| 1 | M | 42.5 | Very low | 50.5 | Low | 232 Ų | 232 | 141.9 Ų | 141.9 | 100% | 1.143 | 83% | 0.833 | S | S | * | * | | | | 0 | 128.3 | 0 | -66.9 | 155.9 | 69.4 | 0 | 0 | 108.4 | | |
| 2 | S | 48.6 | Very low | 50.7 | Low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -108.7 | 101.1 | -172.9 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 3 | N | 47.6 | Very low | 50.6 | Low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | | | trans | -121.1 | 95 | -178.6 | -76.9 | -14.5 | 0 | 0 | 0 | 112.2 | | |
| 4 | R | 61.9 | Low | 51.1 | Low | 240 Ų | 240 | 148.4 Ų | 148.4 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | | | trans | -141.5 | 127 | 149.2 | -77.3 | -164.6 | 175 | -170.5 | -1.5 | 108.7 | N6 | R4-N6 PolarHBondContact O-N 3.07Š|
| 5 | P | 58.1 | Low | 51.5 | Low | 114 Ų | 114 | 153.7 Ų | 153.7 | 74% | 0.74 | 84% | 0.837 | S | S | * | * | | | trans | -73.6 | 124.4 | -179.9 | 28.9 | -33.3 | 0 | 0 | 0 | 111.1 | N7 | P5-N7 PolarHBondContact O-N 3.12Å; P5-N7 VanDerWaalsContact O-N 3.12Å |
| 6 | N | 50.7 | Low | 51.3 | Low | 143 Ų | 143 | 151.3 Ų | 151.3 | 77% | 0.765 | 84% | 0.835 | S | S | * | * | | | trans | -81.3 | 83.1 | 174.3 | -178.8 | 16.4 | 0 | 0 | 0 | 110.5 | R4 N8 | R4-N6 PolarHBondContact O-N 3.07Å; N6-N8 PolarHBondContact O-N 3Å |
| 7 | N | 47.7 | Very low | 51.5 | Low | 146 Ų | 146 | 153.9 Ų | 153.9 | 78% | 0.781 | 84% | 0.84 | S | S | * | * | | | trans | -84.7 | 95.8 | 171.4 | -79.3 | -47.4 | 0 | 0 | 0 | 110 | P5 | P5-N7 PolarHBondContact O-N 3.12Å; P5-N7 VanDerWaalsContact O-N 3.12Å |
| 8 | N | 50.3 | Low | 51.7 | Low | 138 Ų | 138 | 157.9 Ų | 157.9 | 74% | 0.738 | 84% | 0.84 | S | S | * | * | | | trans | -129.2 | 93.1 | 177.9 | -158.4 | -6.1 | 0 | 0 | 0 | 110.2 | N6 | N6-N8 PolarHBondContact O-N 3Š|
| 9 | P | 53.2 | Low | 51.3 | Low | 118 Ų | 118 | 157.9 Ų | 157.9 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | | | trans | -81.4 | 135.4 | -169 | 30.9 | -34.3 | 0 | 0 | 0 | 113.5 | | |
| 10 | G | 47.8 | Very low | 51.2 | Low | 77 Ų | 77 | 157.7 Ų | 157.7 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | | | trans | 77.8 | 30.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | S12 | G10-S12 PolarHBondContact O-N 2.98Š|
| 11 | G | 46.7 | Very low | 50.9 | Low | 90 Ų | 90 | 154.4 Ų | 154.4 | 93% | 0.928 | 84% | 0.84 | S | S | * | * | | | trans | -68.6 | 47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 12 | S | 52.8 | Low | 51 | Low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | | | trans | -158.5 | 90.9 | 173.6 | -167.9 | 0 | 0 | 0 | 0 | 115 | G10 | G10-S12 PolarHBondContact O-N 2.98Š|
| 13 | L | 49.8 | Very low | 50.7 | Low | 161 Ų | 161 | 146.5 Ų | 146.5 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | | | trans | -148.5 | 54.6 | 153.4 | -157.5 | 68.3 | 0 | 0 | 0 | 113.2 | R15 | L13-R15 PolarHBondContact O-N 3.06Š|
| 14 | R | 58.2 | Low | 50.3 | Low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 82% | 0.824 | S | S | * | * | | | trans | -71.1 | 74.4 | 166 | -92.2 | -173.9 | 161.5 | -121.5 | -0.9 | 110.9 | | |
| 15 | R | 56.4 | Low | 49.6 | Very low | 229 Ų | 229 | 140.4 Ų | 140.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -173.8 | 89.8 | 157.6 | -106.9 | 179 | -59.3 | -101.9 | 3.2 | 111.2 | L13 | L13-R15 PolarHBondContact O-N 3.06Š|
| 16 | S | 48.8 | Very low | 48.7 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -142.1 | 75.3 | 153 | -162.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 17 | Q | 53.8 | Low | 48 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | trans | -109 | 97.6 | 151.6 | -83.4 | -176.2 | -23.7 | 0 | 0 | 106.5 | | |
| 18 | R | 55.1 | Low | 47.6 | Very low | 227 Ų | 227 | 140.7 Ų | 140.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | trans | -134.3 | 133.4 | 158.4 | -72.6 | -173.3 | -177.8 | 153.6 | 0.5 | 106.5 | T20 | R18-T20 PolarHBondContact O-N 3.4Š|
| 19 | N | 44.8 | Very low | 47.2 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -76.3 | 110.8 | 178.8 | -59.4 | -22.5 | 0 | 0 | 0 | 108.3 | A21 | N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.85Å; N19-A21 VanDerWaalsContact O-N 3.13Å |
| 20 | T | 49.7 | Very low | 46.7 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | | | trans | -82.7 | 81.2 | 168.9 | -51.3 | 0 | 0 | 0 | 0 | 108.4 | R18 | R18-T20 PolarHBondContact O-N 3.4Š|
| 21 | A | 45 | Very low | 46.1 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -111.2 | 122.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | N19 | N19-A21 VanDerWaalsContact C-N 3.31Å; N19-A21 PolarHBondContact O-N 2.85Å; N19-A21 VanDerWaalsContact O-N 3.13Å |
| 22 | G | 44.1 | Very low | 45.5 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | | | trans | 71.6 | 84.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 23 | A | 41.8 | Very low | 44.9 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | -152.7 | 83.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 24 | Q | 40.6 | Very low | 44.4 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -83.7 | 133.4 | 170.6 | -178.6 | -171.9 | -16.6 | 0 | 0 | 109.1 | | |
| 25 | P | 45.2 | Very low | 43.2 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 119 | 162.3 | 31 | -30 | 0 | 0 | 0 | 109.8 | | |
| 26 | Q | 39.5 | Very low | 42.4 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | trans | -114.7 | 104.5 | 156.5 | -85.2 | -162.8 | -106 | 0 | 0 | 108.1 | D28 | Q26-D28 VanDerWaalsContact C-N 3.25Å; Q26-D28 PolarHBondContact NE2-OD2 3.45Å; Q26-D28 PolarHBondContact O-N 3.35Å; Q26-D28 VanDerWaalsContact O-N 3.16Å |
| 27 | D | 36.2 | Very low | 41.6 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -85.3 | 61.9 | 174.3 | -69.4 | -65.1 | 0 | 0 | 0 | 110.8 | S29 | D27-S29 PolarHBondContact O-N 2.82Š|
| 28 | D | 40.2 | Very low | 40.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | | | trans | -94.3 | 79.4 | -179.8 | -79.2 | -66.4 | 0 | 0 | 0 | 111.9 | Q26 I30 | Q26-D28 VanDerWaalsContact C-N 3.25Å; Q26-D28 PolarHBondContact NE2-OD2 3.45Å; Q26-D28 PolarHBondContact O-N 3.35Å; Q26-D28 VanDerWaalsContact O-N 3.16Å; D28-I30 PolarHBondContact O-N 3.13Å; D28-I30 VanDerWaalsContact O-N 3.09Å |
| 29 | S | 41.7 | Very low | 39.8 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -77.7 | 89 | 178.1 | -69.6 | 0 | 0 | 0 | 0 | 112.9 | D27 G31 | D27-S29 PolarHBondContact O-N 2.82Å; S29-G31 PolarHBondContact O-N 3.32Å |
| 30 | I | 43 | Very low | 39.5 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | 41.2 | 63.7 | 151.6 | -45.4 | 178.7 | 0 | 0 | 0 | 114.6 | D28 | D28-I30 PolarHBondContact O-N 3.13Å; D28-I30 VanDerWaalsContact O-N 3.09Å |
| 31 | G | 35.2 | Very low | 39 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -97.6 | 110.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110 | S29 | S29-G31 PolarHBondContact O-N 3.32Š|
| 32 | G | 34.1 | Very low | 38.5 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -69.2 | 151.1 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 33 | R | 40.8 | Very low | 38 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -138.9 | 156 | 152.8 | -148.4 | 169.2 | -168.9 | -116.7 | 2.6 | 110.1 | | |
| 34 | S | 37.6 | Very low | 37.7 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | | | trans | -110.6 | -176.6 | -164.9 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 35 | H | 34.7 | Very low | 37.6 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 64% | 0.644 | 78% | 0.782 | S | S | * | * | | | trans | 67.7 | 133.7 | 157.3 | 62.6 | -97.5 | 0 | 0 | 0 | 121.1 | | |
| 36 | L | 38.5 | Very low | 37.9 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | 70.1 | 131.9 | 161 | -146.4 | 69.9 | 0 | 0 | 0 | 117.2 | | |
| 37 | G | 31.4 | Very low | 38.7 | Very low | 62 Ų | 62 | 143.3 Ų | 143.3 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | cis | 171.4 | 164.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 38 | Q | 34.8 | Very low | 38.6 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | 57.1 | 93.7 | 163.3 | -57.4 | -64.6 | -12.2 | 0 | 0 | 119.4 | | |
| 39 | A | 37.8 | Very low | 38.6 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -143.7 | 95.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 40 | K | 38 | Very low | 38.3 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | | | trans | -73.8 | 137.7 | 177.5 | -64.6 | 174.1 | -179 | 172.2 | 0 | 110.8 | | |
| 41 | R | 39.3 | Very low | 38.1 | Very low | 250 Ų | 250 | 146.6 Ų | 146.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | | | | -150.3 | 141.1 | 116.1 | -78.2 | -141.5 | 173.9 | -115.8 | -5.4 | 111.5 | | |
| 42 | K | 34.2 | Very low | 38.3 | Very low | 212 Ų | 212 | 148 Ų | 148 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | | | trans | -75.8 | 154.8 | 165.2 | -62.9 | -108.4 | -172.5 | 173.5 | 0 | 108.7 | | |
| 43 | G | 34.2 | Very low | 38.3 | Very low | 63 Ų | 63 | 151.8 Ų | 151.8 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | 142.9 | 139.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 44 | Y | 34.2 | Very low | 38.1 | Very low | 233 Ų | 233 | 150.2 Ų | 150.2 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | | | trans | -153.2 | 142.3 | 165.9 | -127.8 | -89.8 | 0 | 0 | 0 | 109.1 | | |
| 45 | I | 40.2 | Very low | 38 | Very low | 147 Ų | 147 | 156 Ų | 156 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -156.5 | 155.6 | -160.5 | -80.9 | 179.6 | 0 | 0 | 0 | 109.5 | | |
| 46 | P | 51.3 | Low | 38.3 | Very low | 105 Ų | 105 | 153.4 Ų | 153.4 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | | | cis | -98.6 | -92.6 | -12.3 | 18.5 | 3.9 | 0 | 0 | 0 | 109.3 | | |
| 47 | P | 55 | Low | 38.6 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | cis | -82 | -171.1 | -20.8 | -10.8 | 31.2 | 0 | 0 | 0 | 114.1 | | |
| 48 | E | 35.1 | Very low | 38.7 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -129.9 | 145.4 | 165.4 | -58.2 | -174.8 | 148.3 | 0 | 0 | 111.8 | R50 | E48-R50 IonicContact OE2-CZ 3.68Å; E48-R50 IonicContact OE2-NE 3.82Å; E48-R50 PolarHBondContact OE2-NE 3.3Å; E48-R50 IonicContact OE2-NH2 3.12Å; E48-R50 PolarHBondContact OE2-NH2 3.47Å |
| 49 | S | 38.9 | Very low | 38.6 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | -151.3 | 116.8 | 139.2 | 55.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 50 | R | 36.9 | Very low | 38.3 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | | 73.3 | 105.5 | 53.9 | -66 | -171.5 | 176 | -142.8 | -7.9 | 114.2 | E48 | E48-R50 IonicContact OE2-CZ 3.68Å; E48-R50 IonicContact OE2-NE 3.82Å; E48-R50 PolarHBondContact OE2-NE 3.3Å; E48-R50 IonicContact OE2-NH2 3.12Å; E48-R50 PolarHBondContact OE2-NH2 3.47Å |
| 51 | K | 38.3 | Very low | 38.2 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | 80.1 | 120.1 | 150.5 | -57.8 | 171.5 | -178.2 | -177.3 | 0 | 117.6 | | |
| 52 | S | 38.9 | Very low | 38 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -47.8 | 145.2 | 151.2 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 53 | N | 35 | Very low | 38 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -158.9 | 137.3 | 143.1 | -102.2 | -46.7 | 0 | 0 | 0 | 111.6 | | |
| 54 | F | 36.7 | Very low | 38.2 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -69.5 | 147 | 166.3 | -93.7 | -106.6 | 0 | 0 | 0 | 110.5 | | |
| 55 | K | 34.1 | Very low | 38.1 | Very low | 210 Ų | 210 | 141 Ų | 141 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | | | trans | -154.6 | 129.6 | 149 | -134.8 | 88.7 | 172.3 | -167.5 | 0 | 110.9 | | |
| 56 | A | 40.5 | Very low | 37.8 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | -135.8 | 139.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 57 | P | 45.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | trans | -84.4 | 139.6 | 163.6 | 33.1 | -29.8 | 0 | 0 | 0 | 109.5 | | |
| 58 | K | 34.1 | Very low | 36 | Very low | 191 Ų | 191 | 141 Ų | 141 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | | | cis | 111.4 | 92.8 | 12 | -172 | -178 | 178.7 | -177.1 | 0 | 113.3 | | |
| 59 | V | 33.2 | Very low | 36.1 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -146.2 | 107.5 | 161.7 | -176.4 | 0 | 0 | 0 | 0 | 104.1 | | |
| 60 | Q | 30.9 | Very low | 35.8 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | | 58.2 | 129.5 | 90.2 | -72.7 | -179.5 | -50.1 | 0 | 0 | 114.1 | | |
| 61 | S | 36.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | cis | -157.7 | -166.5 | -10 | -64 | 0 | 0 | 0 | 0 | 107.3 | | |
| 62 | N | 34.6 | Very low | 35.4 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | cis | -161.6 | 160.3 | 2.3 | -160.3 | 19.5 | 0 | 0 | 0 | 111.1 | | |
| 63 | T | 33.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | | | trans | 58.7 | 155.9 | 159.5 | 44.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 64 | T | 38.3 | Very low | 35.2 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | cis | -135.4 | -157.8 | 9.7 | -34.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 65 | S | 31.4 | Very low | 35.2 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | -105.6 | -162.1 | -158.5 | 69.1 | 0 | 0 | 0 | 0 | 117 | | |
| 66 | E | 35.5 | Very low | 35 | Very low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | trans | 71.2 | 115.6 | -175.7 | -49.2 | -45.1 | 98.7 | 0 | 0 | 115.7 | | |
| 67 | L | 35.3 | Very low | 34.6 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | | 68.5 | 135.7 | 53.7 | -57 | -178.8 | 0 | 0 | 0 | 112.3 | | |
| 68 | S | 33.6 | Very low | 33.9 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | | | cis | -155.8 | 174.7 | 6 | -152 | 0 | 0 | 0 | 0 | 112.8 | | |
| 69 | R | 36.5 | Very low | 33.9 | Very low | 243 Ų | 243 | 134.5 Ų | 134.5 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | | | trans | 32.1 | 133.1 | 152.5 | -74.4 | 172.8 | 165.9 | 126.7 | -6 | 121.3 | | |
| 70 | G | 32.9 | Very low | 33.9 | Very low | 87 Ų | 87 | 134.4 Ų | 134.4 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | | | trans | 174.7 | 80.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 71 | H | 34.3 | Very low | 34 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -112.2 | 135.9 | -174.5 | -140.7 | -42.3 | 0 | 0 | 0 | 111.4 | | |
| 72 | L | 32.3 | Very low | 33.9 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | 69.6 | 167.4 | 170.3 | -43 | 174.9 | 0 | 0 | 0 | 113.7 | | |
| 73 | S | 33.3 | Very low | 33.9 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | cis | -152.8 | -177.7 | 15.1 | -160.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 74 | K | 36.8 | Very low | 34.1 | Very low | 164 Ų | 164 | 132 Ų | 132 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -87.9 | 156.9 | -173.8 | -49.4 | 167 | 179.7 | 174.2 | 0 | 113.1 | | |
| 75 | R | 36.4 | Very low | 34.2 | Very low | 218 Ų | 218 | 131.2 Ų | 131.2 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | | | trans | 72.9 | 157.4 | 161.4 | -62.8 | 171 | -67.9 | -154.9 | 3.8 | 115.2 | | |
| 76 | S | 30.3 | Very low | 35 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | cis | -171.4 | 175.9 | -21.2 | -90.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 77 | C | 30.5 | Very low | 34.9 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 74.5 | 162.5 | 161.2 | -54.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 78 | S | 31.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | cis | -171.8 | 150.6 | -45.8 | -98.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 79 | S | 34 | Very low | 35.3 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | 60 | 115.6 | 149.7 | -56.4 | 0 | 0 | 0 | 0 | 122.2 | | |
| 80 | S | 33.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 88% | 0.881 | 75% | 0.752 | S | S | * | * | | | | 172.8 | 134.5 | 124 | -76.4 | 0 | 0 | 0 | 0 | 109 | | |
| 81 | S | 33.3 | Very low | 36 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | | | cis | -139.1 | -159.2 | -3.7 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 82 | A | 33.5 | Very low | 35.9 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 63% | 0.628 | 74% | 0.741 | S | S | * | * | | | cis | -152.8 | 155.8 | 4.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 83 | V | 35 | Very low | 36 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 79% | 0.788 | 75% | 0.745 | S | S | * | * | | | | 55.3 | 117.3 | 92.7 | -174.6 | 0 | 0 | 0 | 0 | 115 | | |
| 84 | I | 36.7 | Very low | 35.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | cis | -163.5 | 133.8 | -17.5 | -112.3 | 160.3 | 0 | 0 | 0 | 104.5 | | |
| 85 | V | 40.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | | | | 75.7 | 142.9 | 57.7 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 86 | P | 49.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 74% | 0.74 | 69% | 0.69 | S | S | * | * | | | cis | -110.5 | 164.2 | 17.7 | 13.9 | 12 | 0 | 0 | 0 | 115.3 | | |
| 87 | Q | 33.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 116.4 Ų | 116.4 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | | | | 70.4 | 151.4 | 53.3 | -75.1 | -71.8 | 64.8 | 0 | 0 | 115 | E89 | Q87-E89 PolarHBondContact NE2-OE1 3.02Š|
| 88 | P | 45.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | | | cis | -137.8 | 159.4 | 4.2 | 24.7 | 0.8 | 0 | 0 | 0 | 120 | | |
| 89 | E | 30.6 | Very low | 36.1 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | | | trans | 48 | 153.4 | 140.8 | -48.3 | -49.5 | 142.2 | 0 | 0 | 126.8 | Q87 | Q87-E89 PolarHBondContact NE2-OE1 3.02Š|
| 90 | D | 37.2 | Very low | 35.8 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | | | trans | -79.7 | 177.9 | 159.9 | -131.3 | -14.1 | 0 | 0 | 0 | 108.7 | K386 | D90-K386 IonicContact OD1-NZ 3.03Å; D90-K386 PolarHBondContact OD1-NZ 3.29Å; D90-K386 IonicContact OD2-NZ 2.71Å; D90-K386 PolarHBondContact OD2-NZ 3.21Å |
| 91 | P | 48.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 69% | 0.688 | S | S | * | * | | | cis | -147.3 | -179.1 | 29.2 | 45.5 | -24.5 | 0 | 0 | 0 | 118.8 | | |
| 92 | D | 31.1 | Very low | 35.8 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | | | trans | 65.5 | 171.3 | 147 | -128.4 | -34.4 | 0 | 0 | 0 | 122.9 | | |
| 93 | R | 34.6 | Very low | 35.9 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 70% | 0.697 | S | S | * | * | | | trans | 74 | 153.2 | 170.3 | -146.6 | 167.7 | -179.7 | -145 | -0.6 | 117.9 | | |
| 94 | A | 31.6 | Very low | 35.8 | Very low | 39 Ų | 39 | 132.5 Ų | 132.5 | 32% | 0.322 | 70% | 0.701 | S | S | . | * | | | trans | -124.3 | 167 | -164 | 0 | 0 | 0 | 0 | 0 | 112.9 | R387 | A94-R387 WeakPolarHBondContact CA-O 3.35Å; A94-R387 HydrophobicContact CB-CB 3.64Å |
| 95 | N | 31 | Very low | 36.1 | Very low | 73 Ų | 73 | 131.8 Ų | 131.8 | 39% | 0.39 | 70% | 0.703 | S | S | . | * | | | trans | -161.9 | -141.4 | 132.9 | 54.6 | 46.4 | 0 | 0 | 0 | 112.1 | A389 A390 E391 | N95-A389 VanDerWaalsContact OD1-CA 3.24Å; N95-A389 WeakPolarHBondContact OD1-CA 3.24Å; N95-A389 WeakPolarHBondContact OD1-CB 3.43Å; N95-A390 PolarHBondContact OD1-N 2.71Å; N95-E391 PolarHBondContact ND2-OE2 2.74Å; N95-E391 PolarHBondContact OD1-N 3.14Å; N95-E391 VanDerWaalsContact OD1-N 3.14Å |
| 96 | T | 32 | Very low | 36.4 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 44% | 0.442 | 70% | 0.703 | S | S | . | * | | | trans | -61.6 | -175.6 | -177.6 | 21.2 | 0 | 0 | 0 | 0 | 112.4 | A389 A390 | T96-A389 CarbonylContact O-C 3.02Å; T96-A389 WeakPolarHBondContact O-CA 3Å; T96-A390 WeakPolarHBondContact O-CB 3.2Å; T96-A390 PolarHBondContact O-N 2.78Å; T96-A390 PolarHBondContact OG1-O 3.3Å |
| 97 | S | 34.5 | Very low | 35.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | | | cis | 79.4 | 90 | -8.4 | 79.3 | 0 | 0 | 0 | 0 | 123.8 | | |
| 98 | E | 33.2 | Very low | 35.7 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | -146.4 | 125.4 | 143.5 | -168.2 | 168.5 | -172.1 | 0 | 0 | 115.7 | | |
| 99 | R | 37.7 | Very low | 35.3 | Very low | 208 Ų | 208 | 138.9 Ų | 138.9 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | trans | 13.3 | 150.5 | 141.1 | -98.4 | 179.7 | 169.5 | -156.1 | 2.6 | 121.1 | | |
| 100 | Q | 28.8 | Very low | 35.8 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | cis | -150.6 | 166.8 | 16.9 | -57.7 | -175 | -97.8 | 0 | 0 | 113.9 | | |
| 101 | K | 35.9 | Very low | 36 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | | | trans | 106.6 | 103.3 | 134.7 | -156.7 | 166.7 | -176.6 | -179 | 0 | 119.3 | | |
| 102 | T | 31.5 | Very low | 36 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | | | trans | 71.8 | 111.6 | 155.4 | -46.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 103 | G | 34 | Very low | 36.4 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | trans | -175 | 138.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 104 | Q | 33.4 | Very low | 36.5 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | | | trans | -83 | 151 | -168 | -64.2 | -167.2 | 59.8 | 0 | 0 | 115.4 | | |
| 105 | V | 42.8 | Very low | 36.9 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 21.4 | 131.5 | 140.4 | -176.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 106 | P | 46.7 | Very low | 37.5 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -123.2 | 105.1 | 152.2 | 34.3 | -20.7 | 0 | 0 | 0 | 114.7 | | |
| 107 | K | 35.1 | Very low | 38 | Very low | 193 Ų | 193 | 151 Ų | 151 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | 63.6 | 141.8 | 139.1 | -56.2 | 173 | -174.6 | 178.5 | 0 | 117.6 | | |
| 108 | K | 34.8 | Very low | 38.1 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | | -166.5 | 152.6 | 55.2 | -177.3 | 175.6 | 179.5 | 179.1 | 0 | 112.9 | | |
| 109 | D | 36.4 | Very low | 38.4 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | | | trans | -92.6 | 148.7 | -165 | -56.3 | -100.7 | 0 | 0 | 0 | 117.9 | | |
| 110 | N | 40.1 | Very low | 39 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 57.2 | 163.6 | 141.6 | -63.4 | -37.6 | 0 | 0 | 0 | 119.4 | | |
| 111 | S | 41.1 | Very low | 39.7 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | cis | -145.2 | 177.2 | 20.6 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 112 | R | 49.3 | Very low | 39.6 | Very low | 241 Ų | 241 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -95.6 | 158.5 | -175.9 | -52.6 | 157.9 | -155.6 | 170.8 | 6.7 | 111.7 | | |
| 113 | G | 39.4 | Very low | 39.9 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -160.2 | 14.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 114 | V | 36.7 | Very low | 40.1 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | 25 | 126.4 | 157.4 | -144.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 115 | K | 41.1 | Very low | 40.6 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 68% | 0.683 | 79% | 0.788 | S | S | * | * | | | | 151.6 | 136.9 | 120.2 | -84.3 | 174.6 | -174.7 | 175.3 | 0 | 116.4 | | |
| 116 | R | 43.1 | Very low | 40.3 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | 67.7 | 156.2 | 157.1 | -61.5 | 154.5 | -176.1 | 160.2 | -6.3 | 115.8 | | |
| 117 | S | 41.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | cis | -144 | 176.7 | -3 | 37.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 118 | A | 36.9 | Very low | 40.7 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | -109.9 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 119 | S | 38.9 | Very low | 40.9 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 83.1 | 159.3 | 160.8 | -97.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 120 | P | 51.6 | Low | 41.1 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | | -144.6 | 122.2 | -119.3 | 37.3 | -14.1 | 0 | 0 | 0 | 117.4 | | |
| 121 | D | 42.1 | Very low | 40.9 | Very low | 160 Ų | 160 | 131 Ų | 131 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | | | trans | -106.4 | 106.8 | 177.2 | -78.6 | -66.7 | 0 | 0 | 0 | 114.6 | N123 | D121-N123 PolarHBondContact O-N 2.88Š|
| 122 | Y | 33.9 | Very low | 41 | Very low | 224 Ų | 224 | 135 Ų | 135 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | | | trans | -77 | 104.1 | 167.5 | -84.8 | -96.6 | 0 | 0 | 0 | 110.7 | | |
| 123 | N | 39.2 | Very low | 41 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | | | trans | -139.9 | 70.9 | 169.4 | -100.2 | -60.7 | 0 | 0 | 0 | 113.7 | D121 | D121-N123 PolarHBondContact O-N 2.88Š|
| 124 | R | 38.1 | Very low | 41.4 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | | | trans | -146.4 | 95.9 | 151 | -122.5 | 174.3 | -167.7 | -121.5 | -3.5 | 111.8 | N126 | R124-N126 PolarHBondContact O-N 3.2Š|
| 125 | T | 42.4 | Very low | 41.4 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -61.5 | 120.7 | 172.4 | 37.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 126 | N | 36.4 | Very low | 41.2 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | | | trans | -165.4 | 76.5 | 155.8 | -94.9 | -33.6 | 0 | 0 | 0 | 107.9 | R124 | R124-N126 PolarHBondContact O-N 3.2Š|
| 127 | S | 43.4 | Very low | 40.8 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 57% | 0.566 | 74% | 0.739 | S | S | * | * | | | trans | -70.1 | 145.6 | 176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | W304 | S127-W304 VanDerWaalsContact O-CE3 3.26Š|
| 128 | P | 48 | Very low | 40.5 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 40% | 0.403 | 73% | 0.734 | S | S | . | * | | | | -134.3 | 158.6 | 125.4 | 41.7 | -34 | 0 | 0 | 0 | 113.8 | F302 W304 | P128-F302 VanDerWaalsContact C-CD1 3.46Å; P128-F302 HydrophobicContact CB-CD1 3.84Å; P128-F302 HydrophobicContact CB-CE1 4.35Å; P128-F302 HydrophobicContact CG-CD1 4.3Å; P128-W304 HydrophobicContact CB-CB 3.45Å; P128-W304 VanDerWaalsContact CB-CB 3.45Å; P128-W304 HydrophobicContact CB-CD2 3.99Å; P128-W304 HydrophobicContact CB-CG 3.35Å; P128-W304 VanDerWaalsContact CB-N 3.34Å |
| 129 | S | 39.2 | Very low | 40.1 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 55% | 0.545 | 73% | 0.731 | S | S | . | * | | | trans | -114.7 | -79.3 | -156.3 | -177.4 | 0 | 0 | 0 | 0 | 120.8 | F302 W304 | S129-F302 WeakPolarHBondContact O-CG 2.89Å; S129-W304 VanDerWaalsContact N-CD1 3.34Å; S129-W304 VanDerWaalsContact N-NE1 3.2Å |
| 130 | S | 39.2 | Very low | 39.6 | Very low | 36 Ų | 36 | 140.3 Ų | 140.3 | 25% | 0.252 | 72% | 0.721 | S | S | . | * | | | trans | -134.6 | 142 | -145.2 | 64.6 | 0 | 0 | 0 | 0 | 115.3 | F302 R307 | S130-F302 VanDerWaalsContact N-CE1 3.28Å; S130-F302 VanDerWaalsContact N-CZ 3.29Å; S130-F302 WeakPolarHBondContact O-CE2 3.32Å; S130-F302 WeakPolarHBondContact O-CZ 3.28Å; S130-R307 PolarHBondContact OG-NH1 2.82Å; S130-R307 PolarHBondContact OG-NH2 2.98Å |
| 131 | A | 37.8 | Very low | 38.6 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | cis | -170.1 | 179.3 | 42.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 132 | K | 42.3 | Very low | 38.2 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | | | trans | -80.6 | 160.3 | 154.9 | -70.4 | -179.8 | 177.8 | 178.7 | 0 | 110.3 | | |
| 133 | K | 49.6 | Very low | 38 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | | | trans | -74.1 | 169.7 | 163.3 | -61.1 | -178.3 | -178.4 | 178.4 | 0 | 110.4 | | |
| 134 | P | 46.4 | Very low | 37.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | | | | -122.3 | 179 | 101.1 | 35.9 | -33.1 | 0 | 0 | 0 | 113.7 | | |
| 135 | R | 37 | Very low | 37.6 | Very low | 240 Ų | 240 | 132.6 Ų | 132.6 | 91% | 0.906 | 70% | 0.703 | S | S | * | * | | | trans | -122.1 | 158.9 | 178.7 | -157.3 | -176.1 | -171.8 | -144.4 | 3 | 109.3 | | |
| 136 | A | 37.9 | Very low | 37 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | | | trans | -66.7 | 159.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 137 | F | 34.3 | Very low | 36.8 | Very low | 183 Ų | 183 | 131.2 Ų | 131.2 | 80% | 0.803 | 70% | 0.695 | S | S | * | * | | | trans | -141.7 | 156.4 | 152.8 | -72.5 | -88 | 0 | 0 | 0 | 106.3 | | |
| 138 | Q | 35.8 | Very low | 36.6 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | cis | -174.4 | 124 | -32.1 | -117.8 | -174.9 | 33.9 | 0 | 0 | 107.4 | | |
| 139 | H | 27.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | | | trans | -175.3 | 135.3 | 158.4 | -127.5 | -105.6 | 0 | 0 | 0 | 106.2 | E141 | H139-E141 IonicContact CE1-OE1 3.53Å; H139-E141 PolarHBondContact CE1-OE1 3.31Å; H139-E141 IonicContact ND1-OE1 2.94Å; H139-E141 PolarHBondContact ND1-OE1 3.15Å; H139-E141 VanDerWaalsContact ND1-OE1 3.12Å |
| 140 | I | 29.9 | Very low | 36.1 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 60% | 0.6 | 74% | 0.736 | S | S | * | * | | | cis | 65.6 | 130.8 | 45.4 | -49.2 | 168 | 0 | 0 | 0 | 109.4 | | |
| 141 | E | 30.7 | Very low | 35.7 | Very low | 147 Ų | 147 | 146 Ų | 146 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | cis | -100 | -127.5 | 16.6 | -58.8 | 63.4 | -131.6 | 0 | 0 | 115.8 | H139 | H139-E141 IonicContact CE1-OE1 3.53Å; H139-E141 PolarHBondContact CE1-OE1 3.31Å; H139-E141 IonicContact ND1-OE1 2.94Å; H139-E141 PolarHBondContact ND1-OE1 3.15Å; H139-E141 VanDerWaalsContact ND1-OE1 3.12Å |
| 142 | S | 32 | Very low | 35.7 | Very low | 90 Ų | 90 | 151.4 Ų | 151.4 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -154.4 | 179.9 | -150.2 | -62 | 0 | 0 | 0 | 0 | 115.4 | | |
| 143 | F | 30.4 | Very low | 35.2 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | | | trans | 72.3 | 151.8 | 172.4 | -48.1 | -76.7 | 0 | 0 | 0 | 116.2 | | |
| 144 | S | 36.7 | Very low | 34.5 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | cis | -136.2 | 141.1 | -1.3 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 145 | E | 32 | Very low | 33.9 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | | 48.5 | 139.9 | 94.1 | -66.2 | -161.5 | 114.2 | 0 | 0 | 116.5 | | |
| 146 | T | 31.3 | Very low | 33.8 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | | | cis | -155.5 | 166.7 | 11.1 | 0.1 | 0 | 0 | 0 | 0 | 114 | | |
| 147 | N | 31.9 | Very low | 33.3 | Very low | 151 Ų | 151 | 153.3 Ų | 153.3 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | | | trans | 62.5 | 136.8 | 147.5 | -66.3 | -31.1 | 0 | 0 | 0 | 124.2 | | |
| 148 | K | 38.6 | Very low | 33.4 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | | | trans | -114.9 | -172.3 | 154.4 | -43.5 | 174.1 | -177.3 | 172.1 | 0 | 106.4 | | |
| 149 | P | 44.4 | Very low | 33.1 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | cis | -136.3 | -171.1 | -10 | 34 | -11.6 | 0 | 0 | 0 | 114.8 | | |
| 150 | H | 32.1 | Very low | 33.5 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | 102.2 | 134 | 135.5 | -136 | -92.8 | 0 | 0 | 0 | 122.7 | | |
| 151 | S | 31.4 | Very low | 33.5 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | | | trans | 49 | 112 | 157.8 | 49.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 152 | K | 36.4 | Very low | 33.8 | Very low | 200 Ų | 200 | 152 Ų | 152 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | | | | 55.9 | 103.2 | 124.3 | -59.8 | 179 | -179.4 | 177.8 | 0 | 120 | | |
| 153 | S | 33.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | | 135.2 | 134.2 | 106 | 73.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 154 | K | 34.4 | Very low | 33.7 | Very low | 203 Ų | 203 | 151.2 Ų | 151.2 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | 70.8 | 120.7 | 147.3 | -141.6 | 167.2 | -171.9 | 173.4 | 0 | 121.3 | | |
| 155 | K | 33.3 | Very low | 33.3 | Very low | 185 Ų | 185 | 155 Ų | 155 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 96.4 | 118.5 | 145.8 | -130.8 | -169.1 | -179.1 | -179.4 | 0 | 119.6 | | |
| 156 | R | 34.2 | Very low | 33.2 | Very low | 225 Ų | 225 | 152.5 Ų | 152.5 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | | | trans | 89.6 | 112.2 | 155.6 | -55.1 | -162.4 | -66.8 | 175.8 | 0 | 120.9 | | |
| 157 | H | 29.4 | Very low | 32.9 | Very low | 163 Ų | 163 | 152 Ų | 152 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | | 75.2 | 86.7 | 121.1 | -159.7 | -67.3 | 0 | 0 | 0 | 121.9 | | |
| 158 | L | 34.9 | Very low | 32.9 | Very low | 148 Ų | 148 | 154 Ų | 154 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | | -165.6 | 120 | 128.5 | -135.7 | 55.9 | 0 | 0 | 0 | 105 | | |
| 159 | D | 29.6 | Very low | 32.6 | Very low | 120 Ų | 120 | 152 Ų | 152 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | cis | 89.1 | 140.7 | 49 | -166.3 | 31.6 | 0 | 0 | 0 | 113.2 | | |
| 160 | Q | 37.2 | Very low | 32.6 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 59.2 | 108.2 | -166.7 | -60.7 | -176.3 | 3.2 | 0 | 0 | 115.5 | | |
| 161 | E | 29.9 | Very low | 32.4 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | | | | 76.2 | 140.7 | 55.6 | -66.6 | -114.8 | 109.8 | 0 | 0 | 113.5 | | |
| 162 | Q | 36.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | cis | -112.6 | 139.1 | -11.4 | -84.8 | 110.5 | 31.2 | 0 | 0 | 109.1 | | |
| 163 | Q | 29.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 145 Ų | 145 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | | 59.5 | 108.5 | 72.2 | -75 | -138.1 | 12.8 | 0 | 0 | 115.8 | | |
| 164 | L | 30.9 | Very low | 32.2 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | | | trans | 67.5 | 171.2 | 130.1 | -56.7 | -170.7 | 0 | 0 | 0 | 119.2 | | |
| 165 | K | 28.2 | Very low | 32.1 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | | | cis | -177.5 | 171.1 | -41.5 | -165.4 | 158.2 | 176.7 | -179.9 | 0 | 105.3 | | |
| 166 | S | 30.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | | | trans | 65.7 | 138.4 | -172.2 | 76.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 167 | A | 25.2 | Very low | 32.1 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | cis | 78.6 | 136.5 | 24.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 168 | Q | 30.3 | Very low | 32.7 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | trans | 73.1 | 96.4 | 165.2 | -153.2 | 149.1 | -34.6 | 0 | 0 | 118 | | |
| 169 | L | 33.6 | Very low | 33 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | | | trans | -54.1 | 160.4 | 144.1 | -62.1 | 169.6 | 0 | 0 | 0 | 109.8 | | |
| 170 | P | 43.9 | Very low | 33.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | cis | -145.9 | -125.8 | 29.7 | 43.1 | -20.3 | 0 | 0 | 0 | 112.7 | | |
| 171 | S | 27.7 | Very low | 33.1 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | 82.1 | 104.7 | 167.7 | -121.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 172 | T | 35.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | | 77.7 | 140.7 | 96.1 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 173 | S | 29.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | | | cis | -177.1 | 145.5 | -17.4 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 174 | K | 32.6 | Very low | 33.5 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | | | trans | 61.4 | 167 | 161.9 | -63.9 | 170 | -178.3 | 175.5 | 0 | 114.8 | | |
| 175 | A | 31.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | cis | -158.6 | 146.3 | -40.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 176 | H | 34.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 122.9 Ų | 122.9 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | | | trans | -146.1 | 141.3 | 152.9 | -124.2 | 60.2 | 0 | 0 | 0 | 111.8 | | |
| 177 | T | 33.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | trans | -100.1 | 146.2 | -172.8 | 46.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 178 | R | 41.6 | Very low | 35.1 | Very low | 231 Ų | 231 | 129.6 Ų | 129.6 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | | | trans | -166.4 | 129.4 | 142.1 | -100.6 | 140.1 | -156.9 | -102.8 | 0.4 | 111.8 | | |
| 179 | K | 39.9 | Very low | 35.4 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | | | trans | 61.7 | 92.3 | 156.5 | -63.1 | -167.9 | 174.9 | -173.2 | 0 | 120.1 | | |
| 180 | S | 34 | Very low | 35.5 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 71% | 0.712 | S | S | * | * | | | | 65 | 143 | 113.7 | 65.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 181 | V | 35.1 | Very low | 35.5 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 47% | 0.473 | 72% | 0.715 | S | S | . | * | | | trans | 68.2 | 107.9 | 165.7 | -143.2 | 0 | 0 | 0 | 0 | 114.3 | K326 E328 | V181-K326 PolarHBondContact O-NZ 2.99Å; V181-E328 HydrophobicContact CG1-CB 3.76Å; V181-E328 HydrophobicContact CG1-CG 4.49Å; V181-E328 WeakPolarHBondContact CG1-OE2 3.36Å |
| 182 | A | 35.8 | Very low | 35.9 | Very low | 66 Ų | 66 | 137 Ų | 137 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | | | | 55.2 | 162 | 60.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E328 | A182-E328 WeakPolarHBondContact CB-OE2 3.35Š|
| 183 | A | 35.6 | Very low | 36 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 60% | 0.603 | 73% | 0.73 | S | S | * | * | | | cis | -148.1 | 171.4 | -37.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | E328 | A183-E328 HydrophobicContact CB-CG 4.34Å; A183-E328 PolarHBondContact N-OE2 2.8Å |
| 184 | G | 34.4 | Very low | 36 | Very low | 70 Ų | 70 | 142.4 Ų | 142.4 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | cis | -171.2 | 168.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 185 | S | 32.2 | Very low | 35.6 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | -30.8 | 130.7 | 162 | -168.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 186 | S | 41.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | | 44 | 130 | 80.7 | 176.2 | 0 | 0 | 0 | 0 | 115 | | |
| 187 | R | 36.2 | Very low | 35.2 | Very low | 216 Ų | 216 | 139 Ų | 139 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | | | | 151.8 | 113.5 | 126.6 | -175.7 | 161.9 | -167 | 170.9 | 4.2 | 116.1 | | |
| 188 | N | 38.2 | Very low | 35 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | | | trans | 56 | 143.8 | 141.8 | -89 | -112 | 0 | 0 | 0 | 124.1 | | |
| 189 | Q | 37.2 | Very low | 34.3 | Very low | 149 Ų | 149 | 135 Ų | 135 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | | | trans | 88.7 | 118.9 | 131.5 | -86.3 | 178.7 | 63.7 | 0 | 0 | 125.1 | | |
| 190 | K | 35.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 135 Ų | 135 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | | 92.9 | 111.8 | 110.5 | -174 | 176.9 | 178 | 179.7 | 0 | 121.6 | | |
| 191 | R | 43.9 | Very low | 34.3 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | 78.9 | 165.5 | 165.3 | -57.6 | 166.5 | -56.5 | 166.9 | 7.6 | 115 | | |
| 192 | K | 35.1 | Very low | 34.4 | Very low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | cis | -133.7 | -143.9 | 4.3 | -148.6 | -167.7 | -177 | -171.4 | 0 | 113 | | |
| 193 | R | 38.1 | Very low | 34.5 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | trans | -121.9 | 162.6 | -154.1 | -167.5 | -166.5 | -148.8 | 170.8 | 6.5 | 111.5 | | |
| 194 | T | 30.2 | Very low | 34.3 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | | | trans | 94.3 | 143.1 | 151.2 | -6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 195 | E | 25.1 | Very low | 34.4 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | 71.9 | 148.2 | 164.4 | -63.8 | 166.4 | -116.9 | 0 | 0 | 117.9 | | |
| 196 | S | 28.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | cis | -135.9 | -129.7 | -1.5 | 64.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 197 | S | 28.8 | Very low | 34.4 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -137.1 | 151.7 | -146.8 | 60.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 198 | C | 28.6 | Very low | 34.1 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 40.2 | 134.6 | 149 | 65.6 | 0 | 0 | 0 | 0 | 124.3 | | |
| 199 | V | 27.7 | Very low | 33.7 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | | | | -172.4 | 174 | 120.1 | -90.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 200 | K | 41.1 | Very low | 33.4 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -151.2 | 161.5 | -170.7 | 176 | 66.9 | 177.8 | -175.8 | 0 | 112.2 | | |
| 201 | S | 32.8 | Very low | 33.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 86.5 | 151.5 | 170.4 | -52.4 | 0 | 0 | 0 | 0 | 117 | | |
| 202 | G | 36.8 | Very low | 32.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | cis | 130.5 | 126.2 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 203 | S | 36.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -168.9 | 166 | 168.6 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 204 | G | 32.3 | Very low | 32.7 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | cis | 176.5 | -177.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 205 | S | 35.7 | Very low | 32.8 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 73 | 165.2 | 168.5 | -61.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 206 | E | 34.2 | Very low | 33.4 | Very low | 171 Ų | 171 | 124.4 Ų | 124.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | 172.2 | 166.8 | -42.4 | -97.4 | 155.9 | 124.7 | 0 | 0 | 107.3 | | |
| 207 | S | 38.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | cis | -161.9 | -158.4 | -11.9 | 48.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 208 | T | 31.4 | Very low | 35.1 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | cis | -165.2 | 149.3 | 3.8 | -15.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 209 | G | 29.8 | Very low | 35.6 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | trans | 79.1 | 157.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 210 | A | 30.1 | Very low | 36 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | cis | -159.5 | -177.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 211 | E | 32.1 | Very low | 35.8 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -53.1 | -175.7 | -168.8 | -55 | -170.3 | 88.4 | 0 | 0 | 119.4 | R213 | E211-R213 IonicContact OE1-CZ 3.23Å; E211-R213 VanDerWaalsContact OE1-CZ 3.28Å; E211-R213 IonicContact OE1-NH1 3.07Å; E211-R213 PolarHBondContact OE1-NH1 3.39Å; E211-R213 IonicContact OE1-NH2 3.12Å; E211-R213 PolarHBondContact OE1-NH2 3.34Å |
| 212 | E | 30 | Very low | 36 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | | | cis | -151.7 | -137.4 | 15.8 | -138.4 | -128.3 | 115.6 | 0 | 0 | 115.6 | | |
| 213 | R | 40.3 | Very low | 36.9 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 67% | 0.672 | 78% | 0.781 | S | S | * | * | | | trans | -131.2 | 177.9 | -156.3 | -47.8 | 165.9 | -170.7 | 92.3 | 11.4 | 111.2 | E211 | E211-R213 IonicContact OE1-CZ 3.23Å; E211-R213 VanDerWaalsContact OE1-CZ 3.28Å; E211-R213 IonicContact OE1-NH1 3.07Å; E211-R213 PolarHBondContact OE1-NH1 3.39Å; E211-R213 IonicContact OE1-NH2 3.12Å; E211-R213 PolarHBondContact OE1-NH2 3.34Å |
| 214 | S | 34.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | cis | -161.6 | 174.1 | 4.9 | 78.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 215 | A | 32.5 | Very low | 37.1 | Very low | 81 Ų | 81 | 134 Ų | 134 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | 65 | 101 | 143.8 | 0 | 0 | 0 | 0 | 0 | 126.8 | | |
| 216 | K | 38.3 | Very low | 37.1 | Very low | 204 Ų | 204 | 135.1 Ų | 135.1 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | 68.7 | -169.5 | 135.7 | -43.2 | -174.1 | 178.1 | 175.1 | 0 | 119.6 | | |
| 217 | P | 59.6 | Low | 37.2 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | | -138.6 | 172.4 | -112.1 | 41.8 | -20.5 | 0 | 0 | 0 | 118.2 | | |
| 218 | I | 32.8 | Very low | 37 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -159 | 171.5 | 156.6 | -117.2 | 155.9 | 0 | 0 | 0 | 115.4 | | |
| 219 | K | 39.5 | Very low | 37.3 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -86.5 | 158.9 | -164.6 | -53.7 | 165.4 | -178 | 170.5 | 0 | 115 | | |
| 220 | L | 36.3 | Very low | 37.8 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | | 170.2 | 130.3 | 116.2 | -86.2 | 168.2 | 0 | 0 | 0 | 109.4 | | |
| 221 | A | 36.6 | Very low | 37.9 | Very low | 85 Ų | 85 | 135.3 Ų | 135.3 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | | 57.8 | 133.5 | 97 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 222 | S | 37.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | cis | -147.7 | 179.1 | 32 | -65.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 223 | K | 55.8 | Low | 38 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | | | trans | -128.1 | 149.1 | 173.5 | -67.9 | 179 | 176.7 | 178.4 | 0 | 111.9 | | |
| 224 | S | 33.4 | Very low | 38 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -161.5 | 140.5 | 154.2 | 36.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 225 | A | 39 | Very low | 38 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | cis | 89.7 | 135.3 | 29.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 226 | T | 36.6 | Very low | 38.5 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | cis | -173.8 | -174.1 | -18.9 | 10.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 227 | S | 35.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | 76.8 | 159.9 | 168.7 | 81.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 228 | A | 35.7 | Very low | 37.2 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | cis | -161.7 | 162.7 | -23.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 229 | K | 38.3 | Very low | 37.5 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | cis | 109.2 | 134.9 | 8.9 | -168 | 176.9 | 177.2 | -174.5 | 0 | 115.2 | | |
| 230 | A | 38.9 | Very low | 37.3 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | 78.4 | 146.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 231 | G | 31.8 | Very low | 37.2 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | cis | 159.3 | 151.9 | -13.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 232 | C | 32 | Very low | 37.1 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | | | trans | 61.9 | 156.9 | 162.8 | -65.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 233 | S | 32.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | -158.4 | 175.2 | -15.5 | -101.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 234 | T | 40.4 | Very low | 35.5 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -62.7 | 146.2 | 179 | 48.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 235 | I | 34.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 116 Ų | 116 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | | | trans | -136.3 | 143.8 | 149.4 | -58 | -179.1 | 0 | 0 | 0 | 107.9 | | |
| 236 | T | 43.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | trans | -124.2 | 125.2 | 175.5 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 237 | D | 34.8 | Very low | 34.9 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -164.9 | 159.7 | 161.9 | -90.4 | -45.8 | 0 | 0 | 0 | 108.3 | | |
| 238 | S | 36.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | 159.2 | 125.4 | -23.5 | -87 | 0 | 0 | 0 | 0 | 105.6 | | |
| 239 | S | 38.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | 68 | 121.8 | 162.5 | -58.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 240 | S | 35.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | | 90.1 | 151.9 | 87 | -65.1 | 0 | 0 | 0 | 0 | 114 | | |
| 241 | A | 34.5 | Very low | 34.5 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | cis | -169.7 | 176 | -17.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 242 | A | 33.2 | Very low | 34.5 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | 67 | 161.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 243 | S | 29.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | cis | -169.9 | 171.7 | -25.9 | -93 | 0 | 0 | 0 | 0 | 109.9 | | |
| 244 | T | 29.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 115 Ų | 115 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | 63.2 | 159.8 | 161.4 | 52.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 245 | S | 30.1 | Very low | 34 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | cis | -170.2 | 176.1 | -35.2 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 246 | S | 34.7 | Very low | 33.9 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | 71.6 | 166.1 | 158.3 | -47.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 247 | S | 33.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 112.9 Ų | 112.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | cis | -175 | 140.9 | -42.2 | -88.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 248 | S | 35 | Very low | 33.4 | Very low | 130 Ų | 130 | 112.4 Ų | 112.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -170.4 | 151.8 | 154.5 | -86.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 249 | S | 35.7 | Very low | 33.8 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -141.1 | 157.7 | -172.2 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 250 | A | 33.1 | Very low | 33.8 | Very low | 99 Ų | 99 | 113.8 Ų | 113.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -153.2 | 154.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 251 | I | 34.8 | Very low | 33.8 | Very low | 161 Ų | 161 | 112 Ų | 112 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -149.2 | 159 | -163.2 | 44.6 | 171.1 | 0 | 0 | 0 | 113.3 | | |
| 252 | A | 31.7 | Very low | 33.8 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | 70.4 | 160.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 253 | S | 30.7 | Very low | 34.3 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | cis | -143.8 | 145.3 | 9.9 | -75.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 254 | A | 31.3 | Very low | 35.2 | Very low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | | | trans | 22.4 | 127.7 | 142 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 255 | S | 32.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | 38.9 | 130.2 | 131.4 | -57.6 | 0 | 0 | 0 | 0 | 124 | | |
| 256 | S | 32.4 | Very low | 37.4 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | trans | -144.9 | 124.1 | 138.2 | 58.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 257 | T | 29.9 | Very low | 37.7 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | 39 | 114.4 | 149.8 | 57.4 | 0 | 0 | 0 | 0 | 121.9 | | |
| 258 | V | 39 | Very low | 38.6 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -76.5 | 162.1 | 138.2 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 259 | P | 45.3 | Very low | 39.4 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | | -139.9 | 167.8 | 92.2 | 38.8 | -26.2 | 0 | 0 | 0 | 114.2 | | |
| 260 | A | 37.8 | Very low | 40.2 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -108.5 | 157.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 261 | G | 35 | Very low | 41.1 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 100.8 | 108.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 262 | A | 35.6 | Very low | 41.8 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | trans | -153 | 111 | 153.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 263 | R | 43.4 | Very low | 42.5 | Very low | 217 Ų | 217 | 135.4 Ų | 135.4 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | | | trans | 60.9 | 83.4 | 139.6 | -156 | 176.2 | -138.5 | 158 | 6.2 | 118.7 | K265 | R263-K265 HydrophobicContact CG-CB 4.44Å; R263-K265 PolarHBondContact O-N 3.45Å |
| 264 | V | 49.3 | Very low | 43.5 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | | | trans | -60.8 | 126.6 | 146.5 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 265 | K | 54.9 | Low | 44.2 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | trans | -140.3 | 146.6 | 167.5 | -146.6 | -173.8 | -178.2 | -168 | 0 | 109.9 | R263 | R263-K265 HydrophobicContact CG-CB 4.44Å; R263-K265 PolarHBondContact O-N 3.45Å |
| 266 | Q | 49.6 | Very low | 44.9 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | trans | -69.6 | 136.2 | -168.3 | -64 | 159.3 | -58.6 | 0 | 0 | 113.8 | | |
| 267 | G | 42.3 | Very low | 46 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | trans | -145.8 | 102.7 | 146.6 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 268 | K | 51.3 | Low | 46.6 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | | | | 60.2 | 102.2 | 62.6 | -168.5 | 59.6 | 175 | 157.6 | 0 | 110.8 | | |
| 269 | D | 52.9 | Low | 46.8 | Very low | 118 Ų | 118 | 148 Ų | 148 | 63% | 0.631 | 81% | 0.81 | S | S | * | * | | | trans | 28.5 | 126.7 | 163.5 | -45.1 | -19 | 0 | 0 | 0 | 118.9 | | |
| 270 | Q | 52.6 | Low | 46.6 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | | -160.9 | 108.4 | 109.5 | -80 | -130.4 | -2.7 | 0 | 0 | 111.1 | | |
| 271 | N | 52.1 | Low | 46.7 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -71.7 | 135.2 | 152.7 | 172 | 4.9 | 0 | 0 | 0 | 108 | | |
| 272 | K | 48.2 | Very low | 47.4 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | 132.5 | 139.3 | 145.6 | -164.5 | 172.1 | -169.9 | 173.9 | 0 | 114.8 | | |
| 273 | A | 47.6 | Very low | 47.4 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | 83.6 | 142.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 274 | R | 50.1 | Low | 47.4 | Very low | 244 Ų | 244 | 144.6 Ų | 144.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | 65.6 | 132.5 | 175.5 | -66.9 | 178.1 | 163.7 | -148.6 | -1.8 | 115.2 | | |
| 275 | R | 47.7 | Very low | 47.4 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | | | cis | -149.7 | 87.5 | 10.1 | -165.3 | -176.7 | -167.2 | -147.8 | 11.4 | 112.3 | | |
| 276 | S | 46.3 | Very low | 46.8 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | | | trans | -66.7 | 133.3 | 168.1 | 42.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 277 | R | 56.1 | Low | 46.4 | Very low | 208 Ų | 208 | 148.7 Ų | 148.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -138.7 | 82.2 | 165 | -88.3 | -166.4 | 163.1 | -177.8 | -6.6 | 109.7 | | |
| 278 | S | 41.5 | Very low | 46.5 | Very low | 111 Ų | 111 | 150.6 Ų | 150.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -71.4 | 130.5 | 177.5 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 279 | A | 43.3 | Very low | 46.6 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -99.3 | 83.2 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 280 | S | 41.8 | Very low | 46.2 | Very low | 109 Ų | 109 | 158 Ų | 158 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | trans | -71 | 146.1 | -177.1 | -170.8 | 0 | 0 | 0 | 0 | 112 | | |
| 281 | S | 39.8 | Very low | 46 | Very low | 92 Ų | 92 | 157.5 Ų | 157.5 | 64% | 0.643 | 82% | 0.816 | S | S | * | * | | | trans | -65.1 | 140.4 | 170.9 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | S283 | S281-S283 PolarHBondContact O-N 3.1Š|
| 282 | P | 48 | Very low | 45.6 | Very low | 122 Ų | 122 | 157.5 Ų | 157.5 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | trans | -80.9 | 112.9 | 174.3 | 30.5 | -31.7 | 0 | 0 | 0 | 110.5 | P284 | P282-P284 WeakPolarHBondContact O-CD 3.34Š|
| 283 | S | 37.5 | Very low | 45.6 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -109.9 | 98.8 | 169.9 | -71.9 | 0 | 0 | 0 | 0 | 110.7 | S281 R285 | S281-S283 PolarHBondContact O-N 3.1Å; S283-R285 PolarHBondContact O-N 3.12Å; S283-R285 VanDerWaalsContact O-N 3.1Å |
| 284 | P | 42.6 | Very low | 45.3 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -76.7 | 99 | 178.2 | -12.1 | 29.1 | 0 | 0 | 0 | 110.7 | P282 | P282-P284 WeakPolarHBondContact O-CD 3.34Š|
| 285 | R | 49.5 | Very low | 45 | Very low | 237 Ų | 237 | 153.3 Ų | 153.3 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | | | trans | -121.5 | 140.9 | 162.6 | -90.9 | -170.4 | 166.3 | -138.2 | -2.9 | 109.5 | S283 | S283-R285 PolarHBondContact O-N 3.12Å; S283-R285 VanDerWaalsContact O-N 3.1Å |
| 286 | R | 42.7 | Very low | 44.6 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | 72.8 | 85.3 | -174.9 | -57.3 | 173.6 | 168.8 | -111.1 | -0.6 | 115 | | |
| 287 | S | 40.2 | Very low | 44.1 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -73.5 | 119 | 140.1 | 53.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 288 | S | 45 | Very low | 43.2 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -64.8 | 152.5 | 167.7 | 41.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 289 | R | 52.7 | Low | 43.2 | Very low | 258 Ų | 258 | 144.3 Ų | 144.3 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | | | trans | -94.1 | 101 | 169 | -176.7 | -172.8 | -174.8 | -166.4 | 2.5 | 108.6 | | |
| 290 | E | 44.9 | Very low | 43.3 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -128.9 | 164.9 | 159.9 | -166.7 | 153.3 | -150.2 | 0 | 0 | 110.1 | | |
| 291 | K | 47.5 | Very low | 43.8 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | | | trans | -136.3 | 115.5 | -158.6 | 160.7 | -142 | 173.9 | -166.9 | 0 | 107.4 | | |
| 292 | E | 45.1 | Very low | 44.2 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | | | trans | -150.9 | 169.2 | 160.9 | -109.6 | -54.5 | 99.5 | 0 | 0 | 111.3 | | |
| 293 | Q | 47.3 | Very low | 44.9 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | trans | -102.5 | 126.2 | -160.6 | -60.1 | 172.8 | 54.1 | 0 | 0 | 113.7 | | |
| 294 | S | 41.2 | Very low | 45.3 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -127.4 | 116.9 | 163.1 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 295 | K | 44 | Very low | 46 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | -88.5 | 155 | 176.1 | -67.7 | 165.8 | -176.6 | 162.1 | 0 | 109.3 | | |
| 296 | T | 38.8 | Very low | 46.4 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | | | trans | 70.1 | 145.8 | 179 | 79.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 297 | G | 37.6 | Very low | 47.1 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | | | cis | 179.5 | 132.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 298 | G | 35.9 | Very low | 47.8 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | 73.7 | 94.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 299 | S | 43 | Very low | 48.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 74% | 0.738 | S | S | * | * | | | | -169.2 | 111.2 | 113.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 300 | S | 44.8 | Very low | 48.5 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | | | trans | -142.4 | 131.8 | 155.8 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 301 | K | 52.6 | Low | 49 | Very low | 205 Ų | 205 | 130.8 Ų | 130.8 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | | | trans | -100.1 | 93.7 | -179.5 | -78.8 | -168.7 | 175.2 | 73.4 | 0 | 110.8 | | |
| 302 | F | 47.4 | Very low | 49.1 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 34% | 0.338 | 73% | 0.726 | S | S | . | * | | | trans | 84 | 138.7 | 136.4 | -142.5 | -85.6 | 0 | 0 | 0 | 121 | P128 S129 S130 W304 | P128-F302 VanDerWaalsContact C-CD1 3.46Å; P128-F302 HydrophobicContact CB-CD1 3.84Å; P128-F302 HydrophobicContact CB-CE1 4.35Å; P128-F302 HydrophobicContact CG-CD1 4.3Å; S129-F302 WeakPolarHBondContact O-CG 2.89Å; S130-F302 VanDerWaalsContact N-CE1 3.28Å; S130-F302 VanDerWaalsContact N-CZ 3.29Å; S130-F302 WeakPolarHBondContact O-CE2 3.32Å; S130-F302 WeakPolarHBondContact O-CZ 3.28Å; F302-W304 AromaticContact CE1-CD1 3.92Å |
| 303 | D | 61.9 | Low | 49.9 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | | | trans | -140.7 | 124.2 | -176.3 | -172.2 | -29.8 | 0 | 0 | 0 | 110.7 | A305 | D303-A305 VanDerWaalsContact OD1-CB 3.28Å; D303-A305 WeakPolarHBondContact OD1-CB 3.03Å; D303-A305 PolarHBondContact OD1-N 3.35Å |
| 304 | W | 46.4 | Very low | 50.7 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 45% | 0.447 | 73% | 0.733 | S | S | . | * | S | Bend | trans | -84.9 | -15.7 | 179 | -103.1 | 2.3 | 0 | 0 | 0 | 114.4 | S127 P128 S129 F302 A306 R307 | S127-W304 VanDerWaalsContact O-CE3 3.26Å; P128-W304 HydrophobicContact CB-CB 3.45Å; P128-W304 VanDerWaalsContact CB-CB 3.45Å; P128-W304 HydrophobicContact CB-CD2 3.99Å; P128-W304 HydrophobicContact CB-CG 3.35Å; P128-W304 VanDerWaalsContact CB-N 3.34Å; S129-W304 VanDerWaalsContact N-CD1 3.34Å; S129-W304 VanDerWaalsContact N-NE1 3.2Å; F302-W304 AromaticContact CE1-CD1 3.92Å; W304-A306 PolarHBondContact O-N 2.8Å; W304-R307 PolarHBondContact O-N 3.42Å |
| 305 | A | 56.6 | Low | 51.3 | Low | 88 Ų | 88 | 125.1 Ų | 125.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -58.5 | -27.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D303 | D303-A305 VanDerWaalsContact OD1-CB 3.28Å; D303-A305 WeakPolarHBondContact OD1-CB 3.03Å; D303-A305 PolarHBondContact OD1-N 3.35Å |
| 306 | A | 59.5 | Low | 51.8 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -80.4 | -5.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | W304 | W304-A306 PolarHBondContact O-N 2.8Š|
| 307 | R | 57 | Low | 52.3 | Low | 146 Ų | 146 | 125.2 Ų | 125.2 | 55% | 0.551 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -89.9 | -11.9 | -175 | -61.8 | -160 | 84.1 | -152.7 | 11.1 | 115.3 | S130 W304 | S130-R307 PolarHBondContact OG-NH1 2.82Å; S130-R307 PolarHBondContact OG-NH2 2.98Å; W304-R307 PolarHBondContact O-N 3.42Å |
| 308 | F | 54.6 | Low | 53 | Low | 184 Ų | 184 | 131 Ų | 131 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | -108.7 | 80.1 | 173.3 | -85.3 | -80.4 | 0 | 0 | 0 | 111.1 | P310 | F308-P310 WeakPolarHBondContact O-CD 3.48Š|
| 309 | S | 57.3 | Low | 53.7 | Low | 78 Ų | 78 | 134.6 Ų | 134.6 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | | | trans | -67.6 | 118.2 | 165.5 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | K311 V312 | S309-K311 PolarHBondContact O-N 2.86Å; S309-V312 PolarHBondContact O-N 3.28Å |
| 310 | P | 55.2 | Low | 53.8 | Low | 132 Ų | 132 | 133.7 Ų | 133.7 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 26.3 | -173.5 | 33 | -37.9 | 0 | 0 | 0 | 113.7 | F308 | F308-P310 WeakPolarHBondContact O-CD 3.48Š|
| 311 | K | 56 | Low | 54.1 | Low | 196 Ų | 196 | 135.2 Ų | 135.2 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 15.8 | -176.6 | -67.9 | -169.8 | 174.9 | -176.9 | 0 | 113.5 | S309 S313 | S309-K311 PolarHBondContact O-N 2.86Å; K311-S313 PolarHBondContact O-N 3.13Å |
| 312 | V | 49.6 | Very low | 53.6 | Low | 110 Ų | 110 | 131.4 Ų | 131.4 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | | | trans | -81.1 | 102.1 | 164 | -179 | 0 | 0 | 0 | 0 | 107.9 | S309 L314 | S309-V312 PolarHBondContact O-N 3.28Å; V312-L314 PolarHBondContact O-N 3.03Å; V312-L314 VanDerWaalsContact O-N 3.13Å |
| 313 | S | 61.8 | Low | 53.2 | Low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -68.3 | 105.5 | 175 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | K311 | K311-S313 PolarHBondContact O-N 3.13Š|
| 314 | L | 62.9 | Low | 52.4 | Low | 148 Ų | 148 | 132.7 Ų | 132.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | -62.1 | 136.3 | 173.5 | -63.9 | 176 | 0 | 0 | 0 | 110.2 | V312 K316 | V312-L314 PolarHBondContact O-N 3.03Å; V312-L314 VanDerWaalsContact O-N 3.13Å; L314-K316 PolarHBondContact O-N 3.16Å |
| 315 | P | 53.7 | Low | 52.1 | Low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 132.7 | 172.3 | 26.6 | -33.2 | 0 | 0 | 0 | 109.5 | T317 | P315-T317 PolarHBondContact O-N 2.71Š|
| 316 | K | 54.8 | Low | 51.2 | Low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -63.6 | 103.4 | -177.1 | -65.8 | 172.7 | -178.7 | 172.4 | 0 | 110 | L314 K318 | L314-K316 PolarHBondContact O-N 3.16Å; K316-K318 PolarHBondContact O-N 3.4Å |
| 317 | T | 50.3 | Low | 50.5 | Low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -64.3 | 107 | 172.6 | 41.1 | 0 | 0 | 0 | 0 | 109.6 | P315 L319 | P315-T317 PolarHBondContact O-N 2.71Å; T317-L319 PolarHBondContact O-N 3.06Å |
| 318 | K | 50.9 | Low | 49.6 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | -73 | 75.5 | 174.6 | -76.5 | -167.1 | 175.1 | -175.3 | 0 | 110.6 | K316 S320 | K316-K318 PolarHBondContact O-N 3.4Å; K318-S320 PolarHBondContact O-N 3.26Å |
| 319 | L | 51.7 | Low | 48.9 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -77.2 | 72 | 164 | -72.3 | 174 | 0 | 0 | 0 | 109.6 | T317 L321 | T317-L319 PolarHBondContact O-N 3.06Å; L319-L321 PolarHBondContact O-N 2.76Å |
| 320 | S | 44.9 | Very low | 48.3 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -82.2 | 97 | 169 | 51.8 | 0 | 0 | 0 | 0 | 109.8 | K318 | K318-S320 PolarHBondContact O-N 3.26Š|
| 321 | L | 50.3 | Low | 48.1 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -99 | 141.2 | 160.2 | -69.4 | 175 | 0 | 0 | 0 | 108.8 | L319 | L319-L321 PolarHBondContact O-N 2.76Š|
| 322 | P | 43 | Very low | 47.8 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68 | 149.1 | -175.4 | 28.6 | -35 | 0 | 0 | 0 | 111.4 | | |
| 323 | G | 39.4 | Very low | 47.3 | Very low | 83 Ų | 83 | 131 Ų | 131 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 150.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 324 | S | 44 | Very low | 47 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -129.7 | 138.5 | 155.4 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 325 | S | 40.7 | Very low | 46.3 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -87.8 | 164.8 | -170.1 | 50 | 0 | 0 | 0 | 0 | 113.2 | | |
| 326 | K | 37.8 | Very low | 45.8 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -54.4 | 148 | 170.8 | -47.5 | 164.9 | -174.8 | 166.3 | 0 | 111.8 | V181 | V181-K326 PolarHBondContact O-NZ 2.99Š|
| 327 | S | 44.7 | Very low | 45.5 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -144.5 | 150 | 145.9 | 58.1 | 0 | 0 | 0 | 0 | 109 | | |
| 328 | E | 37.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 36% | 0.355 | 78% | 0.783 | S | S | . | * | | | trans | -120.2 | 153.7 | -167.9 | -155.4 | -147.8 | 121.9 | 0 | 0 | 111.6 | V181 A182 A183 | V181-E328 HydrophobicContact CG1-CB 3.76Å; V181-E328 HydrophobicContact CG1-CG 4.49Å; V181-E328 WeakPolarHBondContact CG1-OE2 3.36Å; A182-E328 WeakPolarHBondContact CB-OE2 3.35Å; A183-E328 HydrophobicContact CB-CG 4.34Å; A183-E328 PolarHBondContact N-OE2 2.8Å |
| 329 | T | 40.2 | Very low | 45.4 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | 43.5 | 105.3 | 154.7 | -63.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 330 | S | 44.9 | Very low | 45.2 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -151.9 | 161.9 | 131.9 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 331 | K | 50.2 | Low | 45.5 | Very low | 200 Ų | 200 | 128.2 Ų | 128.2 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 157.1 | -174.6 | -85.1 | -179.5 | 179.5 | 174.8 | 0 | 111.7 | | |
| 332 | P | 50.9 | Low | 45.6 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 141.8 | -162 | 30.9 | -36.6 | 0 | 0 | 0 | 114.2 | | |
| 333 | G | 38.8 | Very low | 45.8 | Very low | 63 Ų | 63 | 125.6 Ų | 125.6 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96 | 132.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S335 | G333-S335 PolarHBondContact O-N 3.16Š|
| 334 | P | 55.8 | Low | 46 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -89.1 | 89.1 | 179.7 | 33.9 | -33 | 0 | 0 | 0 | 112 | | |
| 335 | S | 47.7 | Very low | 46.5 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -138.6 | 152.9 | 164.8 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | G333 | G333-S335 PolarHBondContact O-N 3.16Š|
| 336 | G | 42.7 | Very low | 47.2 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | cis | -172.8 | 39.9 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q338 | G336-Q338 PolarHBondContact O-N 2.74Å; G336-Q338 VanDerWaalsContact O-N 3.15Å |
| 337 | L | 48.7 | Very low | 47.8 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -89.7 | 85.7 | -167.1 | -66.8 | 179.9 | 0 | 0 | 0 | 113.6 | | |
| 338 | Q | 52.3 | Low | 47.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | trans | 54.5 | 91.8 | 143.2 | -54 | -171.5 | 28 | 0 | 0 | 117.8 | G336 | G336-Q338 PolarHBondContact O-N 2.74Å; G336-Q338 VanDerWaalsContact O-N 3.15Å |
| 339 | A | 46.6 | Very low | 47.9 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | | | trans | -69.5 | 131.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 340 | K | 48.5 | Very low | 48.5 | Very low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.765 | 82% | 0.823 | S | S | * | * | | | trans | -149.2 | 126.8 | 164.7 | -111.9 | 176.6 | -179.7 | 174.9 | 0 | 111.5 | | |
| 341 | L | 50.8 | Low | 48.7 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | S | Bend | trans | 58 | 86.8 | 156.3 | -49.3 | -178.7 | 0 | 0 | 0 | 118.9 | | |
| 342 | A | 52.1 | Low | 48.8 | Very low | 108 Ų | 108 | 147 Ų | 147 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | trans | -172 | 74.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 343 | S | 47.3 | Very low | 48.5 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -132.7 | 95.1 | 169.5 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 344 | L | 43.5 | Very low | 48.8 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | | | trans | -124.4 | 114.7 | 170.8 | -106.4 | 87.6 | 0 | 0 | 0 | 111.5 | | |
| 345 | R | 55.9 | Low | 49.2 | Very low | 222 Ų | 222 | 151.7 Ų | 151.7 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | trans | 60.7 | 92.5 | 143.5 | -61.8 | -179.7 | 176.2 | 137.9 | 1.4 | 117.3 | | |
| 346 | K | 54.3 | Low | 49.4 | Very low | 208 Ų | 208 | 152.1 Ų | 152.1 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | | | trans | -53.9 | 144.4 | 152.3 | -50.7 | 170.5 | -176.5 | 175.8 | 0 | 110.4 | | |
| 347 | S | 50.8 | Low | 49.5 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | | | trans | -139.1 | 155.6 | 151.3 | 63.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 348 | T | 43.7 | Very low | 49.6 | Very low | 132 Ų | 132 | 154.6 Ų | 154.6 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | trans | -135.3 | 170.3 | -167.5 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 349 | K | 40.4 | Very low | 49.5 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 81% | 0.813 | 84% | 0.839 | S | S | * | * | | | trans | 101.3 | 91.5 | 150.5 | -155.6 | 172.2 | -176.4 | 178 | 0 | 118.3 | | |
| 350 | K | 51.8 | Low | 49.7 | Very low | 196 Ų | 196 | 155.3 Ų | 155.3 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | | | trans | 54.4 | 106.2 | 132.7 | -58.2 | -80.5 | -170.6 | 173.2 | 0 | 118.7 | | |
| 351 | R | 49.6 | Very low | 50.2 | Low | 254 Ų | 254 | 152.6 Ų | 152.6 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | | | | -152.5 | 166.9 | 127.4 | -122.4 | 175.7 | 177.4 | 119.8 | -3 | 110.5 | | |
| 352 | S | 52.3 | Low | 49.6 | Very low | 108 Ų | 108 | 151.2 Ų | 151.2 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | trans | -135.1 | 131.8 | -170.7 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 353 | E | 45.8 | Very low | 49.4 | Very low | 198 Ų | 198 | 155.2 Ų | 155.2 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | | | trans | -152.9 | 156.7 | 163.5 | -126.1 | 163.5 | 135.1 | 0 | 0 | 111.6 | | |
| 354 | S | 43.8 | Very low | 49.4 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95 | 153.2 | -170.8 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 355 | P | 64 | Low | 49.6 | Very low | 122 Ų | 122 | 158.9 Ų | 158.9 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138.2 | 171.9 | 29.4 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 356 | P | 51.6 | Low | 49.1 | Very low | 129 Ų | 129 | 154 Ų | 154 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 173.3 | 177.1 | 32.1 | -35.5 | 0 | 0 | 0 | 113.1 | | |
| 357 | A | 45.3 | Very low | 48.9 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -82.4 | 179.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 358 | E | 51.9 | Low | 48.9 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | | | trans | -69.2 | -173.2 | -178.1 | -52.2 | 178.3 | 108.8 | 0 | 0 | 115 | | |
| 359 | L | 50.3 | Low | 49.5 | Very low | 159 Ų | 159 | 159.6 Ų | 159.6 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | 109.4 | 152.1 | 161.9 | -58.8 | -177.2 | 0 | 0 | 0 | 115.5 | | |
| 360 | P | 49.1 | Very low | 50.1 | Low | 118 Ų | 118 | 157.7 Ų | 157.7 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | | | cis | -130.6 | 165.1 | -38 | 35.9 | -21.9 | 0 | 0 | 0 | 112.7 | | |
| 361 | S | 59.1 | Low | 50.3 | Low | 120 Ų | 120 | 155.3 Ų | 155.3 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | | | trans | -91.1 | 125.5 | 179.5 | 52.6 | 0 | 0 | 0 | 0 | 113 | | |
| 362 | L | 39.8 | Very low | 50.4 | Low | 140 Ų | 140 | 146.6 Ų | 146.6 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -156 | 132.7 | 165.7 | -153.4 | 50.7 | 0 | 0 | 0 | 117.8 | | |
| 363 | R | 48 | Very low | 50.1 | Low | 192 Ų | 192 | 147.1 Ų | 147.1 | 73% | 0.725 | 82% | 0.815 | S | S | * | * | | | trans | 67.5 | 101.5 | 153.6 | -79.5 | 165.1 | -161.9 | 179.7 | 5 | 121.7 | | |
| 364 | R | 47.4 | Very low | 50 | Low | 214 Ų | 214 | 143.8 Ų | 143.8 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | | | | 53.5 | 113.6 | 112.7 | -66.2 | 178.1 | -176.6 | 164.9 | -1.3 | 118.5 | T366 | R364-T366 HydrophobicContact CB-CG2 4.34Š|
| 365 | S | 45.9 | Very low | 50.2 | Low | 124 Ų | 124 | 143 Ų | 143 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -90.5 | 153.1 | 132.9 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 366 | T | 47.2 | Very low | 49.4 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -140.2 | 117.2 | -178.7 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | R364 | R364-T366 HydrophobicContact CB-CG2 4.34Š|
| 367 | R | 48.6 | Very low | 49.3 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -144 | 98.7 | 166.5 | -153.1 | 168.7 | -169.6 | -83.8 | -1.1 | 114.4 | | |
| 368 | Q | 50.7 | Low | 49.3 | Very low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 81% | 0.807 | S | S | * | * | | | trans | 51.2 | 108.3 | 142.7 | -63.2 | -177.7 | -26 | 0 | 0 | 120.7 | | |
| 369 | K | 57.6 | Low | 49.2 | Very low | 204 Ų | 204 | 145.3 Ų | 145.3 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | 5.9 | 118.6 | 138.3 | -56.8 | -179.2 | -179.7 | -177.4 | 0 | 118 | | |
| 370 | T | 53.2 | Low | 49.5 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | | -127.3 | 151 | 123.8 | 47 | 0 | 0 | 0 | 0 | 108.8 | | |
| 371 | T | 55.8 | Low | 49.4 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -86.5 | 142.7 | -172 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 372 | G | 51 | Low | 49.3 | Very low | 71 Ų | 71 | 146.1 Ų | 146.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | -167.7 | 37.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C374 | G372-C374 PolarHBondContact O-N 3.17Å; G372-C374 VanDerWaalsContact O-N 3.16Å |
| 373 | S | 45.1 | Very low | 49.7 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -72.9 | 103.9 | -176.4 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 374 | C | 43.8 | Very low | 50.1 | Low | 128 Ų | 128 | 141.7 Ų | 141.7 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -106.6 | 54.3 | 162.7 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | G372 S376 | G372-C374 PolarHBondContact O-N 3.17Å; G372-C374 VanDerWaalsContact O-N 3.16Å; C374-S376 PolarHBondContact O-N 3.17Å |
| 375 | A | 49.4 | Very low | 50.2 | Low | 91 Ų | 91 | 134.8 Ų | 134.8 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | trans | -70.1 | 112.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 376 | S | 45.9 | Very low | 50.5 | Low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | trans | -129.2 | 74 | 167.2 | -76.4 | 0 | 0 | 0 | 0 | 108.8 | C374 S378 | C374-S376 PolarHBondContact O-N 3.17Å; S376-S378 PolarHBondContact O-N 2.95Å |
| 377 | T | 50 | Low | 50.5 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | | | trans | -60.5 | 108.8 | 165.4 | 40.5 | 0 | 0 | 0 | 0 | 107.9 | R379 | T377-R379 PolarHBondContact O-N 3.09Š|
| 378 | S | 44.8 | Very low | 50.3 | Low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -70.3 | 76.6 | 173.8 | -170 | 0 | 0 | 0 | 0 | 109.2 | S376 R380 | S376-S378 PolarHBondContact O-N 2.95Å; S378-R380 PolarHBondContact O-N 3.33Å |
| 379 | R | 51.3 | Low | 50.1 | Low | 231 Ų | 231 | 127.3 Ų | 127.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -64.3 | 103.9 | 170.5 | -75.4 | -167.6 | 176.8 | -138.8 | 0.8 | 107 | T377 G381 | T377-R379 PolarHBondContact O-N 3.09Å; R379-G381 PolarHBondContact O-N 2.92Å |
| 380 | R | 55.1 | Low | 49.6 | Very low | 232 Ų | 232 | 119.1 Ų | 119.1 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | | | trans | -66.4 | 79.7 | 173.4 | -171.4 | -174.2 | -58.9 | -155.7 | 2.6 | 108.9 | S378 S382 | S378-R380 PolarHBondContact O-N 3.33Å; R380-S382 PolarHBondContact O-N 3.11Å |
| 381 | G | 47 | Very low | 49.2 | Very low | 71 Ų | 71 | 118.5 Ų | 118.5 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | | | trans | -70.2 | 105.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R379 G383 | R379-G381 PolarHBondContact O-N 2.92Å; G381-G383 VanDerWaalsContact C-N 3.31Å; G381-G383 PolarHBondContact O-N 2.88Å |
| 382 | S | 57.1 | Low | 48.9 | Very low | 110 Ų | 110 | 116.1 Ų | 116.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | trans | -68.2 | 89.9 | 167.3 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | R380 L384 | R380-S382 PolarHBondContact O-N 3.11Å; S382-L384 PolarHBondContact O-N 2.74Å; S382-L384 VanDerWaalsContact O-N 3.11Å |
| 383 | G | 49.5 | Very low | 48.9 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | | | trans | -65.7 | 105.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G381 G385 | G381-G383 VanDerWaalsContact C-N 3.31Å; G381-G383 PolarHBondContact O-N 2.88Å; G383-G385 PolarHBondContact O-N 3.19Å |
| 384 | L | 55.1 | Low | 49.4 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | | | trans | -62.5 | 113.8 | 175.3 | -77.8 | 162.1 | 0 | 0 | 0 | 109.6 | S382 K386 | S382-L384 PolarHBondContact O-N 2.74Å; S382-L384 VanDerWaalsContact O-N 3.11Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.71Å |
| 385 | G | 50.1 | Low | 49.7 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | | | trans | -74.5 | 76 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G383 R387 | G383-G385 PolarHBondContact O-N 3.19Å; G385-R387 PolarHBondContact O-N 2.75Å |
| 386 | K | 51.6 | Low | 49.4 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 67% | 0.665 | 73% | 0.725 | S | S | * | * | | | trans | -61.4 | 118.9 | 160 | -79.7 | -153.3 | 173.9 | -168.4 | 0 | 106.8 | D90 L384 G388 | D90-K386 IonicContact OD1-NZ 3.03Å; D90-K386 PolarHBondContact OD1-NZ 3.29Å; D90-K386 IonicContact OD2-NZ 2.71Å; D90-K386 PolarHBondContact OD2-NZ 3.21Å; L384-K386 VanDerWaalsContact C-N 3.29Å; L384-K386 PolarHBondContact O-N 2.71Å; K386-G388 PolarHBondContact O-N 2.81Å |
| 387 | R | 47.2 | Very low | 49.9 | Very low | 183 Ų | 183 | 135.1 Ų | 135.1 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | | | trans | -75.6 | 73.6 | -177.8 | -72.2 | 170.6 | -76.9 | -174.6 | -1.7 | 109.1 | A94 G385 A389 | A94-R387 WeakPolarHBondContact CA-O 3.35Å; A94-R387 HydrophobicContact CB-CB 3.64Å; G385-R387 PolarHBondContact O-N 2.75Å; R387-A389 PolarHBondContact O-N 3.22Å |
| 388 | G | 45.6 | Very low | 49.3 | Very low | 60 Ų | 60 | 137.5 Ų | 137.5 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | | | trans | -60.2 | 121.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K386 | K386-G388 PolarHBondContact O-N 2.81Š|
| 389 | A | 45.6 | Very low | 49.4 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 55% | 0.554 | 73% | 0.729 | S | S | * | * | | | trans | -63.8 | 152.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | N95 T96 R387 | N95-A389 VanDerWaalsContact OD1-CA 3.24Å; N95-A389 WeakPolarHBondContact OD1-CA 3.24Å; N95-A389 WeakPolarHBondContact OD1-CB 3.43Å; T96-A389 CarbonylContact O-C 3.02Å; T96-A389 WeakPolarHBondContact O-CA 3Å; R387-A389 PolarHBondContact O-N 3.22Å |
| 390 | A | 47.9 | Very low | 48.9 | Very low | 31 Ų | 31 | 132.3 Ų | 132.3 | 26% | 0.256 | 73% | 0.725 | S | S | . | * | | | trans | -139.2 | 75.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | N95 T96 A392 | N95-A390 PolarHBondContact OD1-N 2.71Å; T96-A390 WeakPolarHBondContact O-CB 3.2Å; T96-A390 PolarHBondContact O-N 2.78Å; T96-A390 PolarHBondContact OG1-O 3.3Å; A390-A392 PolarHBondContact O-N 2.94Å |
| 391 | E | 44.3 | Very low | 49.1 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | | | trans | -44.2 | 123 | 152.5 | -146.5 | 73.6 | -179.9 | 0 | 0 | 107.1 | N95 R393 | N95-E391 PolarHBondContact ND2-OE2 2.74Å; N95-E391 PolarHBondContact OD1-N 3.14Å; N95-E391 VanDerWaalsContact OD1-N 3.14Å; E391-R393 PolarHBondContact O-N 3.38Å |
| 392 | A | 49 | Very low | 49.1 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | | | trans | -75.7 | 61 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A390 R394 | A390-A392 PolarHBondContact O-N 2.94Å; A392-R394 PolarHBondContact O-N 3.23Å |
| 393 | R | 51.9 | Low | 48.2 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | | | trans | -79.3 | 67.1 | -165.7 | -154 | 169.6 | -169.8 | 163.8 | 2.6 | 112 | E391 E396 | E391-R393 PolarHBondContact O-N 3.38Å; R393-E396 IonicContact CZ-OE1 3.28Å; R393-E396 IonicContact NE-OE1 3.3Å; R393-E396 PolarHBondContact NE-OE1 2.7Å; R393-E396 IonicContact NE-OE2 2.71Å; R393-E396 IonicContact NH2-OE1 2.78Å; R393-E396 PolarHBondContact NH2-OE1 2.71Å; R393-E396 IonicContact NH2-OE2 2.7Å |
| 394 | R | 55.6 | Low | 47.8 | Very low | 236 Ų | 236 | 134.8 Ų | 134.8 | 89% | 0.891 | 72% | 0.719 | S | S | * | * | | | trans | -139.3 | 66 | 168.9 | -79.9 | -166.9 | 173.2 | 130.6 | -1 | 110.8 | A392 | A392-R394 PolarHBondContact O-N 3.23Š|
| 395 | Q | 50 | Low | 47.4 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | | | trans | -169 | 65.1 | 146.4 | -80.7 | -132.1 | 31.5 | 0 | 0 | 109.6 | K397 | Q395-K397 PolarHBondContact O-N 3.17Š|
| 396 | E | 43.7 | Very low | 47.1 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 61% | 0.607 | 72% | 0.724 | S | S | * | * | | | trans | -91.9 | 81.8 | 164 | -80.3 | 179.7 | -169.5 | 0 | 0 | 109.3 | R393 M398 | R393-E396 IonicContact CZ-OE1 3.28Å; R393-E396 IonicContact NE-OE1 3.3Å; R393-E396 PolarHBondContact NE-OE1 2.7Å; R393-E396 IonicContact NE-OE2 2.71Å; R393-E396 IonicContact NH2-OE1 2.78Å; R393-E396 PolarHBondContact NH2-OE1 2.71Å; R393-E396 IonicContact NH2-OE2 2.7Å; E396-M398 VanDerWaalsContact C-N 3.26Å; E396-M398 PolarHBondContact O-N 2.95Å; E396-M398 VanDerWaalsContact O-N 3.17Å |
| 397 | K | 54.9 | Low | 46.6 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | | | trans | -83.1 | 75 | 167.6 | -172.3 | -170 | 173.4 | -173.5 | 0 | 108.7 | Q395 | Q395-K397 PolarHBondContact O-N 3.17Š|
| 398 | M | 37 | Very low | 46.5 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -115.9 | 90 | 172.6 | -64.4 | -57.6 | -67.8 | 0 | 0 | 109.3 | E396 | E396-M398 VanDerWaalsContact C-N 3.26Å; E396-M398 PolarHBondContact O-N 2.95Å; E396-M398 VanDerWaalsContact O-N 3.17Å |
| 399 | A | 48.7 | Very low | 46.2 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | -148.1 | 88.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 400 | D | 40.3 | Very low | 45.8 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | -111 | 117.5 | -176.7 | -165.5 | 16 | 0 | 0 | 0 | 108.6 | | |
| 401 | P | 58 | Low | 45.4 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -104.9 | 113.6 | 163 | 32.8 | -22.3 | 0 | 0 | 0 | 109.6 | | |
| 402 | E | 48.6 | Very low | 45.1 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | -58.9 | 163.7 | 169.6 | -69.6 | -173.1 | 115.4 | 0 | 0 | 112.2 | | |
| 403 | S | 37.5 | Very low | 44.6 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | trans | 76 | 102.6 | 172.3 | -160.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 404 | N | 41.8 | Very low | 44.2 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | | -148.6 | 164.8 | 85.7 | -105.4 | -84.1 | 0 | 0 | 0 | 112.4 | | |
| 405 | Q | 45.9 | Very low | 43.5 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -72.7 | 165.5 | -157 | -64.1 | 174.3 | -6.9 | 0 | 0 | 115.1 | T407 | Q405-T407 PolarHBondContact O-N 3.37Š|
| 406 | E | 43.9 | Very low | 43.1 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | -54 | 129.7 | 162.8 | -64.4 | 161.9 | 100.6 | 0 | 0 | 110.9 | | |
| 407 | T | 42.1 | Very low | 42.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -144 | 103.2 | 148.2 | -38.4 | 0 | 0 | 0 | 0 | 109.5 | Q405 N409 | Q405-T407 PolarHBondContact O-N 3.37Å; T407-N409 PolarHBondContact O-N 3.42Å |
| 408 | V | 43.6 | Very low | 42.6 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -52.7 | 127.3 | 161.7 | -91.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 409 | N | 39 | Very low | 43.5 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -170.3 | 97.1 | 141.7 | -96.5 | -35.7 | 0 | 0 | 0 | 111.5 | T407 | T407-N409 PolarHBondContact O-N 3.42Š|
| 410 | S | 37.2 | Very low | 43.4 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -77.5 | 120.2 | 160.2 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 411 | S | 40.4 | Very low | 43.5 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | 175.9 | 159.4 | 146.3 | -88.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 412 | A | 37.8 | Very low | 42.6 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | 72.8 | 77.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 413 | A | 37.9 | Very low | 42 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | | | | 75.1 | 164.6 | 116.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 414 | R | 44.6 | Very low | 42.3 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 85% | 0.846 | S | S | * | * | | | trans | 76.8 | 115.1 | 176.4 | -59.4 | 178.9 | -178.1 | 178.2 | 0 | 113.9 | | |
| 415 | T | 40.8 | Very low | 42.3 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | | | cis | 57 | 125.5 | 18.6 | 82.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 416 | D | 41.1 | Very low | 42.1 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 82% | 0.824 | 85% | 0.851 | S | S | * | * | | | cis | -154.9 | 159.8 | -3.9 | -171.4 | 19.8 | 0 | 0 | 0 | 107.9 | | |
| 417 | E | 37.9 | Very low | 42 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | | | trans | -101.6 | 105.6 | -177.1 | -130.2 | -65.2 | 154.9 | 0 | 0 | 110.7 | | |
| 418 | A | 50.4 | Low | 42 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 85% | 0.852 | S | S | * | * | | | trans | -155.4 | 118.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 419 | P | 54.9 | Low | 41.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 86% | 0.856 | S | S | * | * | | | trans | -117.4 | 85.9 | 149.3 | 34.3 | -25.4 | 0 | 0 | 0 | 111 | | |
| 420 | Q | 48.2 | Very low | 42.1 | Very low | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 86% | 0.856 | S | S | * | * | | | trans | -83.2 | 136.1 | 144.2 | -63.9 | 177 | -2.1 | 0 | 0 | 106.3 | | |
| 421 | G | 41.6 | Very low | 42.5 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 86% | 0.859 | S | S | * | * | | | cis | 115.2 | 71.4 | 6.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 422 | A | 38.7 | Very low | 42.6 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | | | trans | -163.1 | 154.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 423 | A | 37.6 | Very low | 43.1 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 100% | 1.504 | 87% | 0.868 | S | S | * | * | | | trans | 59.9 | 0 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |