| 1 | G | 48 | Very low | 49.8 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 100% | 1.32 | 85% | 0.846 | S | S | * | * | | | | 0 | 126.5 | 0 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 2 | T | 41.5 | Very low | 49 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | | | trans | -158.2 | 101.5 | 153.6 | 3.7 | 0 | 0 | 0 | 0 | 105 | | |
| 3 | V | 50.5 | Low | 48.9 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | | | trans | -85.8 | 117.7 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 106 | | |
| 4 | T | 52.1 | Low | 48.7 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | | | trans | -127.2 | 95.1 | 158 | 42.6 | 0 | 0 | 0 | 0 | 106.8 | S6 | T4-S6 PolarHBondContact O-N 3.39Š|
| 5 | G | 47 | Very low | 48.4 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | | | trans | -61 | 127.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.8 | L7 | G5-L7 PolarHBondContact O-N 3.42Š|
| 6 | S | 44.3 | Very low | 48.7 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | | | trans | -78.8 | 76.2 | 171.2 | -160.2 | 0 | 0 | 0 | 0 | 108.7 | T4 T8 | T4-S6 PolarHBondContact O-N 3.39Å; S6-T8 PolarHBondContact O-N 3.24Å |
| 7 | L | 57.5 | Low | 48.3 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | | | trans | -67.1 | 103 | 150.9 | -93.5 | 154.5 | 0 | 0 | 0 | 106 | G5 | G5-L7 PolarHBondContact O-N 3.42Š|
| 8 | T | 49.4 | Very low | 48.3 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | | | trans | 166.2 | 68.6 | 131.4 | 34.2 | 0 | 0 | 0 | 0 | 111.5 | S6 Q10 | S6-T8 PolarHBondContact O-N 3.24Å; T8-Q10 PolarHBondContact O-N 3.24Å; T8-Q10 VanDerWaalsContact O-N 3.08Å |
| 9 | G | 54.5 | Low | 48.2 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | -73.5 | 69.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 10 | Q | 51 | Low | 48.5 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -138.6 | 95.7 | 160.9 | -72.4 | -159.5 | -9.3 | 0 | 0 | 109 | T8 W12 | T8-Q10 PolarHBondContact O-N 3.24Å; T8-Q10 VanDerWaalsContact O-N 3.08Å; Q10-W12 PolarHBondContact O-N 3.21Å |
| 11 | N | 51.9 | Low | 48.9 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | | | trans | -44.4 | 117.5 | 162.4 | 170.3 | 10.9 | 0 | 0 | 0 | 111.5 | N13 | N11-N13 PolarHBondContact OD1-N 3.19Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å |
| 12 | W | 40.9 | Very low | 48.8 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -128 | 93.4 | 152.2 | -71.4 | 88.7 | 0 | 0 | 0 | 108.4 | Q10 M14 | Q10-W12 PolarHBondContact O-N 3.21Å; W12-M14 VanDerWaalsContact C-N 3.28Å; W12-M14 PolarHBondContact O-N 3.18Å |
| 13 | N | 46.9 | Very low | 49.3 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -67.7 | 87.1 | 161.2 | -172.2 | 16.3 | 0 | 0 | 0 | 108.9 | N11 | N11-N13 PolarHBondContact OD1-N 3.19Å; N11-N13 VanDerWaalsContact OD1-N 3.13Å |
| 14 | M | 46.6 | Very low | 49.6 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | trans | -100.7 | 110.6 | 159 | -95.6 | -171.2 | -72.8 | 0 | 0 | 108.3 | W12 | W12-M14 VanDerWaalsContact C-N 3.28Å; W12-M14 PolarHBondContact O-N 3.18Å |
| 15 | G | 44.5 | Very low | 49.9 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | 58.3 | 99.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 16 | G | 52.5 | Low | 50.3 | Low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -47.1 | 141.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 17 | N | 42.1 | Very low | 50.4 | Low | 155 Ų | 155 | 135.3 Ų | 135.3 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | trans | -152.2 | 146 | 137.6 | -116.6 | -29.2 | 0 | 0 | 0 | 108.7 | | |
| 18 | I | 48 | Very low | 49.7 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -64.8 | 135.6 | -157.6 | -66.4 | 146.9 | 0 | 0 | 0 | 112.1 | E20 | I18-E20 PolarHBondContact O-N 3.2Š|
| 19 | V | 46.4 | Very low | 49.4 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | -72.7 | 106.7 | 159.2 | 167.2 | 0 | 0 | 0 | 0 | 106.7 | A21 | V19-A21 VanDerWaalsContact C-N 3.26Å; V19-A21 HydrophobicContact CG1-CB 4.01Å; V19-A21 PolarHBondContact O-N 3.38Å; V19-A21 VanDerWaalsContact O-N 3.14Å |
| 20 | E | 55.2 | Low | 49.3 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -72 | 93.7 | 153 | -73.3 | -175.1 | 124.8 | 0 | 0 | 105.9 | I18 E22 | I18-E20 PolarHBondContact O-N 3.2Å; E20-E22 PolarHBondContact O-N 2.68Å |
| 21 | A | 55 | Low | 49.2 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 107.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | V19 E23 | V19-A21 VanDerWaalsContact C-N 3.26Å; V19-A21 HydrophobicContact CG1-CB 4.01Å; V19-A21 PolarHBondContact O-N 3.38Å; V19-A21 VanDerWaalsContact O-N 3.14Å; A21-E23 PolarHBondContact O-N 3.27Å |
| 22 | E | 47.7 | Very low | 49 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -42.3 | 131.7 | 171.9 | -71.4 | 169 | 89.8 | 0 | 0 | 111.1 | E20 D24 | E20-E22 PolarHBondContact O-N 2.68Å; E22-D24 PolarHBondContact O-N 3.29Å |
| 23 | E | 50.8 | Low | 49.4 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -53.3 | 132.4 | 172.6 | -75.8 | 168.3 | 94.3 | 0 | 0 | 111.2 | A21 | A21-E23 PolarHBondContact O-N 3.27Š|
| 24 | D | 56.5 | Low | 49.2 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | | | trans | -62.1 | 123.8 | 164.1 | 177.4 | 22.4 | 0 | 0 | 0 | 109.4 | E22 H26 | E22-D24 PolarHBondContact O-N 3.29Å; D24-H26 PolarHBondContact O-N 3.47Å; D24-H26 VanDerWaalsContact O-N 3.09Å; D24-H26 IonicContact OD1-CD2 3.66Å |
| 25 | P | 59.5 | Low | 49.4 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -73 | 3.3 | -176.1 | 29.1 | -35.8 | 0 | 0 | 0 | 114.5 | | |
| 26 | H | 54.7 | Low | 49.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -108 | 74.8 | 176.7 | -62.8 | -65.7 | 0 | 0 | 0 | 111 | D24 | D24-H26 PolarHBondContact O-N 3.47Å; D24-H26 VanDerWaalsContact O-N 3.09Å; D24-H26 IonicContact OD1-CD2 3.66Å |
| 27 | G | 45.9 | Very low | 49.2 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | trans | -51.5 | 150.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 28 | G | 43 | Very low | 49.7 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -179.2 | 58.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 29 | G | 43.3 | Very low | 49.8 | Very low | 71 Ų | 71 | 140.4 Ų | 140.4 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | 79.3 | 112.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 30 | I | 53.4 | Low | 49.9 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -16.7 | 144.4 | 141.4 | 60.6 | 167.7 | 0 | 0 | 0 | 115 | | |
| 31 | E | 49.3 | Very low | 49.7 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | | -170.6 | 150.5 | 61.3 | -75.7 | 171.5 | 157.2 | 0 | 0 | 111.5 | | |
| 32 | E | 47.1 | Very low | 49.4 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | 2.8 | 137.4 | 153.6 | -153 | 171.3 | 102.3 | 0 | 0 | 121.8 | T34 | E32-T34 PolarHBondContact O-N 3.31Š|
| 33 | P | 48.1 | Very low | 49.7 | Very low | 131 Ų | 131 | 139 Ų | 139 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -83.1 | 97.9 | 170.9 | 32.7 | -31.3 | 0 | 0 | 0 | 111.7 | A35 | P33-A35 PolarHBondContact O-N 3.36Š|
| 34 | T | 43.9 | Very low | 49.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 117.2 | 167.5 | -40.7 | 0 | 0 | 0 | 0 | 109.9 | E32 E36 | E32-T34 PolarHBondContact O-N 3.31Å; T34-E36 PolarHBondContact O-N 3.15Å |
| 35 | A | 50.7 | Low | 48.4 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -69.8 | 111.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P33 | P33-A35 PolarHBondContact O-N 3.36Š|
| 36 | E | 46 | Very low | 48 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -96.3 | 101.8 | 168.9 | -150.8 | 173.9 | 99.3 | 0 | 0 | 108.8 | T34 K38 | T34-E36 PolarHBondContact O-N 3.15Å; E36-K38 PolarHBondContact O-N 3.35Å |
| 37 | Q | 47.4 | Very low | 47.3 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -69.6 | 109.4 | 169.4 | -70.3 | 178.6 | -102.8 | 0 | 0 | 108.6 | E39 | Q37-E39 PolarHBondContact O-N 3.15Š|
| 38 | K | 52 | Low | 47.5 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -90.1 | 87.5 | 171.3 | -159.8 | 175.3 | -174.2 | 178.8 | 0 | 109.9 | E36 | E36-K38 PolarHBondContact O-N 3.35Š|
| 39 | E | 49 | Very low | 48.1 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -90 | 108.7 | 163.8 | -168.6 | 178.7 | 136.5 | 0 | 0 | 107.7 | Q37 | Q37-E39 PolarHBondContact O-N 3.15Š|
| 40 | E | 49.2 | Very low | 48.1 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | | | trans | -149.2 | 77.2 | 154.6 | -119 | 174.4 | 105.8 | 0 | 0 | 108.2 | S42 | E40-S42 PolarHBondContact O-N 3.08Š|
| 41 | E | 50.9 | Low | 48 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | | | trans | -62.4 | 115 | 152.6 | -179.9 | 179.3 | 110 | 0 | 0 | 107.6 | | |
| 42 | S | 48.3 | Very low | 48 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | -142.1 | 75.2 | 160.5 | -80.3 | 0 | 0 | 0 | 0 | 107.9 | E40 E44 | E40-S42 PolarHBondContact O-N 3.08Å; S42-E44 PolarHBondContact O-N 3.42Å |
| 43 | A | 54 | Low | 48 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -76.2 | 98.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 44 | E | 41.1 | Very low | 48.3 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -110.6 | 103.4 | 168.3 | -162.4 | 165.3 | 91.3 | 0 | 0 | 111.4 | S42 | S42-E44 PolarHBondContact O-N 3.42Š|
| 45 | S | 40 | Very low | 48.3 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | | | trans | 68.3 | 104.8 | 135.3 | -59.2 | 0 | 0 | 0 | 0 | 122.2 | | |
| 46 | K | 49.8 | Very low | 47.9 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | | 59.9 | 98.3 | 113.8 | -116.2 | 159.6 | -178.3 | 168.1 | 0 | 118.9 | | |
| 47 | S | 41 | Very low | 48.3 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | | -162 | 120.5 | 128.4 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 48 | A | 50.9 | Low | 48.5 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -104.6 | 110.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 49 | D | 53.8 | Low | 48.6 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -168.5 | 113.1 | 153.5 | -98.3 | -48.9 | 0 | 0 | 0 | 109.7 | | |
| 50 | G | 44.2 | Very low | 49 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 107.9 | 82.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 51 | I | 50.6 | Low | 49.4 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | | | trans | -70.6 | 128.2 | 151 | -61.6 | -174.7 | 0 | 0 | 0 | 105.7 | | |
| 52 | P | 49.2 | Very low | 49.7 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | | -153.6 | 147.9 | 68.4 | 37.2 | -15.6 | 0 | 0 | 0 | 117.2 | | |
| 53 | E | 48.1 | Very low | 50.1 | Low | 201 Ų | 201 | 131.6 Ų | 131.6 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -139.8 | 104.1 | 139.5 | -135.1 | 173.1 | 125.1 | 0 | 0 | 109.7 | | |
| 54 | A | 54.2 | Low | 50.5 | Low | 89 Ų | 89 | 132.7 Ų | 132.7 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -82.5 | 128.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 55 | S | 43.3 | Very low | 51.3 | Low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 178.6 | 115.8 | 147.1 | -86.6 | 0 | 0 | 0 | 0 | 109 | | |
| 56 | S | 43.1 | Very low | 52.2 | Low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | | 85.8 | 129.6 | 92 | -156.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 57 | A | 54 | Low | 52.3 | Low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | cis | -160.2 | 145.8 | 32.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 58 | A | 52.1 | Low | 52.9 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | 33.6 | 105.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120 | A60 | A58-A60 VanDerWaalsContact O-N 3.08Å; A58-A60 PolarHBondContact O-N 2.95Å |
| 59 | N | 54.6 | Low | 53.1 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -60.9 | 96.6 | 153.1 | -176.5 | 30.9 | 0 | 0 | 0 | 110.2 | Q61 | N59-Q61 PolarHBondContact O-N 3.08Š|
| 60 | A | 56.3 | Low | 52.9 | Low | 83 Ų | 83 | 130.3 Ų | 130.3 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | | | trans | -88.6 | 84.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A58 K62 | A58-A60 VanDerWaalsContact O-N 3.08Å; A58-A60 PolarHBondContact O-N 2.95Å; A60-K62 PolarHBondContact O-N 3.27Å; A60-K62 VanDerWaalsContact O-N 3.15Å |
| 61 | Q | 57 | Low | 53.4 | Low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -62.7 | 112.1 | 166.9 | -66.3 | -175.8 | -87 | 0 | 0 | 108.3 | N59 E63 | N59-Q61 PolarHBondContact O-N 3.08Å; Q61-E63 PolarHBondContact O-N 3.32Å; Q61-E63 VanDerWaalsContact O-N 3.15Å |
| 62 | K | 58.6 | Low | 53.4 | Low | 194 Ų | 194 | 131.6 Ų | 131.6 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -80.5 | 92.2 | 171.8 | -67.2 | -167.4 | 169.8 | -168.3 | 0 | 108.7 | A60 | A60-K62 PolarHBondContact O-N 3.27Å; A60-K62 VanDerWaalsContact O-N 3.15Å |
| 63 | E | 56.1 | Low | 53.4 | Low | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -70.5 | 122.4 | 161.6 | -161.7 | 178.3 | 75.5 | 0 | 0 | 108.1 | Q61 W65 | Q61-E63 PolarHBondContact O-N 3.32Å; Q61-E63 VanDerWaalsContact O-N 3.15Å; E63-W65 VanDerWaalsContact CD-NE1 3.26Å; E63-W65 PolarHBondContact OE1-NE1 2.99Å |
| 64 | T | 62 | Low | 53.5 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -116.1 | 92.5 | 173.5 | 35.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 65 | W | 57.9 | Low | 53.2 | Low | 209 Ų | 209 | 130.2 Ų | 130.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -94 | 94.4 | 166 | -76.9 | 96 | 0 | 0 | 0 | 108.5 | E63 G67 | E63-W65 VanDerWaalsContact CD-NE1 3.26Å; E63-W65 PolarHBondContact OE1-NE1 2.99Å; W65-G67 VanDerWaalsContact C-N 3.31Å; W65-G67 PolarHBondContact O-N 3.13Å |
| 66 | D | 58.4 | Low | 53.7 | Low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | | | trans | -91.4 | 74.3 | 164 | -79.9 | -59.8 | 0 | 0 | 0 | 109.2 | | |
| 67 | G | 53.2 | Low | 54 | Low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -102.9 | 87.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W65 | W65-G67 VanDerWaalsContact C-N 3.31Å; W65-G67 PolarHBondContact O-N 3.13Å |
| 68 | A | 53.9 | Low | 53.7 | Low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -122.1 | 90.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 69 | G | 55.3 | Low | 53.3 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -79.6 | 131.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 70 | E | 48.5 | Very low | 53.2 | Low | 200 Ų | 200 | 138 Ų | 138 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | | | trans | -148.9 | 124.1 | 141.5 | -108.7 | 175.2 | 121.7 | 0 | 0 | 108 | | |
| 71 | A | 55.3 | Low | 53.1 | Low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | | | trans | -69.1 | 157.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 72 | L | 49.4 | Very low | 52.8 | Low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | | | | 167 | 115.9 | 121.6 | -85.6 | 171.2 | 0 | 0 | 0 | 109.6 | | |
| 73 | G | 49.3 | Very low | 52.6 | Low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 167.3 | 62.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A75 | G73-A75 PolarHBondContact O-N 3.09Š|
| 74 | E | 50.5 | Low | 52.4 | Low | 197 Ų | 197 | 134.9 Ų | 134.9 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | 7.8 | 103.9 | 146.2 | -162.2 | 159.5 | 115.4 | 0 | 0 | 117.1 | | |
| 75 | A | 47.8 | Very low | 52 | Low | 102 Ų | 102 | 134.7 Ų | 134.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -138.8 | 88.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | G73 | G73-A75 PolarHBondContact O-N 3.09Š|
| 76 | A | 53.6 | Low | 51.9 | Low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -54.2 | 147.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 77 | A | 50.6 | Low | 51.9 | Low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -40 | 141.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 78 | E | 46.6 | Very low | 51.9 | Low | 150 Ų | 150 | 132 Ų | 132 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | | 176.1 | 130.6 | 99.6 | -97.2 | -175.2 | 107.6 | 0 | 0 | 109.7 | R80 | E78-R80 IonicContact OE1-NH2 3.95Å; E78-R80 PolarHBondContact OE1-NH2 3.5Å; E78-R80 IonicContact OE1-NE 3.86Å; E78-R80 IonicContact OE1-CZ 2.68Å; E78-R80 PolarHBondContact O-N 3.46Å |
| 79 | E | 45.1 | Very low | 52 | Low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | trans | -45.2 | 135.1 | 146 | -78.7 | 178.6 | 82.9 | 0 | 0 | 109.5 | | |
| 80 | R | 50.7 | Low | 52 | Low | 206 Ų | 206 | 140.5 Ų | 140.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | | -170.7 | 121.6 | 118.8 | -100.3 | 171.2 | -94.1 | 175 | -7.2 | 110.8 | E78 G82 | E78-R80 IonicContact OE1-NH2 3.95Å; E78-R80 PolarHBondContact OE1-NH2 3.5Å; E78-R80 IonicContact OE1-NE 3.86Å; E78-R80 IonicContact OE1-CZ 2.68Å; E78-R80 PolarHBondContact O-N 3.46Å; R80-G82 PolarHBondContact O-N 3.18Å |
| 81 | T | 55.9 | Low | 52.4 | Low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -48.3 | 116.1 | 165.3 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 82 | G | 49.7 | Very low | 52.4 | Low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -123.2 | 93.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R80 | R80-G82 PolarHBondContact O-N 3.18Š|
| 83 | T | 53.9 | Low | 52.6 | Low | 130 Ų | 130 | 140.7 Ų | 140.7 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | -128.2 | 109.3 | 158.1 | 43.9 | 0 | 0 | 0 | 0 | 108 | | |
| 84 | E | 52.9 | Low | 52.8 | Low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | 34.5 | 104.8 | 151.5 | -97.9 | 144.4 | 130.1 | 0 | 0 | 118.4 | | |
| 85 | D | 54.4 | Low | 53 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | | | | 78.2 | 81 | 86.4 | -163.4 | 39.1 | 0 | 0 | 0 | 112.9 | | |
| 86 | M | 55.7 | Low | 53.4 | Low | 193 Ų | 193 | 139.9 Ų | 139.9 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | | | trans | -141.2 | 65.8 | 166.4 | -76.6 | -68.3 | -116.8 | 0 | 0 | 109.3 | | |
| 87 | A | 58.3 | Low | 53.4 | Low | 67 Ų | 67 | 144.4 Ų | 144.4 | 55% | 0.554 | 79% | 0.785 | S | S | * | * | | | trans | -143.7 | 124.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R89 | A87-R89 PolarHBondContact O-N 3.14Š|
| 88 | P | 51.5 | Low | 53.4 | Low | 125 Ų | 125 | 149.3 Ų | 149.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -68.2 | 117.3 | 177.2 | 28.6 | -31.7 | 0 | 0 | 0 | 109 | T90 | P88-T90 PolarHBondContact O-N 3.3Š|
| 89 | R | 56.7 | Low | 53.4 | Low | 224 Ų | 224 | 147.6 Ų | 147.6 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -79.7 | 101.5 | 177.4 | -62.3 | -173.2 | -178.4 | -172.7 | 1.4 | 108.9 | A87 E91 | A87-R89 PolarHBondContact O-N 3.14Å; R89-E91 PolarHBondContact O-N 3.26Å |
| 90 | T | 56.6 | Low | 53.1 | Low | 132 Ų | 132 | 144.7 Ų | 144.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | trans | -63.4 | 111.9 | 167.5 | -27.2 | 0 | 0 | 0 | 0 | 108.5 | P88 K92 | P88-T90 PolarHBondContact O-N 3.3Å; T90-K92 PolarHBondContact O-N 3.31Å |
| 91 | E | 55.7 | Low | 52.8 | Low | 168 Ų | 168 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -58.4 | 115.8 | 175.3 | -173.3 | 166 | 98.9 | 0 | 0 | 109.8 | R89 V93 | R89-E91 PolarHBondContact O-N 3.26Å; E91-V93 HydrophobicContact CG-CG2 4.23Å; E91-V93 PolarHBondContact O-N 3.4Å |
| 92 | K | 54.5 | Low | 52.3 | Low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | | | trans | -84 | 92.1 | 170.7 | -71.3 | -171.2 | 179.2 | -179.4 | 0 | 108.1 | T90 A94 | T90-K92 PolarHBondContact O-N 3.31Å; K92-A94 PolarHBondContact O-N 3.28Å |
| 93 | V | 55.1 | Low | 51.7 | Low | 105 Ų | 105 | 138.2 Ų | 138.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | trans | -68.1 | 113.1 | 168.7 | -171.1 | 0 | 0 | 0 | 0 | 107.9 | E91 V95 | E91-V93 HydrophobicContact CG-CG2 4.23Å; E91-V93 PolarHBondContact O-N 3.4Å; V93-V95 HydrophobicContact CG1-CG2 3.68Å; V93-V95 PolarHBondContact O-N 3.33Å |
| 94 | A | 53.5 | Low | 51.1 | Low | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | | | trans | -81.9 | 102.1 | 167 | 0 | 0 | 0 | 0 | 0 | 108 | K92 | K92-A94 PolarHBondContact O-N 3.28Š|
| 95 | V | 54 | Low | 51 | Low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 116.4 | 165.2 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | V93 | V93-V95 HydrophobicContact CG1-CG2 3.68Å; V93-V95 PolarHBondContact O-N 3.33Å |
| 96 | V | 57 | Low | 50.5 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 135.8 | 176.6 | 167.3 | 0 | 0 | 0 | 0 | 110.5 | E98 | V96-E98 PolarHBondContact O-N 3.43Š|
| 97 | E | 53.6 | Low | 50.1 | Low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121 | 168.4 | -72.5 | -175.5 | 112 | 0 | 0 | 110.5 | | |
| 98 | E | 49.7 | Very low | 49.7 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -123.2 | 120.3 | 156 | -170.9 | 176.9 | 95.9 | 0 | 0 | 109 | V96 | V96-E98 PolarHBondContact O-N 3.43Š|
| 99 | V | 46.5 | Very low | 49.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -76.8 | 156.6 | 175.8 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 100 | T | 38.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 118.4 | 108.6 | 144.1 | -15.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 101 | S | 45.1 | Very low | 48.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 49.7 | 116.5 | 139.1 | -62.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 102 | A | 45 | Very low | 48.2 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | | 142.8 | 117.8 | 110.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 103 | G | 36.3 | Very low | 48 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 107.7 | 107.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 104 | A | 43.3 | Very low | 47.7 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 44.1 | 131.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 105 | M | 49.1 | Very low | 47.3 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | | -153.4 | 137.4 | 51 | -64.1 | 174.7 | -166.3 | 0 | 0 | 110.6 | | |
| 106 | V | 44.8 | Very low | 46.9 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | -57.3 | 132.4 | 160.4 | 162.8 | 0 | 0 | 0 | 0 | 109.8 | T108 | V106-T108 HydrophobicContact CG1-CG2 3.29Š|
| 107 | E | 46.9 | Very low | 46.2 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | -127.4 | 130.5 | 135.2 | -152.8 | 172.4 | 107.2 | 0 | 0 | 107.8 | | |
| 108 | T | 49.1 | Very low | 46 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 56% | 0.558 | 80% | 0.801 | S | S | * | * | | | trans | -86.4 | 148 | -152.5 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | V106 | V106-T108 HydrophobicContact CG1-CG2 3.29Š|
| 109 | E | 43.9 | Very low | 46 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | 53.4 | 119.6 | 136.5 | -68.5 | 170.5 | 69 | 0 | 0 | 117.6 | | |
| 110 | Q | 45.8 | Very low | 46.1 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | | | | -151.5 | 107.9 | 75.9 | -172.3 | 170.2 | 89.9 | 0 | 0 | 112.1 | | |
| 111 | E | 54.9 | Low | 46.1 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -108.9 | 131.8 | 154.6 | -86.2 | -177.1 | 89.4 | 0 | 0 | 108.3 | | |
| 112 | Q | 45.8 | Very low | 46.1 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | | 159.5 | 112.2 | 128.4 | -88.6 | -177.1 | 58.9 | 0 | 0 | 109.9 | | |
| 113 | A | 50.8 | Low | 46.2 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | | | | 92 | 169.5 | 74.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 114 | P | 48.7 | Very low | 46.9 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | cis | -131.6 | -173 | -20.4 | 24.1 | 1.4 | 0 | 0 | 0 | 113.3 | | |
| 115 | E | 44.6 | Very low | 47 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -39.3 | 149.1 | 175.8 | -68.1 | 160.6 | 102.7 | 0 | 0 | 118.7 | | |
| 116 | A | 45.8 | Very low | 47 | Very low | 83 Ų | 83 | 149.7 Ų | 149.7 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | | | | 171.4 | 125.8 | 121.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 117 | Q | 42.7 | Very low | 46.9 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | | | trans | 59.2 | 123.4 | 132.4 | -56.8 | -177 | -92.3 | 0 | 0 | 123.2 | | |
| 118 | D | 48 | Very low | 46.8 | Very low | 151 Ų | 151 | 150.7 Ų | 150.7 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | 37.5 | 117.1 | 143.1 | -73.9 | -31.9 | 0 | 0 | 0 | 120.9 | | |
| 119 | R | 50.3 | Low | 46.8 | Very low | 244 Ų | 244 | 154.8 Ų | 154.8 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -150.6 | 100.3 | 139.5 | -131.4 | -177.6 | -173.8 | 102.3 | -1.4 | 112.6 | | |
| 120 | E | 48.7 | Very low | 46.8 | Very low | 195 Ų | 195 | 152.7 Ų | 152.7 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | -53.3 | 140 | 151.8 | -176.9 | -178.3 | 149.2 | 0 | 0 | 110.2 | | |
| 121 | G | 38.4 | Very low | 46.6 | Very low | 77 Ų | 77 | 146.4 Ų | 146.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | 155.2 | 114.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 122 | G | 44.5 | Very low | 46 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | trans | 127.2 | 62.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | T124 | G122-T124 PolarHBondContact O-N 3.32Š|
| 123 | E | 47.6 | Very low | 46.1 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -52.3 | 118.6 | 147.4 | 36.8 | 173 | 91.3 | 0 | 0 | 110.2 | | |
| 124 | T | 50.9 | Low | 45.8 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -131.7 | 134.3 | 167.9 | 39.3 | 0 | 0 | 0 | 0 | 111.4 | G122 | G122-T124 PolarHBondContact O-N 3.32Š|
| 125 | K | 46.8 | Very low | 45.6 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | | | trans | -90.3 | 153.9 | -156.7 | -66.7 | 164.8 | 173.1 | 168.7 | 0 | 112.4 | | |
| 126 | A | 49 | Very low | 45.5 | Very low | 91 Ų | 91 | 141.9 Ų | 141.9 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | 49.2 | 103.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 127 | S | 41.2 | Very low | 45.4 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | -99.3 | 96.4 | 148.4 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 128 | R | 45.9 | Very low | 45.5 | Very low | 229 Ų | 229 | 139 Ų | 139 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -72.6 | 120.9 | 163.8 | -74.4 | -175.7 | 171.6 | -158.1 | -2.3 | 107.6 | | |
| 129 | H | 49 | Very low | 45 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 82% | 0.819 | 82% | 0.821 | S | S | * | * | | | trans | -116.9 | 139.4 | 154 | 59.5 | -75.1 | 0 | 0 | 0 | 109 | | |
| 130 | T | 43.7 | Very low | 44.7 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | | | trans | -119 | 137.3 | -161.8 | 21.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 131 | G | 40.8 | Very low | 44.4 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 89.3 | 143.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 132 | T | 42.6 | Very low | 45 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | cis | -165.1 | 157.9 | 8 | 15.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 133 | A | 48.5 | Very low | 45.1 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -65.4 | 159.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 134 | G | 43.8 | Very low | 45.1 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -178.8 | 93.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 135 | E | 45.8 | Very low | 45 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -70.7 | 164 | 168.7 | -133.7 | 138.1 | 83 | 0 | 0 | 110.4 | | |
| 136 | D | 41 | Very low | 45.2 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | 100.7 | 93.7 | 166.1 | -94 | -82.1 | 0 | 0 | 0 | 121.2 | | |
| 137 | T | 44.9 | Very low | 45.2 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | | 71.2 | 103.8 | 120 | 56.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 138 | G | 43.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | | 94.7 | 117.3 | 99.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 139 | S | 38.6 | Very low | 45.4 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | 156.3 | 130.2 | 144.8 | -88.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 140 | T | 43.4 | Very low | 45.6 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | cis | -168.3 | 146 | 16.3 | -32.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 141 | G | 42.8 | Very low | 46.1 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | | | trans | 73.6 | 104.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 142 | K | 52 | Low | 46.3 | Very low | 206 Ų | 206 | 133.3 Ų | 133.3 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | | 51.6 | 119 | 82.4 | -60.7 | -157.1 | 171.9 | -163.9 | 0 | 112.8 | | |
| 143 | D | 45.3 | Very low | 46.6 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | | | | -166.5 | 159 | 76.2 | -157.4 | 64.4 | 0 | 0 | 0 | 112.1 | | |
| 144 | E | 48.5 | Very low | 46.8 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -117.1 | 104.2 | -162.9 | 167 | 171.5 | 106.4 | 0 | 0 | 109.2 | | |
| 145 | E | 47.2 | Very low | 47.4 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -148.1 | 116.8 | 171.9 | -58.9 | -166.4 | 134.9 | 0 | 0 | 112.7 | | |
| 146 | H | 51.4 | Low | 47.4 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -80.9 | 140.6 | 173.1 | -79.1 | -101 | 0 | 0 | 0 | 112 | | |
| 147 | Q | 49.7 | Very low | 48.1 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | 83.4 | 134.5 | 149.8 | -44.2 | -139.1 | -81.1 | 0 | 0 | 121.7 | | |
| 148 | S | 50.1 | Low | 48.6 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | 98.8 | 126.8 | 142 | -45.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 149 | G | 42.2 | Very low | 49.3 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | 149.5 | 102.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 150 | A | 53.1 | Low | 50.2 | Low | 106 Ų | 106 | 145.4 Ų | 145.4 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | | | trans | -73.7 | 159.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 151 | A | 52.7 | Low | 50.8 | Low | 91 Ų | 91 | 150 Ų | 150 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | trans | -160.2 | 115.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 152 | E | 46.5 | Very low | 51.6 | Low | 167 Ų | 167 | 155.4 Ų | 155.4 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | | 35.4 | 126.1 | 90.4 | -103.2 | 159.9 | 88.1 | 0 | 0 | 111.3 | | |
| 153 | E | 48.4 | Very low | 51.3 | Low | 158 Ų | 158 | 152.3 Ų | 152.3 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | | 179.5 | 139.5 | 50.5 | 34.6 | -175 | 120 | 0 | 0 | 113 | | |
| 154 | F | 51.4 | Low | 51.8 | Low | 170 Ų | 170 | 154 Ų | 154 | 75% | 0.746 | 84% | 0.842 | S | S | * | * | | | trans | 65.3 | 141.7 | 132.1 | -71.6 | -75 | 0 | 0 | 0 | 127.2 | | |
| 155 | R | 57.4 | Low | 52 | Low | 219 Ų | 219 | 153.1 Ų | 153.1 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | | | trans | 87.8 | 141.2 | 153.2 | -42.6 | -161.1 | -157.3 | -129.4 | 0.5 | 117.4 | | |
| 156 | E | 46.7 | Very low | 52.2 | Low | 148 Ų | 148 | 151.8 Ų | 151.8 | 69% | 0.692 | 84% | 0.844 | S | S | * | * | | | cis | -179.9 | 145.5 | -7.2 | 166.9 | 177 | 171.1 | 0 | 0 | 104.9 | | |
| 157 | S | 54 | Low | 52.3 | Low | 125 Ų | 125 | 150.5 Ų | 150.5 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | | | trans | -173.9 | 124.7 | 141.2 | -81.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 158 | V | 55.9 | Low | 52.4 | Low | 113 Ų | 113 | 149 Ų | 149 | 69% | 0.685 | 85% | 0.847 | S | S | * | * | | | trans | -81.4 | 145 | -179.4 | -152.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 159 | S | 58.1 | Low | 52.6 | Low | 126 Ų | 126 | 150.8 Ų | 150.8 | 88% | 0.881 | 85% | 0.848 | S | S | * | * | | | trans | -139 | 103.5 | 156.6 | -147.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 160 | Q | 57.9 | Low | 53.3 | Low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | | | trans | -73 | 136.8 | 170.7 | -69.8 | 174.6 | -35.6 | 0 | 0 | 110.3 | | |
| 161 | R | 55.7 | Low | 53.3 | Low | 234 Ų | 234 | 158.9 Ų | 158.9 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | | | trans | -162.8 | 97.7 | 146.4 | -120.8 | 175 | -173.3 | 150.7 | 4.4 | 108.7 | | |
| 162 | E | 59.1 | Low | 53.3 | Low | 178 Ų | 178 | 164.1 Ų | 164.1 | 83% | 0.832 | 85% | 0.853 | S | S | * | * | | | | 93.3 | 102.2 | 87.6 | -165.2 | 173 | 106.3 | 0 | 0 | 109.8 | | |
| 163 | T | 46 | Very low | 53.9 | Low | 140 Ų | 140 | 163.8 Ų | 163.8 | 86% | 0.859 | 86% | 0.859 | S | S | * | * | | | trans | -70.9 | 133.3 | 168.2 | 42.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 164 | A | 56.4 | Low | 54.4 | Low | 176 Ų | 176 | 164.4 Ų | 164.4 | 100% | 1.455 | 87% | 0.87 | S | S | * | * | | | trans | -116.8 | 0 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |