61.4 | Low | 59.9 | Low | 114 Ų | 114 | 140.6 Ų | 140.6 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 83.9 | -179.7 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | L293 A298 | L293-V296 HydrophobicContact CB-CG2 4.46Å; L293-V296 HydrophobicContact CD2-CG2 3.91Å; L293-V296 PolarHBondContact O-N 2.89Å; V296-A298 PolarHBondContact O-N 3.18Å |
| 297 | Q | 64.9 | Low | 59.8 | Low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -82.6 | 108.7 | 174.7 | -168.9 | 180 | 62.8 | 0 | 0 | 111.6 | N295 R299 | N295-Q297 PolarHBondContact O-N 2.82Å; Q297-R299 PolarHBondContact O-N 2.8Å; Q297-R299 VanDerWaalsContact O-N 3.14Å |
| 298 | A | 53.1 | Low | 59.6 | Low | 88 Ų | 88 | 144.2 Ų | 144.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -64.7 | 110.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V296 C300 | V296-A298 PolarHBondContact O-N 3.18Å; A298-C300 PolarHBondContact O-N 3.03Å |
| 299 | R | 58.9 | Low | 59.6 | Low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | trans | -80.8 | 58.4 | 174 | -71.9 | -171.4 | 169.7 | -173.9 | -2.8 | 112.5 | Q297 G301 | Q297-R299 PolarHBondContact O-N 2.8Å; Q297-R299 VanDerWaalsContact O-N 3.14Å; R299-G301 PolarHBondContact O-N 2.86Å; R299-G301 VanDerWaalsContact O-N 3.08Å |
| 300 | C | 52.1 | Low | 59.3 | Low | 103 Ų | 103 | 142.4 Ų | 142.4 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | | | trans | -73.6 | 95.6 | 169.8 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | A298 S302 | A298-C300 PolarHBondContact O-N 3.03Å; C300-S302 VanDerWaalsContact C-N 3.27Å; C300-S302 PolarHBondContact O-N 3.28Å |
| 301 | G | 56.8 | Low | 58.7 | Low | 85 Ų | 85 | 138 Ų | 138 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | | | trans | -80.3 | 53.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R299 | R299-G301 PolarHBondContact O-N 2.86Å; R299-G301 VanDerWaalsContact O-N 3.08Å |
| 302 | S | 52 | Low | 58 | Low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -129.1 | 103.5 | 169.2 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | C300 | C300-S302 VanDerWaalsContact C-N 3.27Å; C300-S302 PolarHBondContact O-N 3.28Å |
| 303 | K | 62.1 | Low | 57.3 | Low | 194 Ų | 194 | 132.4 Ų | 132.4 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -137.9 | 15.6 | -169.2 | -94.1 | -163.7 | 175.2 | -175.9 | 0 | 116.2 | | |
| 304 | D | 60.1 | Low | 57 | Low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -97.7 | 118.5 | 170.9 | -67.8 | -63.9 | 0 | 0 | 0 | 111.2 | | |
| 305 | N | 55.1 | Low | 56.6 | Low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 61.6 | 41.2 | 169.1 | -79.5 | -33 | 0 | 0 | 0 | 120 | | |
| 306 | L | 54.9 | Low | 55.9 | Low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | -114.3 | 87.1 | 155.8 | -89.1 | 165.6 | 0 | 0 | 0 | 112.1 | H308 | L306-H308 HydrophobicContact CD2-CB 4.41Å; L306-H308 PolarHBondContact O-N 3Å |
| 307 | K | 59.6 | Low | 55.6 | Low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -74.9 | 31.9 | 167.9 | -72.4 | -173.9 | 178 | 177 | 0 | 112.9 | K309 | K307-K309 PolarHBondContact O-N 2.97Š|
| 308 | H | 57.4 | Low | 55.1 | Low | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | | | trans | -78.2 | 103.6 | 175.7 | -174.7 | -109.1 | 0 | 0 | 0 | 109.9 | L306 P310 | L306-H308 HydrophobicContact CD2-CB 4.41Å; L306-H308 PolarHBondContact O-N 3Å; H308-P310 WeakPolarHBondContact O-CD 3.27Å |
| 309 | K | 61.3 | Low | 55.3 | Low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | -83.2 | 102.9 | 163.3 | -77.5 | -84 | -170.8 | 171.3 | 0 | 107.4 | K307 G311 | K307-K309 PolarHBondContact O-N 2.97Å; K309-G311 PolarHBondContact O-N 2.72Å; K309-G311 VanDerWaalsContact O-N 3.12Å |
| 310 | P | 56.5 | Low | 55.1 | Low | 100 Ų | 100 | 139.8 Ų | 139.8 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | -62.5 | 118.1 | 172.7 | 26.4 | -33.5 | 0 | 0 | 0 | 108.9 | H308 G312 | H308-P310 WeakPolarHBondContact O-CD 3.27Å; P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 2.79Å |
| 311 | G | 49.8 | Very low | 55.3 | Low | 81 Ų | 81 | 143 Ų | 143 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | -73.1 | 80.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | K309 G313 | K309-G311 PolarHBondContact O-N 2.72Å; K309-G311 VanDerWaalsContact O-N 3.12Å; G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 2.85Å |
| 312 | G | 47.8 | Very low | 55.4 | Low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 77.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P310 | P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 2.79Å |
| 313 | G | 49.8 | Very low | 55.4 | Low | 60 Ų | 60 | 146 Ų | 146 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | | | trans | -64 | 132.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G311 V315 | G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 2.85Å; G313-V315 PolarHBondContact O-N 3.41Å |
| 314 | R | 54.6 | Low | 55.1 | Low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 91.1 | 175.5 | -178 | -174.2 | -71.9 | 174.1 | -4.2 | 109.5 | K316 | R314-K316 PolarHBondContact O-N 3.35Š|
| 315 | V | 57.3 | Low | 55 | Low | 121 Ų | 121 | 141.3 Ų | 141.3 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | | | trans | -68.9 | 96 | 174.7 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | G313 I317 | G313-V315 PolarHBondContact O-N 3.41Å; V315-I317 HydrophobicContact CG1-CG1 3.82Å; V315-I317 PolarHBondContact O-N 3.49Å; V315-I317 VanDerWaalsContact O-N 3.13Å |
| 316 | K | 49.1 | Very low | 55.1 | Low | 178 Ų | 178 | 139.7 Ų | 139.7 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | | | trans | -70 | 98.6 | 157.5 | -84.4 | -169.2 | 171.4 | -171.6 | 0 | 107.3 | R314 L318 | R314-K316 PolarHBondContact O-N 3.35Å; K316-L318 PolarHBondContact O-N 3.36Å; K316-L318 VanDerWaalsContact O-N 3.08Å |
| 317 | I | 55.3 | Low | 55 | Low | 152 Ų | 152 | 137.3 Ų | 137.3 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -69.9 | 101.6 | 163.6 | -57.7 | 178.6 | 0 | 0 | 0 | 106.1 | V315 D319 | V315-I317 HydrophobicContact CG1-CG1 3.82Å; V315-I317 PolarHBondContact O-N 3.49Å; V315-I317 VanDerWaalsContact O-N 3.13Å; I317-D319 PolarHBondContact O-N 2.73Å |
| 318 | L | 53.7 | Low | 54.7 | Low | 145 Ų | 145 | 135.8 Ų | 135.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -77.8 | 105.4 | 164.3 | -75.7 | 168.2 | 0 | 0 | 0 | 106.8 | K316 Q320 | K316-L318 PolarHBondContact O-N 3.36Å; K316-L318 VanDerWaalsContact O-N 3.08Å; L318-Q320 PolarHBondContact O-N 3.32Å |
| 319 | D | 57.5 | Low | 54.3 | Low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -71.9 | 72.7 | 165.5 | -176.8 | 24 | 0 | 0 | 0 | 109.3 | I317 K321 | I317-D319 PolarHBondContact O-N 2.73Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.14Å |
| 320 | Q | 54.7 | Low | 53.9 | Low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -81.7 | 87.4 | 170.1 | -172.1 | 172.1 | 11.4 | 0 | 0 | 107.9 | L318 L322 | L318-Q320 PolarHBondContact O-N 3.32Å; Q320-L322 PolarHBondContact O-N 2.89Å |
| 321 | K | 55.1 | Low | 53.5 | Low | 170 Ų | 170 | 135.9 Ų | 135.9 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | | | trans | -52.1 | 101.1 | 174.3 | -175.7 | -178.9 | 176.5 | -175.3 | 0 | 110.8 | D319 | D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.14Å |
| 322 | L | 59.1 | Low | 53.3 | Low | 107 Ų | 107 | 135 Ų | 135 | 56% | 0.56 | 74% | 0.744 | S | S | * | * | | | trans | -80 | 120.3 | 173.4 | -74.5 | 165.5 | 0 | 0 | 0 | 108.9 | Q320 F324 | Q320-L322 PolarHBondContact O-N 2.89Å; L322-F324 HydrophobicContact CB-CD1 4.28Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE1 3.78Å; L322-F324 HydrophobicContact CB-CE2 3.71Å; L322-F324 HydrophobicContact CB-CG 4.5Å; L322-F324 HydrophobicContact CB-CZ 3.48Å; L322-F324 VanDerWaalsContact CB-CZ 3.48Å; L322-F324 HydrophobicContact CD1-CE1 4Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; L322-F324 HydrophobicContact CD1-CZ 3.62Å; L322-F324 HydrophobicContact CG-CZ 4.19Å; L322-F324 WeakPolarHBondContact O-CD2 3.36Å; L322-F324 PolarHBondContact O-N 2.75Å |
| 323 | D | 53.1 | Low | 53.2 | Low | 136 Ų | 136 | 136.1 Ų | 136.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -73.8 | 88.5 | 176.3 | -85.1 | -30 | 0 | 0 | 0 | 111 | S325 | D323-S325 PolarHBondContact O-N 2.84Š|
| 324 | F | 54.2 | Low | 53.4 | Low | 139 Ų | 139 | 142 Ų | 142 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | | | trans | -76.2 | 40.7 | -178.6 | -63.4 | -63.8 | 0 | 0 | 0 | 114.4 | L322 T326 V327 | L322-F324 HydrophobicContact CB-CD1 4.28Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE1 3.78Å; L322-F324 HydrophobicContact CB-CE2 3.71Å; L322-F324 HydrophobicContact CB-CG 4.5Å; L322-F324 HydrophobicContact CB-CZ 3.48Å; L322-F324 VanDerWaalsContact CB-CZ 3.48Å; L322-F324 HydrophobicContact CD1-CE1 4Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; L322-F324 HydrophobicContact CD1-CZ 3.62Å; L322-F324 HydrophobicContact CG-CZ 4.19Å; L322-F324 WeakPolarHBondContact O-CD2 3.36Å; L322-F324 PolarHBondContact O-N 2.75Å; F324-T326 PolarHBondContact O-N 2.86Å; F324-V327 HydrophobicContact CB-CB 4.48Å; F324-V327 HydrophobicContact CB-CG2 4.42Å; F324-V327 HydrophobicContact CD1-CB 4.5Å; F324-V327 HydrophobicContact CD1-CG2 3.86Å; F324-V327 PolarHBondContact O-N 3.22Å |
| 325 | S | 59.4 | Low | 53.5 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -9 | -177 | 66.7 | 0 | 0 | 0 | 0 | 115.1 | D323 | D323-S325 PolarHBondContact O-N 2.84Š|
| 326 | T | 57.4 | Low | 53.4 | Low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | 6.7 | -171.9 | 44.5 | 0 | 0 | 0 | 0 | 114.9 | F324 Q328 | F324-T326 PolarHBondContact O-N 2.86Å; T326-Q328 PolarHBondContact O-N 3.1Å |
| 327 | V | 52 | Low | 53.6 | Low | 101 Ų | 101 | 137.2 Ų | 137.2 | 61% | 0.612 | 74% | 0.743 | S | S | * | * | | | trans | -96 | 95.8 | -179 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | F324 | F324-V327 HydrophobicContact CB-CB 4.48Å; F324-V327 HydrophobicContact CB-CG2 4.42Å; F324-V327 HydrophobicContact CD1-CB 4.5Å; F324-V327 HydrophobicContact CD1-CG2 3.86Å; F324-V327 PolarHBondContact O-N 3.22Å |
| 328 | Q | 54.2 | Low | 53.3 | Low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | trans | -86.7 | 114.3 | 169.8 | -71.4 | -173.4 | -11.1 | 0 | 0 | 111.5 | T326 K330 | T326-Q328 PolarHBondContact O-N 3.1Å; Q328-K330 PolarHBondContact O-N 2.84Å |
| 329 | S | 48.2 | Very low | 52.9 | Low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | | | trans | -76.1 | 98.5 | 177.8 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | C331 | S329-C331 PolarHBondContact O-N 2.76Š|
| 330 | K | 53.3 | Low | 52.4 | Low | 201 Ų | 201 | 135.3 Ų | 135.3 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | | | trans | -77.9 | 59 | 175.6 | -68.7 | -173.7 | 177.3 | 179.1 | 0 | 113.3 | Q328 | Q328-K330 PolarHBondContact O-N 2.84Š|
| 331 | C | 47.1 | Very low | 52.3 | Low | 122 Ų | 122 | 132.9 Ų | 132.9 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | | | trans | -99.5 | 73 | 167.8 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | S329 | S329-C331 PolarHBondContact O-N 2.76Š|
| 332 | G | 46.5 | Very low | 51.6 | Low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | | | trans | -104 | 96.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 333 | S | 46.4 | Very low | 51 | Low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | -133.1 | 87.8 | 178.6 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 334 | K | 52.8 | Low | 50.7 | Low | 184 Ų | 184 | 124.5 Ų | 124.5 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -152.7 | 135.6 | 148.2 | -68.9 | -158.2 | 178 | -179.7 | 0 | 108.5 | N336 | K334-N336 PolarHBondContact O-N 2.92Š|
| 335 | D | 58.1 | Low | 50.1 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 90% | 0.904 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -81.4 | 88 | -164.3 | -61.6 | -79.2 | 0 | 0 | 0 | 115.1 | | |
| 336 | N | 55.2 | Low | 49.6 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | | | trans | -151.9 | 44.7 | 138.7 | -162.1 | 0.2 | 0 | 0 | 0 | 111.7 | K334 | K334-N336 PolarHBondContact O-N 2.92Š|
| 337 | I | 51.4 | Low | 49.2 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | trans | -94.8 | 111.3 | 174.8 | -60.2 | 171.1 | 0 | 0 | 0 | 107.9 | H339 | I337-H339 PolarHBondContact O-N 3.37Š|
| 338 | K | 49.9 | Very low | 49.3 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -65.8 | 81.6 | 171 | -69 | -178.8 | -179.1 | 175.5 | 0 | 109.1 | A340 D397 | K338-A340 PolarHBondContact O-N 3.34Å; K338-D397 IonicContact NZ-OD2 2.79Å; K338-D397 PolarHBondContact NZ-OD2 3.36Å |
| 339 | H | 44.3 | Very low | 49.4 | Very low | 151 Ų | 151 | 126 Ų | 126 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | trans | -68.1 | 95.9 | -174.8 | 175.9 | -99.9 | 0 | 0 | 0 | 111.6 | I337 P341 | I337-H339 PolarHBondContact O-N 3.37Å; H339-P341 WeakPolarHBondContact O-CD 3.17Å |
| 340 | A | 48.3 | Very low | 49.7 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -83.3 | 113.4 | 162 | 0 | 0 | 0 | 0 | 0 | 108.7 | K338 G342 | K338-A340 PolarHBondContact O-N 3.34Å; A340-G342 VanDerWaalsContact C-N 3.34Å; A340-G342 PolarHBondContact O-N 3.08Å |
| 341 | P | 51.9 | Low | 49.7 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | trans | -70.8 | 88.9 | 176.8 | 28.2 | -33.7 | 0 | 0 | 0 | 110.4 | H339 G343 | H339-P341 WeakPolarHBondContact O-CD 3.17Å; P341-G343 PolarHBondContact O-N 3.13Å; P341-G343 VanDerWaalsContact O-N 3.12Å |
| 342 | G | 41.5 | Very low | 50.2 | Low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -62.4 | 109.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A340 | A340-G342 VanDerWaalsContact C-N 3.34Å; A340-G342 PolarHBondContact O-N 3.08Å |
| 343 | G | 45.1 | Very low | 50.6 | Low | 77 Ų | 77 | 131.5 Ų | 131.5 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | -75.4 | 144.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P341 | P341-G343 PolarHBondContact O-N 3.13Å; P341-G343 VanDerWaalsContact O-N 3.12Å |
| 344 | G | 46.5 | Very low | 51 | Low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | 81 | 76.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 345 | N | 42.9 | Very low | 51.1 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | | | | -161.9 | 98.4 | 119.4 | -165 | -3.8 | 0 | 0 | 0 | 110.6 | | |
| 346 | V | 47.9 | Very low | 51.3 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 76% | 0.758 | 72% | 0.715 | S | S | * | * | | | trans | -100.1 | 90.7 | 173.5 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | I348 | V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 HydrophobicContact CG1-CG1 3.9Å; V346-I348 PolarHBondContact O-N 3.36Å |
| 347 | Q | 49.6 | Very low | 51.5 | Low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | | | trans | -69.7 | 94.9 | 164.2 | -86.9 | -172.6 | -19.2 | 0 | 0 | 109.1 | L349 | Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.43Å |
| 348 | I | 55 | Low | 51.7 | Low | 126 Ų | 126 | 122.2 Ų | 122.2 | 65% | 0.646 | 71% | 0.713 | S | S | * | * | | | trans | -70.3 | 93.5 | 165.2 | -55.5 | 179.9 | 0 | 0 | 0 | 106.8 | V346 D350 | V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 HydrophobicContact CG1-CG1 3.9Å; V346-I348 PolarHBondContact O-N 3.36Å; I348-D350 PolarHBondContact O-N 3.03Å |
| 349 | L | 54.8 | Low | 52.1 | Low | 136 Ų | 136 | 122.3 Ų | 122.3 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | | | trans | -70 | 86.5 | 168 | -81.2 | 169.5 | 0 | 0 | 0 | 108.4 | Q347 K351 | Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.43Å; L349-K351 PolarHBondContact O-N 2.88Å |
| 350 | D | 54.8 | Low | 52.5 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | | | trans | -71.2 | 70.6 | 178.2 | -163.6 | 6.1 | 0 | 0 | 0 | 110.7 | I348 K352 | I348-D350 PolarHBondContact O-N 3.03Å; D350-K352 PolarHBondContact O-N 3.02Å |
| 351 | K | 53.5 | Low | 52.7 | Low | 181 Ų | 181 | 127.6 Ų | 127.6 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | | | trans | -70.9 | 78.2 | 173 | -78.9 | -171.1 | 173.6 | -177.3 | 0 | 108.7 | L349 L353 | L349-K351 PolarHBondContact O-N 2.88Å; K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 2.88Å |
| 352 | K | 58.3 | Low | 52.6 | Low | 161 Ų | 161 | 126.9 Ų | 126.9 | 70% | 0.7 | 72% | 0.724 | S | S | * | * | | | trans | -53.6 | 92.9 | 171.4 | -176.5 | -179.6 | 174.4 | -66.8 | 0 | 109.9 | D350 D354 | D350-K352 PolarHBondContact O-N 3.02Å; K352-D354 IonicContact NZ-OD2 3.92Å; K352-D354 PolarHBondContact O-N 3.13Å |
| 353 | L | 54.4 | Low | 53.1 | Low | 135 Ų | 135 | 127.4 Ų | 127.4 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | | | trans | -67.4 | 113.8 | -178.3 | -165.6 | 70.1 | 0 | 0 | 0 | 108.5 | K351 L355 | K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 2.88Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CG 4.49Å; L353-L355 HydrophobicContact CD2-CD1 4.33Å; L353-L355 HydrophobicContact CD2-CD2 3.82Å; L353-L355 HydrophobicContact CD2-CG 4.16Å; L353-L355 HydrophobicContact CG-CD2 4.01Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L353-L355 PolarHBondContact O-N 3.03Å |
| 354 | D | 54.4 | Low | 53.1 | Low | 105 Ų | 105 | 127 Ų | 127 | 56% | 0.561 | 72% | 0.715 | S | S | * | * | | | trans | -80.9 | 80.4 | -172 | -149.7 | -38.8 | 0 | 0 | 0 | 111.7 | K352 S356 | K352-D354 IonicContact NZ-OD2 3.92Å; K352-D354 PolarHBondContact O-N 3.13Å; D354-S356 PolarHBondContact O-N 3.09Å; D354-S356 VanDerWaalsContact O-N 3.15Å; D354-S356 WeakPolarHBondContact OD1-CB 2.99Å; D354-S356 PolarHBondContact OD1-N 3.31Å; D354-S356 PolarHBondContact OD1-OG 3.38Å |
| 355 | L | 56.1 | Low | 53.7 | Low | 106 Ų | 106 | 133.1 Ų | 133.1 | 56% | 0.555 | 72% | 0.718 | S | S | * | * | | | trans | -80 | 23.9 | -179.5 | -62.2 | 178 | 0 | 0 | 0 | 113.2 | L353 S357 V358 | L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CG 4.49Å; L353-L355 HydrophobicContact CD2-CD1 4.33Å; L353-L355 HydrophobicContact CD2-CD2 3.82Å; L353-L355 HydrophobicContact CD2-CG 4.16Å; L353-L355 HydrophobicContact CG-CD2 4.01Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L353-L355 PolarHBondContact O-N 3.03Å; L355-S357 PolarHBondContact O-N 2.8Å; L355-S357 VanDerWaalsContact O-N 3.09Å; L355-V358 HydrophobicContact CB-CB 4.48Å; L355-V358 HydrophobicContact CB-CG2 3.83Å; L355-V358 HydrophobicContact CD2-CG2 3.93Å; L355-V358 HydrophobicContact CG-CG2 4.4Å; L355-V358 WeakPolarHBondContact O-CB 3.42Å; L355-V358 PolarHBondContact O-N 3.25Å |
| 356 | S | 62.5 | Low | 54.5 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.6 | -178.9 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | D354 | D354-S356 PolarHBondContact O-N 3.09Å; D354-S356 VanDerWaalsContact O-N 3.15Å; D354-S356 WeakPolarHBondContact OD1-CB 2.99Å; D354-S356 PolarHBondContact OD1-N 3.31Å; D354-S356 PolarHBondContact OD1-OG 3.38Å |
| 357 | S | 58.3 | Low | 54.8 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -3 | 172.5 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | L355 Q359 | L355-S357 PolarHBondContact O-N 2.8Å; L355-S357 VanDerWaalsContact O-N 3.09Å; S357-Q359 VanDerWaalsContact C-N 3.28Å; S357-Q359 PolarHBondContact O-N 3.19Å |
| 358 | V | 55.9 | Low | 55.3 | Low | 102 Ų | 102 | 132.6 Ų | 132.6 | 62% | 0.618 | 72% | 0.715 | S | S | * | * | | | trans | -79.9 | 73.9 | -178.1 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | L355 S360 | L355-V358 HydrophobicContact CB-CB 4.48Å; L355-V358 HydrophobicContact CB-CG2 3.83Å; L355-V358 HydrophobicContact CD2-CG2 3.93Å; L355-V358 HydrophobicContact CG-CG2 4.4Å; L355-V358 WeakPolarHBondContact O-CB 3.42Å; L355-V358 PolarHBondContact O-N 3.25Å; V358-S360 PolarHBondContact O-N 2.94Å |
| 359 | Q | 57.7 | Low | 55.6 | Low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -77.9 | 106.3 | 171.1 | -163.4 | 176.5 | 45.5 | 0 | 0 | 109.8 | S357 R361 | S357-Q359 VanDerWaalsContact C-N 3.28Å; S357-Q359 PolarHBondContact O-N 3.19Å; Q359-R361 PolarHBondContact O-N 2.96Å; Q359-R361 VanDerWaalsContact O-N 3.15Å |
| 360 | S | 52.5 | Low | 55.8 | Low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | | | trans | -64.6 | 113.6 | -179.2 | 49.2 | 0 | 0 | 0 | 0 | 111.3 | V358 C362 | V358-S360 PolarHBondContact O-N 2.94Å; S360-C362 PolarHBondContact O-N 2.93Å |
| 361 | R | 53 | Low | 56.2 | Low | 248 Ų | 248 | 135.2 Ų | 135.2 | 94% | 0.936 | 72% | 0.721 | S | S | * | * | | | trans | -78.3 | 46.2 | 175.6 | -74.6 | -174.6 | 163.1 | 149.3 | -1.6 | 112.6 | Q359 | Q359-R361 PolarHBondContact O-N 2.96Å; Q359-R361 VanDerWaalsContact O-N 3.15Å |
| 362 | C | 50.5 | Low | 56.3 | Low | 90 Ų | 90 | 131.2 Ų | 131.2 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | | | trans | -81.2 | 121.6 | 168.6 | -167.3 | 0 | 0 | 0 | 0 | 109 | S360 S364 | S360-C362 PolarHBondContact O-N 2.93Å; C362-S364 PolarHBondContact O-N 3.14Å; C362-S364 VanDerWaalsContact O-N 3.08Å |
| 363 | G | 52.4 | Low | 56.1 | Low | 89 Ų | 89 | 127.4 Ų | 127.4 | 92% | 0.918 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -80 | 27.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 364 | S | 44 | Very low | 56.2 | Low | 69 Ų | 69 | 124.4 Ų | 124.4 | 48% | 0.483 | 72% | 0.722 | S | S | . | * | | | trans | -118 | 106.3 | 179.1 | 48.3 | 0 | 0 | 0 | 0 | 110.7 | C362 D366 | C362-S364 PolarHBondContact O-N 3.14Å; C362-S364 VanDerWaalsContact O-N 3.08Å; S364-D366 VanDerWaalsContact C-N 3.26Å; S364-D366 PolarHBondContact O-N 2.95Å |
| 365 | K | 59.1 | Low | 56.2 | Low | 208 Ų | 208 | 122.9 Ų | 122.9 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | | | trans | -85.5 | 22.3 | -171.1 | -86.9 | -168.4 | 172.1 | -174.2 | 0 | 115.1 | | |
| 366 | D | 59.5 | Low | 56.3 | Low | 143 Ų | 143 | 124.6 Ų | 124.6 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -105.7 | 97.6 | -173.9 | -67.4 | -69.4 | 0 | 0 | 0 | 113.1 | S364 I368 | S364-D366 VanDerWaalsContact C-N 3.26Å; S364-D366 PolarHBondContact O-N 2.95Å; D366-I368 PolarHBondContact O-N 3Å |
| 367 | N | 55.3 | Low | 56.2 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | trans | 60.6 | 31.8 | 151.1 | -153.9 | 17.3 | 0 | 0 | 0 | 119.1 | K369 | N367-K369 PolarHBondContact O-N 3.25Š|
| 368 | I | 60.2 | Low | 56.1 | Low | 134 Ų | 134 | 127.8 Ų | 127.8 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | -75.9 | 86 | 169 | -57.9 | -179.9 | 0 | 0 | 0 | 110.4 | D366 H370 | D366-I368 PolarHBondContact O-N 3Å; I368-H370 HydrophobicContact CG2-CB 3.73Å; I368-H370 PolarHBondContact O-N 2.97Å |
| 369 | K | 59.8 | Low | 56.1 | Low | 184 Ų | 184 | 129 Ų | 129 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | -77.3 | 57.8 | 168.4 | -70.6 | -171.4 | 178.3 | -177.9 | 0 | 112 | N367 V371 | N367-K369 PolarHBondContact O-N 3.25Å; K369-V371 PolarHBondContact O-N 2.79Å; K369-V371 VanDerWaalsContact O-N 3.17Å |
| 370 | H | 60.5 | Low | 56.2 | Low | 142 Ų | 142 | 126.9 Ų | 126.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | | | trans | -80.2 | 96 | 178.2 | -179.4 | -94 | 0 | 0 | 0 | 111.2 | I368 P372 | I368-H370 HydrophobicContact CG2-CB 3.73Å; I368-H370 PolarHBondContact O-N 2.97Å; H370-P372 WeakPolarHBondContact O-CD 3.2Å |
| 371 | V | 62.3 | Low | 56.1 | Low | 127 Ų | 127 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | trans | -85 | 111.5 | 162.9 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | K369 G373 | K369-V371 PolarHBondContact O-N 2.79Å; K369-V371 VanDerWaalsContact O-N 3.17Å; V371-G373 PolarHBondContact O-N 2.77Å; V371-G373 VanDerWaalsContact O-N 3.08Å |
| 372 | P | 56.5 | Low | 56.7 | Low | 98 Ų | 98 | 126.5 Ų | 126.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | trans | -68 | 108.2 | 175.4 | 26.8 | -32.3 | 0 | 0 | 0 | 109.9 | H370 G374 | H370-P372 WeakPolarHBondContact O-CD 3.2Å; P372-G374 PolarHBondContact O-N 3.02Å |
| 373 | G | 53.7 | Low | 57.3 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | | | trans | -69.4 | 91.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V371 G375 | V371-G373 PolarHBondContact O-N 2.77Å; V371-G373 VanDerWaalsContact O-N 3.08Å; G373-G375 PolarHBondContact O-N 3.42Å |
| 374 | G | 57.2 | Low | 57.9 | Low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | trans | -64 | 129 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P372 N376 | P372-G374 PolarHBondContact O-N 3.02Å; G374-N376 PolarHBondContact O-N 3.49Å |
| 375 | G | 53.8 | Low | 58.4 | Low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | | | trans | -70.3 | 126.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G373 V377 | G373-G375 PolarHBondContact O-N 3.42Å; G375-V377 PolarHBondContact O-N 3.48Å |
| 376 | N | 58.3 | Low | 58.8 | Low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | | | trans | -90.1 | 95.5 | 175.6 | -175.7 | 4.6 | 0 | 0 | 0 | 110.4 | G374 Q378 | G374-N376 PolarHBondContact O-N 3.49Å; N376-Q378 PolarHBondContact O-N 3.44Å |
| 377 | V | 59.5 | Low | 59 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | | | trans | -93.6 | 86.1 | -175.5 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | G375 I379 | G375-V377 PolarHBondContact O-N 3.48Å; V377-I379 HydrophobicContact CG1-CD1 4.43Å; V377-I379 HydrophobicContact CG1-CG1 3.95Å; V377-I379 PolarHBondContact O-N 2.61Å |
| 378 | Q | 55.5 | Low | 59.3 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | | | trans | -81.7 | 99.4 | 171.2 | -86 | -172.1 | -15.1 | 0 | 0 | 111.9 | N376 V380 | N376-Q378 PolarHBondContact O-N 3.44Å; Q378-V380 PolarHBondContact O-N 2.9Å |
| 379 | I | 57.5 | Low | 59.2 | Low | 128 Ų | 128 | 130.7 Ų | 130.7 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | | | trans | -82.4 | 93.4 | 173.5 | -52.4 | -177.6 | 0 | 0 | 0 | 109.8 | V377 H381 | V377-I379 HydrophobicContact CG1-CD1 4.43Å; V377-I379 HydrophobicContact CG1-CG1 3.95Å; V377-I379 PolarHBondContact O-N 2.61Å; I379-H381 PolarHBondContact O-N 3.15Å; I379-H381 VanDerWaalsContact O-N 3.1Å |
| 380 | V | 59.2 | Low | 59.1 | Low | 126 Ų | 126 | 127.6 Ų | 127.6 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | trans | -75.3 | 98.5 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 110 | Q378 K382 | Q378-V380 PolarHBondContact O-N 2.9Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 2.85Å |
| 381 | H | 49.6 | Very low | 58.7 | Low | 160 Ų | 160 | 126.2 Ų | 126.2 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | | | trans | -76.4 | 70.7 | -172.2 | -167.2 | -79.8 | 0 | 0 | 0 | 113.6 | I379 K383 | I379-H381 PolarHBondContact O-N 3.15Å; I379-H381 VanDerWaalsContact O-N 3.1Å; H381-K383 PolarHBondContact O-N 2.88Å |
| 382 | K | 66.9 | Low | 58.4 | Low | 180 Ų | 180 | 130 Ų | 130 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | | | trans | -70.1 | 112.7 | 172.5 | -173.6 | 176.4 | -178 | 179.2 | 0 | 110 | V380 I384 | V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 2.85Å; K382-I384 PolarHBondContact O-N 2.9Å |
| 383 | K | 63.4 | Low | 58.2 | Low | 188 Ų | 188 | 131 Ų | 131 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | -60 | 133.3 | 175.4 | -66.2 | -172.8 | 179.5 | -176.4 | 0 | 110.4 | H381 | H381-K383 PolarHBondContact O-N 2.88Š|
| 384 | I | 63.7 | Low | 58.2 | Low | 137 Ų | 137 | 131 Ų | 131 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | | | trans | -115.9 | 125.7 | 171.1 | -59.8 | 173.3 | 0 | 0 | 0 | 106.1 | K382 L386 | K382-I384 PolarHBondContact O-N 2.9Å; I384-L386 HydrophobicContact CG2-CD2 4.16Å; I384-L386 HydrophobicContact CG2-CG 4.26Å |
| 385 | D | 56 | Low | 57.5 | Low | 138 Ų | 138 | 131.5 Ų | 131.5 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | trans | -90.8 | 128.7 | -178.7 | -151.9 | -40.1 | 0 | 0 | 0 | 109.9 | S387 | D385-S387 WeakPolarHBondContact OD1-CB 3.08Å; D385-S387 PolarHBondContact OD1-OG 2.85Å |
| 386 | L | 65.6 | Low | 57.8 | Low | 127 Ų | 127 | 138.1 Ų | 138.1 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | | | trans | -126 | 24.6 | -168.3 | -68.5 | 172.5 | 0 | 0 | 0 | 112.3 | I384 N388 | I384-L386 HydrophobicContact CG2-CD2 4.16Å; I384-L386 HydrophobicContact CG2-CG 4.26Å; L386-N388 PolarHBondContact O-N 2.81Å |
| 387 | S | 65.3 | Low | 57.7 | Low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -8.2 | -168.7 | 28.1 | 0 | 0 | 0 | 0 | 116.9 | D385 | D385-S387 WeakPolarHBondContact OD1-CB 3.08Å; D385-S387 PolarHBondContact OD1-OG 2.85Å |
| 388 | N | 61.4 | Low | 57.6 | Low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 16.7 | -174.2 | -74.9 | -50 | 0 | 0 | 0 | 115.4 | L386 T390 | L386-N388 PolarHBondContact O-N 2.81Å; N388-T390 PolarHBondContact O-N 2.81Å |
| 389 | V | 58.1 | Low | 57.8 | Low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | | | trans | -84.5 | 101.5 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 390 | T | 57.5 | Low | 57.8 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | -121.4 | 125.2 | 172.7 | 60 | 0 | 0 | 0 | 0 | 111.7 | N388 K392 | N388-T390 PolarHBondContact O-N 2.81Å; T390-K392 PolarHBondContact O-N 3.33Å |
| 391 | S | 50.8 | Low | 57.9 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | -92.5 | 98.1 | -174.8 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | C393 | S391-C393 PolarHBondContact O-N 3.41Š|
| 392 | K | 55.9 | Low | 58.4 | Low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | | | trans | -76.1 | 60.4 | 170.6 | -69.9 | -173.4 | 177.8 | 178.6 | 0 | 112.2 | T390 G394 | T390-K392 PolarHBondContact O-N 3.33Å; K392-G394 PolarHBondContact O-N 2.92Å; K392-G394 VanDerWaalsContact O-N 3.09Å |
| 393 | C | 52.5 | Low | 58.1 | Low | 118 Ų | 118 | 135.8 Ų | 135.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | | | trans | -81.9 | 80.3 | 175.9 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | S391 | S391-C393 PolarHBondContact O-N 3.41Š|
| 394 | G | 54.3 | Low | 57.7 | Low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | | | trans | -98.9 | 89.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K392 | K392-G394 PolarHBondContact O-N 2.92Å; K392-G394 VanDerWaalsContact O-N 3.09Å |
| 395 | S | 43.6 | Very low | 57.5 | Low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | | | trans | -136.4 | 124.8 | 161.9 | -155.1 | 0 | 0 | 0 | 0 | 110.7 | D397 | S395-D397 VanDerWaalsContact CB-OD1 3.26Å; S395-D397 WeakPolarHBondContact CB-OD1 3.45Å; S395-D397 PolarHBondContact O-N 2.96Å; S395-D397 PolarHBondContact OG-OD1 3.13Å |
| 396 | K | 60.2 | Low | 57.6 | Low | 211 Ų | 211 | 124.2 Ų | 124.2 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | | | trans | -99.5 | 73.1 | 176.1 | -71.6 | -175.4 | 176.4 | -177.6 | 0 | 108.5 | N398 | K396-N398 VanDerWaalsContact C-N 3.28Å; K396-N398 PolarHBondContact O-N 3.1Å |
| 397 | D | 56.2 | Low | 57.5 | Low | 88 Ų | 88 | 125.5 Ų | 125.5 | 47% | 0.471 | 75% | 0.746 | S | S | . | * | | | trans | -69.1 | 78.7 | -175.7 | -57.8 | -19 | 0 | 0 | 0 | 110.5 | K338 S395 I399 | K338-D397 IonicContact NZ-OD2 2.79Å; K338-D397 PolarHBondContact NZ-OD2 3.36Å; S395-D397 VanDerWaalsContact CB-OD1 3.26Å; S395-D397 WeakPolarHBondContact CB-OD1 3.45Å; S395-D397 PolarHBondContact O-N 2.96Å; S395-D397 PolarHBondContact OG-OD1 3.13Å; D397-I399 VanDerWaalsContact C-N 3.31Å; D397-I399 HydrophobicContact CB-CD1 4.38Å; D397-I399 HydrophobicContact CB-CG1 4.31Å; D397-I399 PolarHBondContact O-N 2.96Å |
| 398 | N | 55.8 | Low | 57.3 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | | | trans | -78.1 | 76.8 | 178.7 | -174.1 | 35.9 | 0 | 0 | 0 | 111.4 | K396 H400 | K396-N398 VanDerWaalsContact C-N 3.28Å; K396-N398 PolarHBondContact O-N 3.1Å; N398-H400 PolarHBondContact ND2-CD2 2.63Å; N398-H400 VanDerWaalsContact ND2-CD2 3.29Å; N398-H400 PolarHBondContact ND2-NE2 3.46Å; N398-H400 VanDerWaalsContact ND2-NE2 3.17Å; N398-H400 PolarHBondContact O-N 3.18Å; N398-H400 VanDerWaalsContact O-N 3.09Å |
| 399 | I | 61.2 | Low | 57.3 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | -80.9 | 89.4 | -174.8 | -56 | 173.3 | 0 | 0 | 0 | 110.4 | D397 H401 | D397-I399 VanDerWaalsContact C-N 3.31Å; D397-I399 HydrophobicContact CB-CD1 4.38Å; D397-I399 HydrophobicContact CB-CG1 4.31Å; D397-I399 PolarHBondContact O-N 2.96Å; I399-H401 HydrophobicContact CG2-CB 4.45Å; I399-H401 PolarHBondContact O-N 3.09Å; I399-H401 VanDerWaalsContact O-N 3.15Å |
| 400 | H | 57.3 | Low | 57.5 | Low | 164 Ų | 164 | 122.5 Ų | 122.5 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | -74.7 | 96.4 | 165.1 | -78.3 | -72.9 | 0 | 0 | 0 | 110.5 | N398 | N398-H400 PolarHBondContact ND2-CD2 2.63Å; N398-H400 VanDerWaalsContact ND2-CD2 3.29Å; N398-H400 PolarHBondContact ND2-NE2 3.46Å; N398-H400 VanDerWaalsContact ND2-NE2 3.17Å; N398-H400 PolarHBondContact O-N 3.18Å; N398-H400 VanDerWaalsContact O-N 3.09Å |
| 401 | H | 60.3 | Low | 57.3 | Low | 146 Ų | 146 | 124.4 Ų | 124.4 | 68% | 0.676 | 71% | 0.713 | S | S | * | * | | | trans | -102 | 121.9 | 172.4 | -179 | -109 | 0 | 0 | 0 | 111.2 | I399 | I399-H401 HydrophobicContact CG2-CB 4.45Å; I399-H401 PolarHBondContact O-N 3.09Å; I399-H401 VanDerWaalsContact O-N 3.15Å |
| 402 | K | 61.1 | Low | 57.8 | Low | 197 Ų | 197 | 125.2 Ų | 125.2 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | | | trans | -113.6 | 110.7 | 166.5 | -75.5 | -113 | -177.5 | -178.7 | 0 | 107.7 | G404 | K402-G404 PolarHBondContact O-N 2.98Š|
| 403 | P | 59.8 | Low | 58.3 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | | | trans | -67 | 119.3 | 177.1 | 26.3 | -32.1 | 0 | 0 | 0 | 109.9 | G405 | P403-G405 PolarHBondContact O-N 2.89Š|
| 404 | G | 55.4 | Low | 58.7 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | | | trans | -74.4 | 109.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | K402 | K402-G404 PolarHBondContact O-N 2.98Š|
| 405 | G | 59.2 | Low | 59.2 | Low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 70% | 0.697 | S | S | * | * | | | trans | -87.1 | 145.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | P403 | P403-G405 PolarHBondContact O-N 2.89Š|
| 406 | G | 58.6 | Low | 59.7 | Low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 70% | 0.703 | S | S | * | * | | | trans | 90.7 | 90.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 407 | N | 62.8 | Low | 59.3 | Low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | | | trans | -138.9 | 108.5 | 149.7 | -171.2 | 29.4 | 0 | 0 | 0 | 109.1 | | |
| 408 | V | 60.8 | Low | 59.5 | Low | 48 Ų | 48 | 134.4 Ų | 134.4 | 29% | 0.291 | 71% | 0.712 | S | S | . | * | | | trans | -133.3 | 110.2 | 176.7 | 147.3 | 0 | 0 | 0 | 0 | 108.9 | S8 S10 I410 | S8-V408 WeakPolarHBondContact O-CG2 3.23Å; S10-V408 VanDerWaalsContact N-CG2 3.3Å; V408-I410 HydrophobicContact CG1-CD1 3.96Å; V408-I410 HydrophobicContact CG1-CG1 3.6Å |
| 409 | E | 62.3 | Low | 59.4 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | | | trans | -99 | 89.1 | -176.4 | -168.4 | -166.5 | -172 | 0 | 0 | 109.4 | K411 | E409-K411 VanDerWaalsContact CD-CE 3.41Å; E409-K411 PolarHBondContact O-N 2.89Å; E409-K411 WeakPolarHBondContact OE1-CE 3.33Å; E409-K411 IonicContact OE1-NZ 3.42Å; E409-K411 PolarHBondContact OE1-NZ 3.3Å; E409-K411 IonicContact OE2-NZ 3.94Å; E409-K411 PolarHBondContact OE2-NZ 3.12Å |
| 410 | I | 61.7 | Low | 59.2 | Low | 118 Ų | 118 | 136.4 Ų | 136.4 | 61% | 0.605 | 72% | 0.722 | S | S | * | * | | | trans | -83.4 | 107.2 | 178.9 | -56.3 | -179.9 | 0 | 0 | 0 | 109.4 | V408 T412 | V408-I410 HydrophobicContact CG1-CD1 3.96Å; V408-I410 HydrophobicContact CG1-CG1 3.6Å; I410-T412 PolarHBondContact O-N 3.23Å |
| 411 | K | 54.6 | Low | 58.8 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | trans | -88.1 | 103.4 | 176.4 | -75.2 | 168.6 | 170.1 | 137.4 | 0 | 110.7 | E409 E413 | E409-K411 VanDerWaalsContact CD-CE 3.41Å; E409-K411 PolarHBondContact O-N 2.89Å; E409-K411 WeakPolarHBondContact OE1-CE 3.33Å; E409-K411 IonicContact OE1-NZ 3.42Å; E409-K411 PolarHBondContact OE1-NZ 3.3Å; E409-K411 IonicContact OE2-NZ 3.94Å; E409-K411 PolarHBondContact OE2-NZ 3.12Å; K411-E413 PolarHBondContact O-N 3.14Å |
| 412 | T | 59.8 | Low | 58.8 | Low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -85.1 | 99.4 | 172.7 | 50 | 0 | 0 | 0 | 0 | 111.1 | I410 | I410-T412 PolarHBondContact O-N 3.23Š|
| 413 | E | 67.3 | Low | 58.3 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | trans | -85.4 | 140.2 | 169.1 | -168.3 | 173.5 | 173.4 | 0 | 0 | 110.8 | K411 L415 | K411-E413 PolarHBondContact O-N 3.14Å; E413-L415 HydrophobicContact CG-CD1 4.27Å |
| 414 | K | 59.8 | Low | 57.8 | Low | 181 Ų | 181 | 131.4 Ų | 131.4 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | | | trans | -118.4 | 89.4 | -167.8 | -162.1 | -171.3 | -173.8 | -164.1 | 0 | 110.7 | E416 | K414-E416 PolarHBondContact O-N 3.03Š|
| 415 | L | 65.8 | Low | 57.4 | Low | 114 Ų | 114 | 131.7 Ų | 131.7 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | | | trans | -74.9 | 120.1 | 177.4 | -79.3 | 80.4 | 0 | 0 | 0 | 111.3 | E413 F417 | E413-L415 HydrophobicContact CG-CD1 4.27Å; L415-F417 HydrophobicContact CB-CD2 4.33Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 4.07Å; L415-F417 HydrophobicContact CD2-CE1 4.43Å; L415-F417 HydrophobicContact CD2-CE2 4.05Å; L415-F417 HydrophobicContact CD2-CZ 3.6Å; L415-F417 HydrophobicContact CG-CZ 4.49Å |
| 416 | E | 54.8 | Low | 57.1 | Low | 151 Ų | 151 | 136.2 Ų | 136.2 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | trans | -91.2 | 124 | 167 | -69 | -166.5 | 167.3 | 0 | 0 | 111 | K414 | K414-E416 PolarHBondContact O-N 3.03Š|
| 417 | F | 51.7 | Low | 57.1 | Low | 164 Ų | 164 | 139 Ų | 139 | 72% | 0.719 | 72% | 0.722 | S | S | * | * | | | trans | -107.3 | 97.7 | 176.4 | -69.8 | -78.6 | 0 | 0 | 0 | 111.5 | L415 V419 | L415-F417 HydrophobicContact CB-CD2 4.33Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 4.07Å; L415-F417 HydrophobicContact CD2-CE1 4.43Å; L415-F417 HydrophobicContact CD2-CE2 4.05Å; L415-F417 HydrophobicContact CD2-CZ 3.6Å; L415-F417 HydrophobicContact CG-CZ 4.49Å; F417-V419 HydrophobicContact CB-CG2 4.41Å; F417-V419 PolarHBondContact O-N 3.08Å; F417-V419 VanDerWaalsContact O-N 3.14Å |
| 418 | K | 60.7 | Low | 56.8 | Low | 196 Ų | 196 | 138.7 Ų | 138.7 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | | | trans | -78.7 | 89.2 | 169.6 | -74.2 | 175.9 | 180 | 168 | 0 | 110.3 | | |
| 419 | V | 52.2 | Low | 56.4 | Low | 120 Ų | 120 | 144 Ų | 144 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -112.5 | 113 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 110 | F417 S421 | F417-V419 HydrophobicContact CB-CG2 4.41Å; F417-V419 PolarHBondContact O-N 3.08Å; F417-V419 VanDerWaalsContact O-N 3.14Å; V419-S421 PolarHBondContact O-N 3.29Å |
| 420 | Q | 57.6 | Low | 56 | Low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -75.9 | 110 | 172.4 | -72.8 | -178.1 | -24 | 0 | 0 | 110.1 | K422 | Q420-K422 PolarHBondContact O-N 3.15Š|
| 421 | S | 49.5 | Very low | 55.4 | Low | 99 Ų | 99 | 143.2 Ų | 143.2 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | -74.1 | 107 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 111.1 | V419 V423 | V419-S421 PolarHBondContact O-N 3.29Å; S421-V423 PolarHBondContact O-N 3.2Å |
| 422 | K | 59.4 | Low | 55.7 | Low | 213 Ų | 213 | 141.4 Ų | 141.4 | 93% | 0.926 | 76% | 0.763 | S | S | * | * | | | trans | -73.5 | 76.1 | 167.1 | -71 | -178.8 | 177.8 | 177.5 | 0 | 110.6 | Q420 | Q420-K422 PolarHBondContact O-N 3.15Š|
| 423 | V | 51.3 | Low | 55.2 | Low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 130.4 | 162.4 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | S421 | S421-V423 PolarHBondContact O-N 3.2Š|
| 424 | G | 47.6 | Very low | 54.4 | Low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L426 | G424-L426 PolarHBondContact O-N 2.98Š|
| 425 | S | 47.1 | Very low | 53.6 | Low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -60 | 118.7 | 177.7 | -156.4 | 0 | 0 | 0 | 0 | 110.6 | D427 | S425-D427 WeakPolarHBondContact CB-OD2 3.37Å; S425-D427 PolarHBondContact OG-N 3.17Å; S425-D427 PolarHBondContact OG-OD1 3.08Å; S425-D427 PolarHBondContact OG-OD2 3.03Å |
| 426 | L | 53.9 | Low | 52.4 | Low | 168 Ų | 168 | 128.6 Ų | 128.6 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | -101.4 | 97 | 138.5 | -75.6 | -179.2 | 0 | 0 | 0 | 106 | G424 | G424-L426 PolarHBondContact O-N 2.98Š|
| 427 | D | 59.3 | Low | 52.2 | Low | 120 Ų | 120 | 130.3 Ų | 130.3 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | | | trans | -52.7 | 154.1 | 162.6 | -61.7 | -94.2 | 0 | 0 | 0 | 109.7 | S425 | S425-D427 WeakPolarHBondContact CB-OD2 3.37Å; S425-D427 PolarHBondContact OG-N 3.17Å; S425-D427 PolarHBondContact OG-OD1 3.08Å; S425-D427 PolarHBondContact OG-OD2 3.03Å |
| 428 | N | 56 | Low | 51.9 | Low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | | | trans | 77.6 | 81 | -169.3 | -42.9 | -75.2 | 0 | 0 | 0 | 115.2 | | |
| 429 | I | 52.6 | Low | 51.2 | Low | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | | -156.2 | 104.9 | 118.4 | -90.1 | 142.4 | 0 | 0 | 0 | 107.3 | H431 | I429-H431 VanDerWaalsContact C-N 3.33Å; I429-H431 HydrophobicContact CG2-CB 4.17Å; I429-H431 PolarHBondContact O-N 2.99Å; I429-H431 VanDerWaalsContact O-N 3.09Å |
| 430 | G | 52.5 | Low | 50.8 | Low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -82.5 | 70.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V432 | G430-V432 PolarHBondContact O-N 2.9Š|
| 431 | H | 50.9 | Low | 49.7 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | | | trans | -77.8 | 91.4 | 179.3 | -163.6 | -29.4 | 0 | 0 | 0 | 111.6 | I429 P433 | I429-H431 VanDerWaalsContact C-N 3.33Å; I429-H431 HydrophobicContact CG2-CB 4.17Å; I429-H431 PolarHBondContact O-N 2.99Å; I429-H431 VanDerWaalsContact O-N 3.09Å; H431-P433 WeakPolarHBondContact O-CD 3.16Å |
| 432 | V | 59.5 | Low | 49 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | trans | -64.1 | 127.1 | 164.4 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | G430 G434 | G430-V432 PolarHBondContact O-N 2.9Å; V432-G434 PolarHBondContact O-N 3Å |
| 433 | P | 50.6 | Low | 47.8 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -71.9 | 99.7 | 176.5 | -18.7 | 33 | 0 | 0 | 0 | 110.6 | H431 G435 | H431-P433 WeakPolarHBondContact O-CD 3.16Å; P433-G435 PolarHBondContact O-N 2.98Å |
| 434 | G | 49.7 | Very low | 46.9 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 65.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | V432 G436 | V432-G434 PolarHBondContact O-N 3Å; G434-G436 PolarHBondContact O-N 3.21Å |
| 435 | G | 42.4 | Very low | 46.2 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -69.6 | 72 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P433 Q437 | P433-G435 PolarHBondContact O-N 2.98Å; G435-Q437 PolarHBondContact O-N 3.25Å |
| 436 | G | 41.4 | Very low | 45.5 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | trans | -61.4 | 124.3 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | G434 R438 | G434-G436 PolarHBondContact O-N 3.21Å; G436-R438 PolarHBondContact O-N 3.08Å |
| 437 | Q | 49.5 | Very low | 44.3 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -63.4 | 126.7 | 168.4 | -63.6 | -169.4 | 18.1 | 0 | 0 | 109.7 | G435 | G435-Q437 PolarHBondContact O-N 3.25Š|
| 438 | R | 45.5 | Very low | 43 | Very low | 244 Ų | 244 | 140.4 Ų | 140.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -122.8 | 75.3 | 165.5 | -71 | -170.2 | 177.5 | 175.5 | 0.8 | 110 | G436 R440 | G436-R438 PolarHBondContact O-N 3.08Å; R438-R440 PolarHBondContact O-N 3.25Å |
| 439 | K | 45.9 | Very low | 41.8 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -58.6 | 130.8 | 161.8 | -161 | -176.1 | -176.9 | -165.7 | 0 | 107.3 | | |
| 440 | R | 43.9 | Very low | 40.9 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | trans | -90.1 | 115.2 | -172.8 | -170.9 | -164 | -54.2 | 103 | -1.7 | 109.7 | R438 | R438-R440 PolarHBondContact O-N 3.25Š|
| 441 | E | 34.7 | Very low | 40 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -120.6 | 157.3 | 177.8 | -156.8 | 100.1 | -120.6 | 0 | 0 | 110.3 | | |
| 442 | K | 36.2 | Very low | 39.1 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -97.3 | 149.5 | 173 | -67.6 | 177.2 | 175.9 | 179 | 0 | 109.8 | | |
| 443 | G | 33.1 | Very low | 37.8 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 141.3 | 111.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 444 | K | 32.9 | Very low | 37 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | | 48.2 | 119.9 | 120.4 | -80.2 | -176.5 | 144.2 | -78.5 | 0 | 121.1 | | |
| 445 | D | 32.1 | Very low | 36.1 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 78% | 0.78 | S | S | * | * | | | | 78 | 143.3 | 126.9 | -47.3 | -16 | 0 | 0 | 0 | 121.2 | | |
| 446 | A | 31.9 | Very low | 35.9 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | 74 | 118.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 447 | E | 29.5 | Very low | 36.1 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | | 29.6 | 155.3 | 126.4 | -55.9 | -172.3 | 128.9 | 0 | 0 | 123.9 | | |
| 448 | G | 31.4 | Very low | 35.6 | Very low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | 98.8 | 122.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 449 | S | 31.6 | Very low | 35.7 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | 99.4 | 107.6 | 25.3 | 81.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 450 | V | 33 | Very low | 35.1 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | 67.9 | 134 | 148 | -55.3 | 0 | 0 | 0 | 0 | 123 | | |
| 451 | S | 34.5 | Very low | 34.5 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | 68.6 | 136.8 | 134.6 | 59.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 452 | D | 31.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 70 | 155.1 | 143.7 | -61.9 | -18.5 | 0 | 0 | 0 | 121.8 | | |
| 453 | S | 31.2 | Very low | 35.7 | Very low | 91 Ų | 91 | 123.6 Ų | 123.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -163.8 | 165.8 | -34.1 | 69.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 454 | M | 34.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 125.6 Ų | 125.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | 67.4 | 146.6 | 150.4 | -70 | -58.5 | 104.8 | 0 | 0 | 124.4 | | |
| 455 | S | 30.5 | Very low | 36.5 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | 98.9 | 135.6 | 147 | 78.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 456 | I | 39 | Very low | 36.6 | Very low | 152 Ų | 152 | 124.5 Ų | 124.5 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -142.8 | 147 | 168.7 | -29.1 | 175.5 | 0 | 0 | 0 | 105.4 | | |
| 457 | P | 45.2 | Very low | 37.9 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | | -149.3 | 167.8 | 103.1 | 36.4 | -18.9 | 0 | 0 | 0 | 115.5 | | |
| 458 | S | 38.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -110.4 | 157.5 | 173.6 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 459 | P | 48.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | | -148.9 | 136 | 123.1 | 34.7 | -16.5 | 0 | 0 | 0 | 115.3 | | |
| 460 | V | 32 | Very low | 38.8 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | | 88 | 150.6 | 89.2 | 176 | 0 | 0 | 0 | 0 | 115.9 | | |
| 461 | V | 32.3 | Very low | 39.9 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | 124.9 | 142.2 | 159.9 | 179.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 462 | T | 35.3 | Very low | 39.9 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -140.1 | -167.9 | -174.3 | -26 | 0 | 0 | 0 | 0 | 111.7 | | |
| 463 | P | 60.9 | Low | 40.2 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | | -99.1 | -177.5 | -123.6 | 45.5 | -31.2 | 0 | 0 | 0 | 116.2 | | |
| 464 | P | 49.3 | Very low | 40.9 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | | -148 | -158.3 | 95 | 43.7 | -25.3 | 0 | 0 | 0 | 112.2 | | |
| 465 | Q | 33.1 | Very low | 40.9 | Very low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | cis | -160.1 | 177.7 | -2.9 | -145.7 | 160.5 | -31.7 | 0 | 0 | 111.9 | | |
| 466 | S | 34.5 | Very low | 41.3 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -147.7 | -176.1 | 171.4 | -34.5 | 0 | 0 | 0 | 0 | 110 | | |
| 467 | P | 60.3 | Low | 41.5 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | cis | -136 | -170.8 | -15.7 | 43.4 | -26.8 | 0 | 0 | 0 | 114.1 | | |
| 468 | Q | 32.8 | Very low | 41.1 | Very low | 193 Ų | 193 | 125.3 Ų | 125.3 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | | | trans | -165 | 172.5 | 146.4 | -118.8 | 175 | 78.5 | 0 | 0 | 114.6 | | |
| 469 | T | 35 | Very low | 40.9 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | | | trans | -153.5 | 172.9 | -157.1 | -38.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 470 | V | 41.8 | Very low | 40.3 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | trans | 87.9 | 160.6 | 161.4 | -48.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 471 | P | 57.7 | Low | 40.5 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | | -140.9 | 177.5 | -63.9 | 42.3 | -26.3 | 0 | 0 | 0 | 115.2 | | |
| 472 | S | 33.5 | Very low | 41.3 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | 145.7 | 164.4 | 139.6 | -65.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 473 | A | 37.5 | Very low | 41.3 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -153 | -175.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 474 | P | 47.6 | Very low | 40.5 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | | | cis | -142.4 | -173.1 | -0.2 | 45.6 | -26.7 | 0 | 0 | 0 | 116.8 | | |
| 475 | T | 34.8 | Very low | 40.4 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | trans | 72.9 | 100.2 | 146 | -48.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 476 | T | 38.2 | Very low | 40.9 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | | | trans | 64.7 | 152.7 | 148 | 69 | 0 | 0 | 0 | 0 | 120.6 | | |
| 477 | P | 43.5 | Very low | 41.4 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | | -136.6 | -170.4 | 87.2 | 40.6 | -27.7 | 0 | 0 | 0 | 115.1 | | |
| 478 | I | 36.3 | Very low | 41 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -111 | 167.5 | -173.9 | -81.6 | 172.6 | 0 | 0 | 0 | 111.3 | | |
| 479 | L | 33.9 | Very low | 41.7 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -6.8 | 151.4 | 164.4 | -85.1 | 61 | 0 | 0 | 0 | 118.4 | | |
| 480 | T | 37.3 | Very low | 42 | Very low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | cis | -171.5 | 158.9 | 35.5 | -15.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 481 | N | 35.6 | Very low | 42 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | | 156.2 | 140.8 | 124.3 | -89.7 | -20.2 | 0 | 0 | 0 | 114.9 | | |
| 482 | P | 49.3 | Very low | 41.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | | | trans | -122.7 | 113.3 | 146.6 | 34.1 | -21.1 | 0 | 0 | 0 | 112.5 | | |
| 483 | L | 35.5 | Very low | 41.6 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | 28.1 | 103.6 | 143.9 | -164.7 | 75.9 | 0 | 0 | 0 | 119.2 | | |
| 484 | I | 43.9 | Very low | 41.9 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | | | trans | -127.1 | 140.1 | 153.2 | -65.2 | -178.4 | 0 | 0 | 0 | 108.2 | | |
| 485 | K | 46.1 | Very low | 41.5 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | | | trans | -100.7 | 157.9 | 172.2 | -54.5 | 176.4 | -179.4 | -178.6 | 0 | 109.3 | | |
| 486 | I | 43.1 | Very low | 41.9 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | | 174.4 | 126.3 | 125.2 | -92.1 | 157.5 | 0 | 0 | 0 | 111.3 | | |
| 487 | E | 45.9 | Very low | 42.2 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | 46.9 | 140 | 145.3 | -59.7 | 166.9 | 168.6 | 0 | 0 | 123.5 | | |
| 488 | D | 52.3 | Low | 42.1 | Very low | 158 Ų | 158 | 155.7 Ų | 155.7 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -79.2 | 146.4 | 168.2 | -45.5 | -95.2 | 0 | 0 | 0 | 112.3 | | |
| 489 | S | 46.2 | Very low | 42.6 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -166.9 | 124.3 | 143.8 | -84.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 490 | H | 42.2 | Very low | 43.4 | Very low | 265 Ų | 265 | 157 Ų | 157 | 100% | 1.227 | 83% | 0.825 | S | S | * | * | | | trans | 30.7 | 0 | 151.6 | -68 | -66.3 | 0 | 0 | 0 | 120.5 | | |