| 1 | M | 39.8 | Very low | 44.5 | Very low | 227 Ų | 227 | 150.3 Ų | 150.3 | 100% | 1.118 | 72% | 0.717 | S | S | * | * | | | | 0 | 127 | 0 | -76.1 | 178.7 | 174.7 | 0 | 0 | 106.9 | | |
| 2 | L | 42.5 | Very low | 44.4 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | | | | 63.4 | 110.3 | 110.7 | -60.5 | 169.6 | 0 | 0 | 0 | 112.5 | | |
| 3 | Q | 45.9 | Very low | 45.4 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | | | | 97.8 | 142.1 | 80.6 | -174.8 | 176.1 | 49.5 | 0 | 0 | 110 | | |
| 4 | G | 47.8 | Very low | 45.2 | Very low | 60 Ų | 60 | 146.8 Ų | 146.8 | 62% | 0.619 | 74% | 0.738 | S | S | * | * | | | cis | -113.2 | -160.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 5 | Q | 47.5 | Very low | 44.8 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | cis | 59.3 | 125.6 | 37.8 | -117.5 | -175.4 | 81.6 | 0 | 0 | 110.6 | M7 | Q5-M7 HydrophobicContact CG-CE 4.14Š|
| 6 | E | 49.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 58% | 0.575 | 75% | 0.745 | S | S | * | * | | | cis | -132.2 | 144 | 22.3 | -76.7 | -171.6 | 112.3 | 0 | 0 | 111.3 | K8 | E6-K8 WeakPolarHBondContact OE1-CE 2.99Å; E6-K8 IonicContact OE1-NZ 2.69Å; E6-K8 PolarHBondContact OE1-NZ 2.69Å; E6-K8 IonicContact OE2-NZ 2.63Å; E6-K8 PolarHBondContact OE2-NZ 2.63Å |
| 7 | M | 42 | Very low | 44 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | | | | 69.1 | 122.7 | 53.9 | -168.4 | -151.9 | -62.4 | 0 | 0 | 112.9 | Q5 | Q5-M7 HydrophobicContact CG-CE 4.14Š|
| 8 | K | 47.8 | Very low | 43.8 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 50% | 0.496 | 75% | 0.745 | S | S | . | * | | | | 171 | 112.4 | 122.8 | -86.5 | 146.6 | -164.5 | 165.7 | 0 | 114.3 | E6 | E6-K8 WeakPolarHBondContact OE1-CE 2.99Å; E6-K8 IonicContact OE1-NZ 2.69Å; E6-K8 PolarHBondContact OE1-NZ 2.69Å; E6-K8 IonicContact OE2-NZ 2.63Å; E6-K8 PolarHBondContact OE2-NZ 2.63Å |
| 9 | R | 44.1 | Very low | 43.5 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 68% | 0.683 | 75% | 0.747 | S | S | * | * | | | | 43.5 | 133.9 | 128.4 | -48.2 | 171.7 | -64 | -163.5 | -3.8 | 118 | | |
| 10 | R | 42.8 | Very low | 43.1 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | | | | 171.1 | 147.9 | 85.4 | -90.4 | -172.1 | -161.4 | -100.3 | 5.6 | 108.7 | | |
| 11 | M | 39.6 | Very low | 42.9 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | cis | -145.5 | 156.1 | -12.7 | -65.7 | -158.9 | 50.6 | 0 | 0 | 109.9 | | |
| 12 | S | 43 | Very low | 43 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | -91 | 168.2 | 158.8 | -40 | 0 | 0 | 0 | 0 | 110.9 | | |
| 13 | P | 58.2 | Low | 43 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -141.5 | 132 | 136.4 | 34 | -18.3 | 0 | 0 | 0 | 115.3 | | |
| 14 | L | 42.1 | Very low | 43.2 | Very low | 180 Ų | 180 | 126 Ų | 126 | 94% | 0.942 | 74% | 0.735 | S | S | * | * | | | trans | 63.9 | 141.7 | 149.2 | -52.9 | 166.4 | 0 | 0 | 0 | 119.1 | | |
| 15 | G | 39.5 | Very low | 43.1 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | cis | 137.3 | 132.1 | -16 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 16 | A | 38 | Very low | 42.8 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 88% | 0.884 | 74% | 0.741 | S | S | * | * | | | trans | 75.2 | 152.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 17 | S | 38.5 | Very low | 42.4 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | | | cis | -172.8 | 179.5 | -25.7 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 18 | F | 39.2 | Very low | 42.3 | Very low | 204 Ų | 204 | 124.1 Ų | 124.1 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | | | trans | 68.1 | 149.3 | 176.1 | -39.8 | -74.9 | 0 | 0 | 0 | 115 | | |
| 19 | G | 37.8 | Very low | 41.9 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | cis | 165.5 | 170.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 20 | S | 37.1 | Very low | 41.7 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | cis | 167.5 | 96.5 | -8.6 | 163.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 21 | G | 38.5 | Very low | 41.6 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | | | trans | 72.4 | 171.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 22 | H | 41.4 | Very low | 41.4 | Very low | 187 Ų | 187 | 114.9 Ų | 114.9 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | cis | -150.2 | -176.5 | -7.9 | -73 | 115.1 | 0 | 0 | 0 | 106.8 | | |
| 23 | S | 42.6 | Very low | 41 | Very low | 118 Ų | 118 | 113.9 Ų | 113.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | cis | -156.5 | 175.2 | 19.5 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 24 | S | 50.3 | Low | 40.8 | Very low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -110.7 | -164.4 | -170.6 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 25 | D | 45.7 | Very low | 40.3 | Very low | 150 Ų | 150 | 111.5 Ų | 111.5 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | 88.2 | 140.9 | 171.1 | -69.3 | -27.9 | 0 | 0 | 0 | 117.9 | | |
| 26 | S | 41.2 | Very low | 40.1 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | cis | -169.5 | 167.1 | -11.2 | 53.3 | 0 | 0 | 0 | 0 | 113 | | |
| 27 | A | 41.9 | Very low | 40 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | | | trans | 70.9 | 150.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 28 | A | 38.5 | Very low | 39.9 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | | | cis | -171 | 145.2 | -15.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 29 | M | 39 | Very low | 39.5 | Very low | 186 Ų | 186 | 109.2 Ų | 109.2 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | | | trans | 54 | 161 | 148.8 | -56.8 | -63.1 | -173.2 | 0 | 0 | 121.3 | | |
| 30 | A | 40.1 | Very low | 39.4 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | | | cis | 172.1 | 139.9 | -44.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 31 | S | 42.2 | Very low | 38.9 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | | | trans | 64.3 | 141.4 | 162.2 | 71 | 0 | 0 | 0 | 0 | 120.3 | | |
| 32 | G | 33.7 | Very low | 39.2 | Very low | 64 Ų | 64 | 119.6 Ų | 119.6 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | 159.3 | 89.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 33 | S | 35.3 | Very low | 38.9 | Very low | 87 Ų | 87 | 114.2 Ų | 114.2 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | | | trans | -136.7 | 143.4 | 159.2 | -73.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 34 | P | 53.6 | Low | 38.4 | Very low | 122 Ų | 122 | 116.9 Ų | 116.9 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | | | | -153.3 | 166.8 | 69.5 | 42.3 | -22.7 | 0 | 0 | 0 | 118.4 | | |
| 35 | D | 33.4 | Very low | 37.5 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | | | trans | 43.7 | 149.9 | 134.6 | -156.9 | 27.9 | 0 | 0 | 0 | 125.4 | | |
| 36 | V | 33.6 | Very low | 36.8 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | 98.2 | 124.6 | 143.7 | 114.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 37 | A | 37 | Very low | 36.5 | Very low | 63 Ų | 63 | 116 Ų | 116 | 52% | 0.521 | 70% | 0.704 | S | S | . | * | | | trans | 78.9 | 118 | 144.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 38 | T | 35.7 | Very low | 36.3 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | | | trans | 78.4 | 125.7 | 130.4 | 54 | 0 | 0 | 0 | 0 | 125.1 | | |
| 39 | N | 30.9 | Very low | 36.1 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | trans | 69.7 | 115.1 | 138.1 | -75.6 | -58.8 | 0 | 0 | 0 | 123.6 | | |
| 40 | Q | 36.5 | Very low | 36.2 | Very low | 183 Ų | 183 | 118.2 Ų | 118.2 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | | | trans | 77.7 | 150.9 | 134.8 | -67.2 | -176.9 | 47.9 | 0 | 0 | 122.7 | | |
| 41 | E | 26 | Very low | 36 | Very low | 182 Ų | 182 | 117.8 Ų | 117.8 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | | | trans | -56.4 | 174.3 | 173.3 | -96 | -174.5 | 74.5 | 0 | 0 | 116.1 | | |
| 42 | P | 44.9 | Very low | 36.7 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | | | cis | -134.7 | 172.3 | 13.4 | 41.4 | -24.7 | 0 | 0 | 0 | 117.4 | | |
| 43 | A | 34.5 | Very low | 37.3 | Very low | 75 Ų | 75 | 127 Ų | 127 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | | | trans | 37.4 | 147.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 44 | E | 32.4 | Very low | 37.9 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | | | cis | -176.6 | 154.2 | -3.7 | -109.5 | 178.9 | 106.5 | 0 | 0 | 106.7 | | |
| 45 | V | 32.4 | Very low | 37.2 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | | | cis | -148.4 | 148.4 | -19 | -128.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 46 | Q | 29.2 | Very low | 37.5 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | | | trans | -153.9 | 120.1 | 164 | -113.7 | 176.3 | -75.9 | 0 | 0 | 112.6 | N1016 | Q46-N1016 WeakPolarHBondContact CB-O 3.48Å; Q46-N1016 WeakPolarHBondContact CG-O 3.42Å; Q46-N1016 PolarHBondContact NE2-O 2.6Å |
| 47 | E | 36.5 | Very low | 38.3 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 34% | 0.341 | 74% | 0.735 | S | S | . | * | S | Bend | trans | 51.5 | 141.9 | 177 | -130.3 | 156.3 | -121.3 | 0 | 0 | 122.7 | G1015 N1016 K1017 | E47-G1015 VanDerWaalsContact CA-O 3.28Å; E47-G1015 WeakPolarHBondContact CA-O 3.49Å; E47-G1015 WeakPolarHBondContact CB-O 3.17Å; E47-G1015 WeakPolarHBondContact CG-O 3.36Å; E47-G1015 PolarHBondContact N-O 2.76Å; E47-N1016 VanDerWaalsContact CD-CA 3.5Å; E47-N1016 WeakPolarHBondContact OE1-CA 3.31Å; E47-K1017 VanDerWaalsContact OE2-CE 3.25Å; E47-K1017 WeakPolarHBondContact OE2-CE 3.49Å; E47-K1017 WeakPolarHBondContact OE2-CG 3.44Å; E47-K1017 PolarHBondContact OE2-N 2.61Å |
| 48 | D | 37.3 | Very low | 39.2 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | | | trans | -62.2 | 128.2 | -163.9 | -64.9 | -99.2 | 0 | 0 | 0 | 117.1 | | |
| 49 | C | 33.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | | | trans | -105.3 | 120.9 | 170.8 | -78.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 50 | S | 41.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | trans | 22.6 | 121.3 | 139 | 168.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 51 | G | 35.2 | Very low | 41.7 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | | | trans | -158.9 | 74.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | K53 | G51-K53 PolarHBondContact O-N 3.36Š|
| 52 | K | 56.6 | Low | 43.4 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 75% | 0.745 | S | S | * | * | | | trans | -55.6 | 124 | 160.3 | -70.4 | 176.9 | 178.3 | 175 | 0 | 110 | | |
| 53 | K | 46.9 | Very low | 43.6 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | trans | -154.3 | 111.8 | 172.1 | -105.8 | 154.4 | -169.4 | 167.6 | 0 | 114.9 | G51 | G51-K53 PolarHBondContact O-N 3.36Š|
| 54 | K | 46.8 | Very low | 44.5 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | | | trans | 17.6 | 129 | 139.3 | 73.6 | -160.3 | -177.1 | 177.8 | 0 | 119.9 | | |
| 55 | S | 39.6 | Very low | 44.8 | Very low | 106 Ų | 106 | 147.9 Ų | 147.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -158.5 | 135.7 | 139.1 | -140.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 56 | K | 40.3 | Very low | 45.7 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | | | cis | 64.9 | 104.3 | 37.8 | -151.5 | 172.8 | -174.2 | 177.8 | 0 | 108.5 | | |
| 57 | F | 50.8 | Low | 46.5 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | | -125 | 137.2 | 55.7 | -70.3 | -91.3 | 0 | 0 | 0 | 111.6 | | |
| 58 | Q | 55.1 | Low | 47.2 | Very low | 140 Ų | 140 | 161 Ų | 161 | 65% | 0.654 | 80% | 0.799 | S | S | * | * | | | | 84.3 | 117.1 | 61.9 | -173.2 | 178.1 | 83.1 | 0 | 0 | 113.1 | | |
| 59 | T | 44.8 | Very low | 47.2 | Very low | 118 Ų | 118 | 164.9 Ų | 164.9 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -66.7 | 129.8 | 179.5 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | K61 | T59-K61 PolarHBondContact O-N 2.72Š|
| 60 | F | 52.3 | Low | 47.1 | Very low | 199 Ų | 199 | 166.2 Ų | 166.2 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | | | trans | -76.2 | 38.6 | 177 | -61.5 | -79.3 | 0 | 0 | 0 | 114.8 | K62 | F60-K62 PolarHBondContact O-N 3.01Š|
| 61 | K | 58.3 | Low | 46.6 | Very low | 189 Ų | 189 | 165.9 Ų | 165.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 72.8 | 168.1 | -79.7 | -173.9 | 67.4 | 167.8 | 0 | 110.7 | T59 | T59-K61 PolarHBondContact O-N 2.72Š|
| 62 | K | 61.4 | Low | 46.6 | Very low | 182 Ų | 182 | 168.7 Ų | 168.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | 179.7 | 95.3 | 157.7 | -106.2 | 168.2 | 63.9 | 177.6 | 0 | 112.2 | F60 | F60-K62 PolarHBondContact O-N 3.01Š|
| 63 | L | 50.4 | Low | 45.1 | Very low | 160 Ų | 160 | 165.4 Ų | 165.4 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -132.7 | -25.2 | 160.1 | -79.8 | 178.6 | 0 | 0 | 0 | 114.3 | | |
| 64 | F | 52.7 | Low | 44.2 | Very low | 214 Ų | 214 | 164.5 Ų | 164.5 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -109.6 | 77.8 | 176.8 | -66.6 | -74.3 | 0 | 0 | 0 | 112.7 | | |
| 65 | A | 38 | Very low | 43.3 | Very low | 82 Ų | 82 | 160.3 Ų | 160.3 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -149 | 94.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 66 | R | 51.8 | Low | 42.9 | Very low | 226 Ų | 226 | 158.5 Ų | 158.5 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -10.6 | 124.3 | 172.8 | -92 | 146.4 | 56.4 | 147.2 | -13.4 | 117.9 | | |
| 67 | K | 45 | Very low | 42.6 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | | | trans | -104.2 | 107.7 | 159.3 | -175.5 | 177.4 | 69.1 | -177.8 | 0 | 110.3 | | |
| 68 | K | 52.4 | Low | 41.5 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | -83.6 | 144.8 | 172.7 | -79.2 | -142.5 | -179.5 | -172.3 | 0 | 112.5 | | |
| 69 | R | 36.8 | Very low | 40.4 | Very low | 243 Ų | 243 | 159.4 Ų | 159.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | 159.7 | 134 | 159.3 | 178.5 | -176.2 | -57.6 | -176.1 | 2 | 108.6 | | |
| 70 | K | 32.2 | Very low | 39.8 | Very low | 154 Ų | 154 | 157 Ų | 157 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | cis | -163.9 | 150.4 | -7.2 | 159.5 | 70.6 | -176.4 | 172.5 | 0 | 109.4 | | |
| 71 | E | 30.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 55% | 0.547 | 79% | 0.791 | S | S | . | * | | | trans | -39 | 162.8 | 170.5 | -67.9 | 157.7 | 82.8 | 0 | 0 | 118.2 | Q73 | E71-Q73 HydrophobicContact CB-CG 4.27Å; E71-Q73 WeakPolarHBondContact OE1-CG 2.76Å |
| 72 | P | 34.8 | Very low | 38.1 | Very low | 125 Ų | 125 | 156.9 Ų | 156.9 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | | -111.2 | 142.5 | 66.4 | 35.8 | -33.1 | 0 | 0 | 0 | 113.9 | | |
| 73 | Q | 26.8 | Very low | 36.6 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | cis | 87.9 | 95.6 | 49.2 | -78.4 | -157.5 | -94 | 0 | 0 | 116.4 | E71 | E71-Q73 HydrophobicContact CB-CG 4.27Å; E71-Q73 WeakPolarHBondContact OE1-CG 2.76Å |
| 74 | N | 26.3 | Very low | 35.8 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | | -175.6 | 123.2 | 126.3 | -90.9 | -17.5 | 0 | 0 | 0 | 107.5 | | |
| 75 | A | 28.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | | 79.8 | 115.6 | 64.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 76 | G | 31.5 | Very low | 34.5 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | cis | 165 | -162.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 77 | V | 32.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 72.7 | 115 | 178.6 | -158.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 78 | E | 28.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | cis | 75.2 | 159.4 | 47.6 | -80.3 | -78.2 | -164.5 | 0 | 0 | 116.3 | | |
| 79 | E | 32.6 | Very low | 32.4 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | trans | 83.2 | 96.8 | 159.4 | -162 | 157.7 | -134.4 | 0 | 0 | 120.6 | | |
| 80 | G | 32 | Very low | 32.5 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | trans | 94.6 | 163.1 | 146.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 81 | L | 40.2 | Very low | 32.6 | Very low | 173 Ų | 173 | 127.1 Ų | 127.1 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | cis | -142.8 | 158.2 | -2.5 | -72.2 | 173.9 | 0 | 0 | 0 | 110.6 | | |
| 82 | K | 33.8 | Very low | 32.7 | Very low | 213 Ų | 213 | 130.3 Ų | 130.3 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | | | trans | -85.2 | 126 | 165.1 | -80.5 | -167.7 | 174.4 | -169.8 | 0 | 110.8 | | |
| 83 | G | 30.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | 73.6 | 113.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 84 | S | 32.8 | Very low | 33.2 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -163.6 | 132.8 | 137.6 | -74.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 85 | Q | 32 | Very low | 33.8 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | | | cis | 90.6 | 121.2 | 35.9 | -167.1 | -162.2 | 6.3 | 0 | 0 | 113 | | |
| 86 | S | 30.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | 72.3 | 151.5 | 162.1 | 81.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 87 | S | 38.3 | Very low | 34.1 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | cis | -173.4 | 163 | -8 | -114.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 88 | D | 35.4 | Very low | 34 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | | | trans | 40.4 | 143.1 | 135.2 | -63.3 | -111.9 | 0 | 0 | 0 | 121.4 | | |
| 89 | N | 33.2 | Very low | 34.1 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | cis | -174.4 | 158.7 | 17.3 | -128.7 | -29.3 | 0 | 0 | 0 | 117.5 | | |
| 90 | V | 37 | Very low | 34.2 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | trans | 47.2 | 138.7 | 155.4 | -145 | 0 | 0 | 0 | 0 | 124.8 | | |
| 91 | S | 34.7 | Very low | 34.1 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | trans | 86.2 | 136 | 145.8 | 41.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 92 | K | 33.8 | Very low | 33.8 | Very low | 183 Ų | 183 | 130 Ų | 130 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | | | cis | -163.1 | 146.3 | 14.2 | -126.3 | 166.8 | -173.1 | 176.8 | 0 | 113.3 | | |
| 93 | T | 38.9 | Very low | 33.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | | | trans | 57.8 | 140.6 | 155.2 | 45.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 94 | S | 32 | Very low | 33.8 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | | | cis | -163 | 124.9 | -2.9 | 53.7 | 0 | 0 | 0 | 0 | 109 | | |
| 95 | E | 38.6 | Very low | 33.8 | Very low | 154 Ų | 154 | 131 Ų | 131 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | | | | 79.6 | 144.7 | 95 | 94.7 | -178.2 | 73.8 | 0 | 0 | 116.1 | | |
| 96 | N | 35.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | | | cis | -112.2 | -106.6 | -2.1 | -75.5 | -74.6 | 0 | 0 | 0 | 112.9 | | |
| 97 | N | 32 | Very low | 34.5 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | cis | -161 | 127.1 | -3.4 | 179.7 | 68.8 | 0 | 0 | 0 | 114.4 | | |
| 98 | T | 30 | Very low | 34.3 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | | | trans | 25.1 | 128.5 | 135.3 | -36.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 99 | L | 31.5 | Very low | 34.2 | Very low | 161 Ų | 161 | 128.7 Ų | 128.7 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | | | cis | -151.1 | 170.1 | 3.4 | -164 | 60.9 | 0 | 0 | 0 | 111.6 | | |
| 100 | T | 34.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | -119.4 | 157.4 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 114 | | |
| 101 | R | 29.7 | Very low | 34.8 | Very low | 211 Ų | 211 | 132.4 Ų | 132.4 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | | | trans | 167.3 | 169.6 | 148.1 | -93.6 | -161.7 | 91.5 | -173.4 | 4.3 | 109.3 | E103 | R101-E103 IonicContact CZ-OE2 2.72Å; R101-E103 IonicContact NH2-OE2 3.07Å; R101-E103 PolarHBondContact NH2-OE2 3.31Å |
| 102 | S | 34.3 | Very low | 34.8 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 49% | 0.49 | 72% | 0.724 | S | S | . | * | | | | 167.8 | 153.9 | -51.6 | 60.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 103 | E | 30.2 | Very low | 35.1 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | | | trans | 68.8 | 166 | 163.1 | -68.2 | 178.8 | 96.7 | 0 | 0 | 117.5 | R101 | R101-E103 IonicContact CZ-OE2 2.72Å; R101-E103 IonicContact NH2-OE2 3.07Å; R101-E103 PolarHBondContact NH2-OE2 3.31Å |
| 104 | K | 34 | Very low | 35.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | cis | 179.7 | 153.9 | -31.5 | -171.7 | -162 | 179 | -154.4 | 0 | 109.1 | | |
| 105 | E | 33.2 | Very low | 35.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 55% | 0.551 | 72% | 0.722 | S | S | * | * | | | trans | 75.1 | 137.9 | 148.9 | -108.1 | -178.1 | 131.8 | 0 | 0 | 123.3 | | |
| 106 | K | 41.3 | Very low | 36 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 81% | 0.809 | 73% | 0.727 | S | S | * | * | | | trans | 64.3 | 148.1 | 157.5 | -55.3 | 178.5 | -161.4 | -178.3 | 0 | 118 | | |
| 107 | G | 35.2 | Very low | 36.5 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | cis | 158.9 | 151.5 | -10 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 108 | S | 35.2 | Very low | 37.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 94% | 0.944 | 74% | 0.738 | S | S | * | * | | | trans | 69.2 | 152.9 | -179.3 | -141.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 109 | G | 33.5 | Very low | 38.4 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | | | cis | 158 | 108.1 | -19.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 110 | S | 38.4 | Very low | 38.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | 70.5 | 165 | 168.4 | -132.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 111 | R | 44.1 | Very low | 39.9 | Very low | 201 Ų | 201 | 135.2 Ų | 135.2 | 76% | 0.758 | 75% | 0.75 | S | S | * | * | | | cis | -167.4 | 152.5 | 20.8 | -162.3 | -173.1 | 166.1 | 148 | -3.1 | 112.5 | | |
| 112 | I | 35.2 | Very low | 40.4 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | 54.9 | 167.7 | 159.1 | 58.5 | 169.6 | 0 | 0 | 0 | 118.2 | | |
| 113 | S | 39.7 | Very low | 41.1 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | -139.1 | 161.2 | 1.1 | -37.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 114 | L | 46.5 | Very low | 41.8 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | trans | -76.9 | 146.1 | 169.4 | -66.8 | 81.4 | 0 | 0 | 0 | 111.8 | | |
| 115 | G | 39.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | trans | -143.5 | 48.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K117 | G115-K117 PolarHBondContact O-N 2.58Š|
| 116 | N | 43.1 | Very low | 42 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | trans | -39.4 | 119.9 | -175.3 | -67 | -18.3 | 0 | 0 | 0 | 115 | | |
| 117 | K | 46.5 | Very low | 42.1 | Very low | 182 Ų | 182 | 131.4 Ų | 131.4 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -151.3 | 132.2 | 153.2 | 24.8 | -173 | 171.9 | -65.7 | 0 | 109.4 | G115 | G115-K117 PolarHBondContact O-N 2.58Š|
| 118 | A | 54.9 | Low | 41.9 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -99.6 | 120.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 119 | L | 45.3 | Very low | 42.3 | Very low | 158 Ų | 158 | 134 Ų | 134 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -113.7 | 151.6 | 162.7 | -97.7 | 81 | 0 | 0 | 0 | 110 | | |
| 120 | S | 43 | Very low | 42.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -95.3 | 116.6 | -176.7 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | D122 | S120-D122 PolarHBondContact O-N 3.27Š|
| 121 | H | 55.9 | Low | 42.9 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | trans | -77.6 | 109.9 | 158.2 | -66 | -86.9 | 0 | 0 | 0 | 108.4 | | |
| 122 | D | 39.7 | Very low | 42.6 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -80.9 | 161.9 | 155.6 | -148.9 | -21.1 | 0 | 0 | 0 | 108.9 | S120 | S120-D122 PolarHBondContact O-N 3.27Š|
| 123 | S | 49.3 | Very low | 42.6 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | | | trans | -97.3 | 125.5 | -161.4 | -175.7 | 0 | 0 | 0 | 0 | 113 | F125 | S123-F125 WeakPolarHBondContact OG-CE2 3.41Š|
| 124 | V | 44.4 | Very low | 42.9 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | | | trans | -105.7 | 131.1 | 154.4 | -69.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 125 | F | 40.8 | Very low | 42.5 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | | | trans | -97.2 | 127.4 | 168.8 | -81.7 | -105.1 | 0 | 0 | 0 | 107.8 | S123 | S123-F125 WeakPolarHBondContact OG-CE2 3.41Š|
| 126 | V | 31.4 | Very low | 42.8 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -107.8 | 122.6 | 152.6 | -178.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 127 | S | 43.2 | Very low | 42.7 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | -94.1 | 107.6 | 169.4 | -64 | 0 | 0 | 0 | 0 | 107.4 | | |
| 128 | D | 31.8 | Very low | 42.6 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -92 | 152.3 | 168 | -147 | -22.7 | 0 | 0 | 0 | 110.1 | | |
| 129 | S | 41.5 | Very low | 42.2 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -154 | 105.9 | -176.5 | -72.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 130 | S | 39.9 | Very low | 42.2 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -122.4 | 134.4 | 170.7 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 131 | E | 44.9 | Very low | 42.6 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | -136 | 119.7 | -179 | 170.1 | -174 | 86.5 | 0 | 0 | 105.4 | | |
| 132 | A | 37.5 | Very low | 42.8 | Very low | 80 Ų | 80 | 118.2 Ų | 118.2 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | | | trans | -175.7 | 119.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E982 | A132-E982 WeakPolarHBondContact CA-OE1 3.49Å; A132-E982 VanDerWaalsContact N-CD 3.3Å; A132-E982 PolarHBondContact N-OE1 2.59Å; A132-E982 VanDerWaalsContact N-OE1 3.13Å; A132-E982 PolarHBondContact N-OE2 3.47Å |
| 133 | N | 36.1 | Very low | 44.2 | Very low | 121 Ų | 121 | 116.9 Ų | 116.9 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | | | trans | 76.2 | 99.2 | 158.4 | -179 | 94.8 | 0 | 0 | 0 | 116.8 | E982 | N133-E982 VanDerWaalsContact N-CD 3.28Å; N133-E982 PolarHBondContact N-OE1 2.86Å |
| 134 | E | 45.3 | Very low | 45.5 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 50% | 0.495 | 71% | 0.712 | S | S | . | * | | | | 85.3 | 113.1 | 62.5 | -70.4 | -164.9 | 153.8 | 0 | 0 | 114.9 | E984 | E134-E984 CarbonylContact C-O 3.6Š|
| 135 | G | 39.2 | Very low | 47.5 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 57% | 0.567 | 69% | 0.689 | S | S | * | * | | | trans | -178.5 | 55.5 | -175 | 0 | 0 | 0 | 0 | 0 | 119.6 | S983 E984 | G135-S983 CarbonylContact C-O 3.52Å; G135-S983 PolarHBondContact N-O 3.05Å; G135-E984 CarbonylContact C-O 3.57Å; G135-E984 WeakPolarHBondContact CA-O 3.41Å; G135-E984 PolarHBondContact N-O 3.46Å |
| 136 | L | 45.3 | Very low | 49.7 | Very low | 138 Ų | 138 | 111.1 Ų | 111.1 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | | | trans | 80.7 | 68.1 | 160.2 | -65.4 | 160.2 | 0 | 0 | 0 | 121.5 | S983 E984 | L136-S983 PolarHBondContact N-O 2.81Å; L136-S983 VanDerWaalsContact N-O 3.08Å; L136-E984 PolarHBondContact N-O 2.96Å |
| 137 | G | 41.6 | Very low | 52.5 | Low | 63 Ų | 63 | 108.1 Ų | 108.1 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | | | | 25.5 | 107.5 | 128.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | S983 | G137-S983 PolarHBondContact N-O 3.26Š|
| 138 | A | 42.8 | Very low | 54.7 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -154 | 141.7 | 134.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 139 | S | 48.3 | Very low | 57.5 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 83% | 0.825 | 64% | 0.637 | S | S | * | * | | | trans | 61.9 | 42.6 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 117.4 | D141 | S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 PolarHBondContact O-N 2.68Å |
| 140 | Q | 44.2 | Very low | 59.9 | Low | 183 Ų | 183 | 106.4 Ų | 106.4 | 86% | 0.855 | 63% | 0.627 | S | S | * | * | | | trans | -66.7 | 94 | 163.1 | -162 | -164.5 | 59 | 0 | 0 | 110.1 | S142 | Q140-S142 PolarHBondContact O-N 2.91Š|
| 141 | D | 51.2 | Low | 62.3 | Low | 106 Ų | 106 | 106.1 Ų | 106.1 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | | | trans | -83.4 | 77.2 | -161.3 | -156.4 | -10.1 | 0 | 0 | 0 | 111.7 | S139 I143 K146 | S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 PolarHBondContact O-N 2.68Å; D141-I143 PolarHBondContact O-N 3.3Å; D141-I143 VanDerWaalsContact O-N 3.1Å; D141-K146 WeakPolarHBondContact OD1-CE 3.07Å; D141-K146 IonicContact OD1-NZ 3.31Å; D141-K146 PolarHBondContact OD1-NZ 2.8Å; D141-K146 WeakPolarHBondContact OD2-CE 3.19Å; D141-K146 IonicContact OD2-NZ 2.58Å; D141-K146 PolarHBondContact OD2-NZ 2.85Å |
| 142 | S | 60.3 | Low | 64.5 | Low | 65 Ų | 65 | 102.4 Ų | 102.4 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | | | trans | -32.5 | 106.5 | -166.7 | -173.9 | 0 | 0 | 0 | 0 | 114.5 | Q140 H144 G145 K146 | Q140-S142 PolarHBondContact O-N 2.91Å; S142-H144 PolarHBondContact O-N 3.29Å; S142-G145 CarbonylContact O-C 2.92Å; S142-G145 WeakPolarHBondContact O-CA 2.97Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-G145 PolarHBondContact OG-N 3.31Å; S142-K146 PolarHBondContact O-N 3.31Å |
| 143 | I | 70 | Confident | 67.1 | Low | 131 Ų | 131 | 104.3 Ų | 104.3 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.6 | -40.4 | 179.8 | -53.9 | 173.3 | 0 | 0 | 0 | 110 | D141 G145 K146 V147 | D141-I143 PolarHBondContact O-N 3.3Å; D141-I143 VanDerWaalsContact O-N 3.1Å; I143-G145 PolarHBondContact O-N 2.84Å; I143-K146 PolarHBondContact O-N 3.44Å; I143-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.42Å; I143-V147 PolarHBondContact O-N 3.27Å |
| 144 | H | 75.5 | Confident | 69.7 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 64% | 0.644 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -37.2 | 173.6 | -69.1 | 105.5 | 0 | 0 | 0 | 113.2 | S142 K148 | S142-H144 PolarHBondContact O-N 3.29Å; H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.19Å; H144-K148 WeakPolarHBondContact O-CD 3.25Å; H144-K148 WeakPolarHBondContact O-CG 3.07Å; H144-K148 PolarHBondContact O-N 3.46Å |
| 145 | G | 87.3 | Confident | 71.5 | Confident | 35 Ų | 35 | 105.3 Ų | 105.3 | 36% | 0.361 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.6 | -46.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S142 I143 K148 S149 | S142-G145 CarbonylContact O-C 2.92Å; S142-G145 WeakPolarHBondContact O-CA 2.97Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-G145 PolarHBondContact OG-N 3.31Å; I143-G145 PolarHBondContact O-N 2.84Å; G145-K148 PolarHBondContact O-N 3.14Å; G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.3Å; G145-S149 PolarHBondContact O-N 2.99Å |
| 146 | K | 85.8 | Confident | 73.5 | Confident | 107 Ų | 107 | 108.8 Ų | 108.8 | 47% | 0.465 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.1 | -44.2 | 175.4 | -73.9 | 177 | 174.3 | 167.4 | 0 | 112.7 | D141 S142 I143 S149 L150 | D141-K146 WeakPolarHBondContact OD1-CE 3.07Å; D141-K146 IonicContact OD1-NZ 3.31Å; D141-K146 PolarHBondContact OD1-NZ 2.8Å; D141-K146 WeakPolarHBondContact OD2-CE 3.19Å; D141-K146 IonicContact OD2-NZ 2.58Å; D141-K146 PolarHBondContact OD2-NZ 2.85Å; S142-K146 PolarHBondContact O-N 3.31Å; I143-K146 PolarHBondContact O-N 3.44Å; K146-S149 PolarHBondContact O-N 3.37Å; K146-L150 VanDerWaalsContact O-CB 3.29Å; K146-L150 WeakPolarHBondContact O-CB 3.27Å; K146-L150 PolarHBondContact O-N 3.41Å |
| 147 | V | 91.9 | Very high | 74.6 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.7 | -41.9 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | I143 L150 Q151 | I143-V147 HydrophobicContact CG2-CG2 4.44Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.31Å; I143-V147 WeakPolarHBondContact O-CG2 3.42Å; I143-V147 PolarHBondContact O-N 3.27Å; V147-L150 PolarHBondContact O-N 3.4Å; V147-Q151 WeakPolarHBondContact O-CB 3.09Å; V147-Q151 WeakPolarHBondContact O-CG 3.32Å; V147-Q151 PolarHBondContact O-N 3.18Å |
| 148 | K | 89 | Confident | 76 | Confident | 146 Ų | 146 | 107.7 Ų | 107.7 | 64% | 0.635 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.5 | -40.8 | 174.6 | -74.4 | 169.8 | -177.5 | 174.8 | 0 | 111.9 | H144 G145 Q151 L152 | H144-K148 VanDerWaalsContact O-CB 3.3Å; H144-K148 WeakPolarHBondContact O-CB 3.19Å; H144-K148 WeakPolarHBondContact O-CD 3.25Å; H144-K148 WeakPolarHBondContact O-CG 3.07Å; H144-K148 PolarHBondContact O-N 3.46Å; G145-K148 PolarHBondContact O-N 3.14Å; K148-Q151 PolarHBondContact O-N 2.91Å; K148-L152 WeakPolarHBondContact O-CB 3.47Å; K148-L152 PolarHBondContact O-N 3Å |
| 149 | S | 89.8 | Confident | 76.7 | Confident | 74 Ų | 74 | 113 Ų | 113 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.9 | -46.8 | 173.8 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | G145 K146 Q151 L152 Q153 | G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.3Å; G145-S149 PolarHBondContact O-N 2.99Å; K146-S149 PolarHBondContact O-N 3.37Å; S149-Q151 PolarHBondContact O-N 3.03Å; S149-L152 PolarHBondContact O-N 2.89Å; S149-Q153 VanDerWaalsContact O-CB 3.29Å; S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 3.33Å |
| 150 | L | 91.3 | Very high | 77.2 | Confident | 110 Ų | 110 | 114.7 Ų | 114.7 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.4 | -40.6 | 176.8 | -177 | 61.2 | 0 | 0 | 0 | 112.1 | K146 V147 L154 | K146-L150 VanDerWaalsContact O-CB 3.29Å; K146-L150 WeakPolarHBondContact O-CB 3.27Å; K146-L150 PolarHBondContact O-N 3.41Å; V147-L150 PolarHBondContact O-N 3.4Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.76Å |
| 151 | Q | 92.3 | Very high | 77.3 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 172.8 | -77.7 | -171 | 5.9 | 0 | 0 | 112.3 | V147 K148 S149 L154 K155 | V147-Q151 WeakPolarHBondContact O-CB 3.09Å; V147-Q151 WeakPolarHBondContact O-CG 3.32Å; V147-Q151 PolarHBondContact O-N 3.18Å; K148-Q151 PolarHBondContact O-N 2.91Å; S149-Q151 PolarHBondContact O-N 3.03Å; Q151-L154 PolarHBondContact O-N 3.33Å; Q151-K155 WeakPolarHBondContact O-CB 3.4Å; Q151-K155 VanDerWaalsContact O-CG 3.28Å; Q151-K155 WeakPolarHBondContact O-CG 3.34Å; Q151-K155 PolarHBondContact O-N 2.85Å |
| 152 | L | 90.6 | Very high | 77.3 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.2 | -44.3 | 177.1 | -177.7 | 61.3 | 0 | 0 | 0 | 111.2 | K148 S149 L154 K155 Q156 | K148-L152 WeakPolarHBondContact O-CB 3.47Å; K148-L152 PolarHBondContact O-N 3Å; S149-L152 PolarHBondContact O-N 2.89Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 3.19Å; L152-K155 PolarHBondContact O-N 3.19Å; L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 2.82Å |
| 153 | Q | 91.8 | Very high | 76.9 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.2 | -40.2 | 173.8 | -172.4 | 178.9 | 10.6 | 0 | 0 | 110.9 | S149 Q156 A157 | S149-Q153 VanDerWaalsContact O-CB 3.29Å; S149-Q153 WeakPolarHBondContact O-CB 3.33Å; S149-Q153 PolarHBondContact O-N 3.33Å; Q153-Q156 CarbonylContact O-C 3.6Å; Q153-Q156 PolarHBondContact O-N 3.25Å; Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.26Å |
| 154 | L | 90.1 | Very high | 75.7 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.3 | -38.3 | 175.4 | -165.9 | 68.3 | 0 | 0 | 0 | 111.7 | L150 Q151 L152 Q156 A157 I158 | L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 PolarHBondContact O-N 2.76Å; Q151-L154 PolarHBondContact O-N 3.33Å; L152-L154 VanDerWaalsContact C-N 3.31Å; L152-L154 PolarHBondContact O-N 3.19Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.07Å; L154-A157 PolarHBondContact O-N 2.75Å; L154-I158 HydrophobicContact CD1-CD1 3.71Å; L154-I158 HydrophobicContact CD1-CG1 3.95Å; L154-I158 HydrophobicContact CD2-CD1 4.34Å; L154-I158 HydrophobicContact CG-CD1 3.75Å; L154-I158 HydrophobicContact CG-CG1 4.15Å; L154-I158 WeakPolarHBondContact O-CA 3.28Å; L154-I158 WeakPolarHBondContact O-CB 3.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 3.11Å |
| 155 | K | 82.6 | Confident | 74.3 | Confident | 150 Ų | 150 | 109.6 Ų | 109.6 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66 | -29.1 | 171.7 | -76.1 | 170.9 | 178 | 176.4 | 0 | 113 | Q151 L152 | Q151-K155 WeakPolarHBondContact O-CB 3.4Å; Q151-K155 VanDerWaalsContact O-CG 3.28Å; Q151-K155 WeakPolarHBondContact O-CG 3.34Å; Q151-K155 PolarHBondContact O-N 2.85Å; L152-K155 PolarHBondContact O-N 3.19Å |
| 156 | Q | 81 | Confident | 72.7 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.5 | -32.3 | 175.1 | -70.5 | 179.9 | 10.9 | 0 | 0 | 113.2 | L152 Q153 L154 R159 | L152-Q156 WeakPolarHBondContact O-CG 3.48Å; L152-Q156 PolarHBondContact O-N 2.82Å; Q153-Q156 CarbonylContact O-C 3.6Å; Q153-Q156 PolarHBondContact O-N 3.25Å; L154-Q156 VanDerWaalsContact C-N 3.3Å; L154-Q156 PolarHBondContact O-N 3.07Å; Q156-R159 VanDerWaalsContact O-CG 3.29Å; Q156-R159 WeakPolarHBondContact O-CG 3.49Å |
| 157 | A | 70.3 | Confident | 70.5 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -80.2 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q153 L154 R159 | Q153-A157 WeakPolarHBondContact O-CB 3.49Å; Q153-A157 PolarHBondContact O-N 3.26Å; L154-A157 PolarHBondContact O-N 2.75Å; A157-R159 PolarHBondContact O-N 2.97Å |
| 158 | I | 69.4 | Low | 68.2 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 52% | 0.518 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | 48.3 | 163.8 | -41.1 | 178 | 0 | 0 | 0 | 109.2 | L154 L160 | L154-I158 HydrophobicContact CD1-CD1 3.71Å; L154-I158 HydrophobicContact CD1-CG1 3.95Å; L154-I158 HydrophobicContact CD2-CD1 4.34Å; L154-I158 HydrophobicContact CG-CD1 3.75Å; L154-I158 HydrophobicContact CG-CG1 4.15Å; L154-I158 WeakPolarHBondContact O-CA 3.28Å; L154-I158 WeakPolarHBondContact O-CB 3.36Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 3.11Å; I158-L160 VanDerWaalsContact C-N 3.26Å; I158-L160 HydrophobicContact CG2-CD2 4.29Å; I158-L160 PolarHBondContact O-N 3.31Å |
| 159 | R | 58.8 | Low | 66 | Low | 205 Ų | 205 | 120.5 Ų | 120.5 | 77% | 0.774 | 68% | 0.679 | S | S | * | * | | | trans | -63.3 | 100.2 | 152 | -88.2 | -177.8 | 72.6 | 162.4 | 5.2 | 106.2 | Q156 A157 G161 | Q156-R159 VanDerWaalsContact O-CG 3.29Å; Q156-R159 WeakPolarHBondContact O-CG 3.49Å; A157-R159 PolarHBondContact O-N 2.97Å; R159-G161 PolarHBondContact O-N 2.91Å |
| 160 | L | 57.8 | Low | 63.8 | Low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 69% | 0.693 | S | S | * | * | | | trans | -48.9 | 105.6 | 168.3 | -66.1 | 171.4 | 0 | 0 | 0 | 107.4 | I158 S162 | I158-L160 VanDerWaalsContact C-N 3.26Å; I158-L160 HydrophobicContact CG2-CD2 4.29Å; I158-L160 PolarHBondContact O-N 3.31Å; L160-S162 PolarHBondContact O-N 3.3Å; L160-S162 VanDerWaalsContact O-N 3.09Å |
| 161 | G | 46.8 | Very low | 61.8 | Low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 116.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | R159 | R159-G161 PolarHBondContact O-N 2.91Š|
| 162 | S | 52.1 | Low | 59.6 | Low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 126.7 | 176.3 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | L160 | L160-S162 PolarHBondContact O-N 3.3Å; L160-S162 VanDerWaalsContact O-N 3.09Å |
| 163 | P | 51.4 | Low | 56.8 | Low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.9 | -170.7 | 20.7 | -32.6 | 0 | 0 | 0 | 109.1 | S165 | P163-S165 PolarHBondContact O-N 2.81Š|
| 164 | P | 44.7 | Very low | 54.8 | Low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | | | trans | -62.6 | 111.8 | -168.7 | 23.1 | -33.3 | 0 | 0 | 0 | 109.9 | L166 | P164-L166 PolarHBondContact O-N 3.48Š|
| 165 | S | 46.7 | Very low | 52.8 | Low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -58.4 | 112.8 | 172 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | P163 M167 | P163-S165 PolarHBondContact O-N 2.81Å; S165-M167 PolarHBondContact O-N 2.78Å |
| 166 | L | 52 | Low | 50.9 | Low | 161 Ų | 161 | 133.3 Ų | 133.3 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -74.6 | 77 | -174.7 | -69.2 | 178.8 | 0 | 0 | 0 | 110.6 | P164 C168 | P164-L166 PolarHBondContact O-N 3.48Å; L166-C168 PolarHBondContact O-N 2.85Å |
| 167 | M | 40.6 | Very low | 49 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -61.7 | 132.3 | 167.6 | -62.5 | -139.8 | 74.1 | 0 | 0 | 109.7 | S165 V169 | S165-M167 PolarHBondContact O-N 2.78Å; M167-V169 PolarHBondContact O-N 2.94Å |
| 168 | C | 43.3 | Very low | 48.3 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | -70.1 | 112.2 | -170.4 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | L166 K170 | L166-C168 PolarHBondContact O-N 2.85Å; C168-K170 PolarHBondContact O-N 2.81Å |
| 169 | V | 42.1 | Very low | 47.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | | | trans | -82.9 | 101.2 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | M167 | M167-V169 PolarHBondContact O-N 2.94Š|
| 170 | K | 43.4 | Very low | 46.5 | Very low | 188 Ų | 188 | 135 Ų | 135 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | | | trans | -54.4 | 124.8 | 172.5 | 179.6 | 176.8 | 176.8 | 178.5 | 0 | 111.9 | C168 | C168-K170 PolarHBondContact O-N 2.81Š|
| 171 | K | 50.8 | Low | 46.4 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -106.1 | 147.5 | 161.9 | -72.9 | -167.6 | 69.2 | 178.8 | 0 | 110.1 | | |
| 172 | T | 44.9 | Very low | 47.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -94.5 | 130.6 | -173.2 | 48 | 0 | 0 | 0 | 0 | 112.7 | | |
| 173 | E | 33.5 | Very low | 47.6 | Very low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | 58.4 | 102.6 | 131.4 | -159.8 | 157.1 | -167.4 | 0 | 0 | 119.4 | | |
| 174 | D | 48.9 | Very low | 47.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -133.8 | 150.5 | 141.5 | -173.6 | 17.4 | 0 | 0 | 0 | 107.4 | | |
| 175 | A | 48.8 | Very low | 48.5 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -112.7 | 109.5 | -158.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 176 | G | 42.2 | Very low | 48.2 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -162.7 | 37.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 177 | A | 40.3 | Very low | 47.6 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | trans | 59.4 | 115.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 178 | T | 55.4 | Low | 47.8 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | 65.4 | 96.3 | 133.8 | 61.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 179 | S | 44.8 | Very low | 48.2 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | | -165.2 | 106.6 | 123.1 | 57 | 0 | 0 | 0 | 0 | 107.4 | | |
| 180 | E | 46.1 | Very low | 48 | Very low | 204 Ų | 204 | 132 Ų | 132 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | | | | 57.6 | 73.7 | 82.2 | -162.4 | 166.9 | 103.9 | 0 | 0 | 113.1 | | |
| 181 | D | 56.1 | Low | 47.5 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -140.8 | 126.5 | 149.2 | -171.4 | 32 | 0 | 0 | 0 | 106.4 | | |
| 182 | D | 66.1 | Low | 47.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | -95.7 | 107.9 | -157.6 | -166 | 16.7 | 0 | 0 | 0 | 112.7 | L184 | D182-L184 PolarHBondContact O-N 3.24Å; D182-L184 VanDerWaalsContact O-N 3.12Å |
| 183 | G | 58.7 | Low | 47 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -82.7 | 85.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 184 | L | 50.3 | Low | 47 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | trans | -123.5 | 114.6 | 165.5 | -75.4 | 179.9 | 0 | 0 | 0 | 113.1 | D182 C186 | D182-L184 PolarHBondContact O-N 3.24Å; D182-L184 VanDerWaalsContact O-N 3.12Å; L184-C186 PolarHBondContact O-N 2.93Å |
| 185 | P | 63.2 | Low | 46.2 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | -80.1 | 82.9 | 171.8 | 32.8 | -33.1 | 0 | 0 | 0 | 110.6 | | |
| 186 | C | 41.4 | Very low | 45.4 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | -143.9 | 138.9 | 177.7 | -72.1 | 0 | 0 | 0 | 0 | 109.7 | L184 | L184-C186 PolarHBondContact O-N 2.93Š|
| 187 | S | 39.8 | Very low | 44.9 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | cis | -156.1 | 166.8 | -13 | -80.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 188 | P | 44 | Very low | 44.6 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | | | trans | -60.6 | 136.1 | 172.2 | -19.7 | 32.5 | 0 | 0 | 0 | 111.3 | D190 | P188-D190 PolarHBondContact O-N 3.42Š|
| 189 | P | 52.7 | Low | 43.5 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -76.2 | 89.7 | 168.8 | 30.7 | -32.5 | 0 | 0 | 0 | 109.8 | | |
| 190 | D | 36.4 | Very low | 42.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | trans | -69 | 174.3 | 167.1 | -97.5 | -51.4 | 0 | 0 | 0 | 112.5 | P188 | P188-D190 PolarHBondContact O-N 3.42Š|
| 191 | Y | 34.3 | Very low | 42.2 | Very low | 213 Ų | 213 | 131.2 Ų | 131.2 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | | | trans | 84.8 | 100.8 | 166.4 | -45.8 | -63 | 0 | 0 | 0 | 118 | | |
| 192 | T | 40.6 | Very low | 41 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | | | trans | -62.9 | 162.5 | 153.7 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 193 | P | 43 | Very low | 39.6 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | | -143.1 | 164.2 | 107.7 | 36.7 | -22.9 | 0 | 0 | 0 | 115.7 | | |
| 194 | L | 34.1 | Very low | 38.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -66.4 | 142.8 | 179.1 | -63.7 | 154.4 | 0 | 0 | 0 | 113.3 | | |
| 195 | H | 33.1 | Very low | 37.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | | | | 166.7 | 145.6 | 106.7 | -94.6 | -64.1 | 0 | 0 | 0 | 115.4 | | |
| 196 | S | 31.3 | Very low | 36.4 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | 25.7 | 144.9 | 131 | -81.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 197 | V | 31.8 | Very low | 35.9 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | cis | -161.6 | 153.4 | 23.9 | -118.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 198 | K | 34.3 | Very low | 35.6 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | 37.7 | 121.6 | 139.1 | -64 | 169 | -176.5 | 174.6 | 0 | 121 | | |
| 199 | S | 31.1 | Very low | 35.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | | 87.9 | 131.3 | 120.8 | 75.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 200 | K | 31.5 | Very low | 34.6 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | trans | 70.8 | 84.1 | 130.6 | -163.3 | 179.6 | 176.8 | -178.6 | 0 | 119.9 | | |
| 201 | A | 32 | Very low | 34.4 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | | | | 69.6 | 175.2 | 118.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 202 | E | 31.4 | Very low | 34.4 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | | | trans | 82.4 | 104.5 | 160.7 | -65.9 | -161.1 | 77.2 | 0 | 0 | 120.9 | | |
| 203 | R | 37.1 | Very low | 33.9 | Very low | 212 Ų | 212 | 135 Ų | 135 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | | 99.5 | 137.2 | 123 | -70.8 | 169.1 | 123.2 | 120.6 | -3.7 | 121.4 | | |
| 204 | S | 31.9 | Very low | 33.6 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | | | trans | 70.1 | 127.3 | 154.3 | -69.7 | 0 | 0 | 0 | 0 | 118 | | |
| 205 | S | 37.7 | Very low | 33.9 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | 78.7 | 139.2 | 40 | 89.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 206 | S | 34.6 | Very low | 34.2 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | cis | -157.7 | 147.8 | 20.9 | -46.2 | 0 | 0 | 0 | 0 | 115 | | |
| 207 | N | 31.1 | Very low | 34.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | 54.7 | 153.3 | 133.9 | -61 | 29.7 | 0 | 0 | 0 | 125.1 | | |
| 208 | S | 33.3 | Very low | 35 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 93.4 | 142.8 | 160.1 | -124.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 209 | L | 42 | Very low | 35.1 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | | | cis | -145.1 | 171.2 | 19.6 | -163.5 | 133.9 | 0 | 0 | 0 | 113.9 | | |
| 210 | H | 33.3 | Very low | 35.2 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | -60.7 | 151.9 | -175 | -78.9 | 5.5 | 0 | 0 | 0 | 119 | | |
| 211 | G | 33.2 | Very low | 35.6 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | | | trans | 162 | 108.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 212 | V | 34.6 | Very low | 35.6 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | | 47.8 | 128.9 | 68.6 | -30.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 213 | D | 29.9 | Very low | 36.4 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | cis | -158 | 157 | -4.3 | -169.4 | 15.4 | 0 | 0 | 0 | 107.8 | | |
| 214 | G | 35.7 | Very low | 36.2 | Very low | 58 Ų | 58 | 134.7 Ų | 134.7 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | | | trans | 140.4 | 98.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 215 | D | 40.9 | Very low | 36.6 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | 52.6 | 109.8 | 140.7 | -54.5 | -13.8 | 0 | 0 | 0 | 120.7 | Q217 | D215-Q217 PolarHBondContact O-N 3.21Š|
| 216 | E | 39.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -71.6 | 103 | -179 | -61.4 | 172.5 | 91.7 | 0 | 0 | 114.1 | | |
| 217 | Q | 39.1 | Very low | 37.1 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -97.3 | 87.7 | 153.1 | -169 | 172.9 | 6.3 | 0 | 0 | 110.4 | D215 S219 | D215-Q217 PolarHBondContact O-N 3.21Å; Q217-S219 PolarHBondContact O-N 3.29Å |
| 218 | L | 39.8 | Very low | 37.9 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | | | trans | -59.1 | 115.8 | 166.9 | -56.7 | 175.4 | 0 | 0 | 0 | 107.8 | | |
| 219 | S | 37.5 | Very low | 39 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | | 65.1 | 109.6 | 50.3 | -161.4 | 0 | 0 | 0 | 0 | 112.1 | Q217 | Q217-S219 PolarHBondContact O-N 3.29Š|
| 220 | G | 33.2 | Very low | 39.1 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 174.3 | 34 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A222 | G220-A222 PolarHBondContact O-N 2.73Š|
| 221 | R | 38.9 | Very low | 39.7 | Very low | 251 Ų | 251 | 128.4 Ų | 128.4 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | | | trans | -68.9 | 108.1 | 177.2 | 171.6 | -174.8 | 168 | -174 | -3.1 | 110.4 | | |
| 222 | A | 31.8 | Very low | 40.7 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -150.5 | 82.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G220 | G220-A222 PolarHBondContact O-N 2.73Š|
| 223 | L | 49.3 | Very low | 41.9 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -92.7 | 96.2 | 161.1 | -78.8 | 177 | 0 | 0 | 0 | 109 | | |
| 224 | S | 32 | Very low | 43 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -179.4 | 146.7 | 161.1 | -81.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 225 | P | 40.8 | Very low | 44.4 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | cis | -108.6 | 176.2 | -31.8 | 19.4 | 1.9 | 0 | 0 | 0 | 110.5 | A227 | P225-A227 PolarHBondContact O-N 3.34Š|
| 226 | P | 42.4 | Very low | 45.3 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.9 | 157.5 | 27.4 | -33.3 | 0 | 0 | 0 | 108.7 | | |
| 227 | A | 39.7 | Very low | 46.1 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 138 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P225 P229 | P225-A227 PolarHBondContact O-N 3.34Å; A227-P229 WeakPolarHBondContact O-CD 3.34Å |
| 228 | V | 49.7 | Very low | 46.8 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.5 | 174.1 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | G230 | V228-G230 PolarHBondContact O-N 3.19Š|
| 229 | P | 54.5 | Low | 47.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131 | 171.3 | -24.9 | 35.5 | 0 | 0 | 0 | 110 | A227 | A227-P229 WeakPolarHBondContact O-CD 3.34Š|
| 230 | G | 45.9 | Very low | 47.9 | Very low | 65 Ų | 65 | 126.1 Ų | 126.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 160.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | V228 | V228-G230 PolarHBondContact O-N 3.19Š|
| 231 | D | 45.9 | Very low | 48.8 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | trans | -39.9 | 140.8 | 174.6 | -179.1 | 12.7 | 0 | 0 | 0 | 114.7 | S233 | D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 PolarHBondContact OD1-N 2.95Å; D231-S233 WeakPolarHBondContact OD2-CB 3.41Å; D231-S233 PolarHBondContact OD2-OG 2.89Å |
| 232 | F | 53.4 | Low | 49.7 | Very low | 208 Ų | 208 | 123.3 Ų | 123.3 | 91% | 0.912 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -80 | 0.2 | 178.2 | -103.5 | -99.4 | 0 | 0 | 0 | 113.7 | Q234 | F232-Q234 PolarHBondContact O-N 3.33Å; F232-Q234 VanDerWaalsContact O-N 3.09Å |
| 233 | S | 59.9 | Low | 50.9 | Low | 84 Ų | 84 | 124.9 Ų | 124.9 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | | | trans | -67.7 | -0.1 | -177.9 | 68.2 | 0 | 0 | 0 | 0 | 116.5 | D231 | D231-S233 VanDerWaalsContact C-N 3.27Å; D231-S233 PolarHBondContact O-N 3.27Å; D231-S233 PolarHBondContact OD1-N 2.95Å; D231-S233 WeakPolarHBondContact OD2-CB 3.41Å; D231-S233 PolarHBondContact OD2-OG 2.89Å |
| 234 | Q | 53.3 | Low | 51.2 | Low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -120.7 | 133.6 | 177.7 | -62.9 | -171.2 | 6 | 0 | 0 | 112.1 | F232 | F232-Q234 PolarHBondContact O-N 3.33Å; F232-Q234 VanDerWaalsContact O-N 3.09Å |
| 235 | P | 64.4 | Low | 52.5 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.2 | 173.2 | 28.5 | -34.5 | 0 | 0 | 0 | 110.7 | S237 | P235-S237 PolarHBondContact O-N 3.04Å; P235-S237 VanDerWaalsContact O-N 3.16Å |
| 236 | A | 60.6 | Low | 53.2 | Low | 102 Ų | 102 | 119.2 Ų | 119.2 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P238 | A236-P238 WeakPolarHBondContact O-CD 3.31Š|
| 237 | S | 55.9 | Low | 53.9 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 122.8 | -179.7 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | P235 F239 | P235-S237 PolarHBondContact O-N 3.04Å; P235-S237 VanDerWaalsContact O-N 3.16Å; S237-F239 PolarHBondContact O-N 3.03Å |
| 238 | P | 54 | Low | 54.8 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 0.7 | -175.4 | 28.9 | -35.7 | 0 | 0 | 0 | 114.4 | A236 | A236-P238 WeakPolarHBondContact O-CD 3.31Š|
| 239 | F | 48.1 | Very low | 55.1 | Low | 179 Ų | 179 | 123.2 Ų | 123.2 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 4.4 | -177.1 | -69.5 | -76.7 | 0 | 0 | 0 | 114.8 | S237 C241 | S237-F239 PolarHBondContact O-N 3.03Å; F239-C241 PolarHBondContact O-N 2.88Å |
| 240 | V | 51.9 | Low | 55.5 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | | | trans | -75.8 | 76.4 | 170.5 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | L242 | V240-L242 PolarHBondContact O-N 3.46Å; V240-L242 VanDerWaalsContact O-N 3.12Å |
| 241 | C | 52.3 | Low | 55.8 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -62.5 | 112 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | F239 D243 | F239-C241 PolarHBondContact O-N 2.88Å; C241-D243 PolarHBondContact O-N 2.93Å |
| 242 | L | 58.7 | Low | 56 | Low | 150 Ų | 150 | 127.8 Ų | 127.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | trans | -57.7 | 124.7 | 172.9 | -77.5 | 165.1 | 0 | 0 | 0 | 109.8 | V240 N244 | V240-L242 PolarHBondContact O-N 3.46Å; V240-L242 VanDerWaalsContact O-N 3.12Å; L242-N244 PolarHBondContact O-N 3.12Å; L242-N244 PolarHBondContact O-ND2 2.86Å |
| 243 | D | 55.7 | Low | 56 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | | | trans | -68.1 | 104.1 | -178.9 | -171.6 | -16.2 | 0 | 0 | 0 | 110.2 | C241 S245 | C241-D243 PolarHBondContact O-N 2.93Å; D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 3.23Å; D243-S245 PolarHBondContact OD1-OG 2.9Å |
| 244 | N | 57.2 | Low | 56 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 1.8 | -177.3 | -82.1 | -95.2 | 0 | 0 | 0 | 113.5 | L242 A246 A247 | L242-N244 PolarHBondContact O-N 3.12Å; L242-N244 PolarHBondContact O-ND2 2.86Å; N244-A246 PolarHBondContact O-N 3.37Å; N244-A247 PolarHBondContact O-N 3.49Å; N244-A247 VanDerWaalsContact O-N 3.11Å |
| 245 | S | 58.1 | Low | 55.8 | Low | 73 Ų | 73 | 129.9 Ų | 129.9 | 51% | 0.51 | 73% | 0.734 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.5 | -34.6 | 175.9 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | D243 A247 K248 | D243-S245 PolarHBondContact O-N 2.92Å; D243-S245 WeakPolarHBondContact OD1-CB 3.32Å; D243-S245 PolarHBondContact OD1-N 3.23Å; D243-S245 PolarHBondContact OD1-OG 2.9Å; S245-A247 PolarHBondContact O-N 3.4Å; S245-K248 PolarHBondContact O-N 3.3Å |
| 246 | A | 56.2 | Low | 55.1 | Low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -64 | -37.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N244 K248 H249 | N244-A246 PolarHBondContact O-N 3.37Å; A246-K248 PolarHBondContact O-N 2.97Å; A246-H249 PolarHBondContact O-N 3.19Å |
| 247 | A | 57.4 | Low | 54.6 | Low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -71.5 | -13.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N244 S245 | N244-A247 PolarHBondContact O-N 3.49Å; N244-A247 VanDerWaalsContact O-N 3.11Å; S245-A247 PolarHBondContact O-N 3.4Å |
| 248 | K | 58.5 | Low | 54 | Low | 171 Ų | 171 | 134.8 Ų | 134.8 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -85.7 | -0.5 | 179.3 | -73.8 | -179.7 | 175 | 173.5 | 0 | 114.4 | S245 A246 K250 | S245-K248 PolarHBondContact O-N 3.3Å; A246-K248 PolarHBondContact O-N 2.97Å; K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 2.95Å |
| 249 | H | 56.1 | Low | 53.4 | Low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -76.3 | 76.9 | -177 | -126.7 | -94.9 | 0 | 0 | 0 | 113.2 | A246 L251 | A246-H249 PolarHBondContact O-N 3.19Å; H249-L251 PolarHBondContact O-N 2.88Å |
| 250 | K | 62.3 | Low | 53.1 | Low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | -53.8 | 111.2 | -173.9 | -175.3 | 176 | -178.3 | 174.3 | 0 | 113.7 | K248 G252 | K248-K250 VanDerWaalsContact C-N 3.29Å; K248-K250 PolarHBondContact O-N 2.95Å; K250-G252 PolarHBondContact O-N 3.04Å |
| 251 | L | 51.9 | Low | 52.8 | Low | 156 Ų | 156 | 142.8 Ų | 142.8 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | -61.1 | 96.3 | 171.5 | -93.4 | 164.6 | 0 | 0 | 0 | 111.6 | H249 L253 | H249-L251 PolarHBondContact O-N 2.88Å; L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 HydrophobicContact CB-CD1 4.47Å; L251-L253 HydrophobicContact CD2-CD1 4.13Å; L251-L253 PolarHBondContact O-N 3.43Å |
| 252 | G | 50.8 | Low | 52.9 | Low | 58 Ų | 58 | 146.6 Ų | 146.6 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | | | trans | -77.9 | 54.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K250 R254 | K250-G252 PolarHBondContact O-N 3.04Å; G252-R254 PolarHBondContact O-N 3.18Å |
| 253 | L | 53.2 | Low | 52.4 | Low | 137 Ų | 137 | 145.4 Ų | 145.4 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | -63.6 | 107.6 | 172.7 | -95.8 | 73.6 | 0 | 0 | 0 | 110.2 | L251 N255 | L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 HydrophobicContact CB-CD1 4.47Å; L251-L253 HydrophobicContact CD2-CD1 4.13Å; L251-L253 PolarHBondContact O-N 3.43Å; L253-N255 PolarHBondContact O-N 3.49Å |
| 254 | R | 59.1 | Low | 51.3 | Low | 206 Ų | 206 | 144 Ų | 144 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | -97.5 | 80.9 | -171.7 | 45.6 | -179.2 | 63.1 | 178.1 | -4.8 | 110.9 | G252 K256 | G252-R254 PolarHBondContact O-N 3.18Å; R254-K256 PolarHBondContact O-N 2.82Å |
| 255 | N | 48.8 | Very low | 50.3 | Low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -62.4 | 113.5 | 177.4 | -68.3 | -9.4 | 0 | 0 | 0 | 111.2 | L253 | L253-N255 PolarHBondContact O-N 3.49Š|
| 256 | K | 50 | Low | 49.2 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | | | trans | -152.2 | 80.1 | 173.4 | 48.5 | 177.2 | 175.1 | 174.6 | 0 | 114.3 | R254 | R254-K256 PolarHBondContact O-N 2.82Š|
| 257 | A | 50.7 | Low | 48.1 | Very low | 92 Ų | 92 | 157.9 Ų | 157.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | -146.7 | 103.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 258 | C | 43.6 | Very low | 46.9 | Very low | 132 Ų | 132 | 160.5 Ų | 160.5 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | | | | 94.1 | 77.8 | 96.1 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 259 | N | 40.9 | Very low | 45.7 | Very low | 131 Ų | 131 | 158.7 Ų | 158.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -95.6 | 105.3 | 172.7 | 173.3 | -14.6 | 0 | 0 | 0 | 111.1 | | |
| 260 | R | 41.3 | Very low | 44.5 | Very low | 219 Ų | 219 | 159.9 Ų | 159.9 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -142.6 | 144 | 162.5 | -61.6 | -72.6 | 75.4 | 166.5 | 7.9 | 106 | | |
| 261 | R | 47.1 | Very low | 43 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | cis | -133.7 | 175.1 | 16.9 | -66.1 | 171.9 | 150.8 | 122.8 | -9.2 | 111.2 | | |
| 262 | K | 53.9 | Low | 41.8 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -125.4 | -170 | 161.9 | -46.4 | -169.9 | 172.4 | -173.9 | 0 | 110.1 | | |
| 263 | P | 48.6 | Very low | 41.1 | Very low | 125 Ų | 125 | 157.2 Ų | 157.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | | -130.3 | 172.9 | -123.7 | 32.4 | -7.9 | 0 | 0 | 0 | 117.3 | | |
| 264 | A | 32.6 | Very low | 40.1 | Very low | 94 Ų | 94 | 160.5 Ų | 160.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -149.3 | 140.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 265 | R | 36.3 | Very low | 38.5 | Very low | 237 Ų | 237 | 155.5 Ų | 155.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | cis | 87 | 115.1 | 23.5 | -80.9 | -162.8 | 159.5 | -154.6 | -6.8 | 117.1 | | |
| 266 | R | 34.1 | Very low | 37.4 | Very low | 218 Ų | 218 | 154.3 Ų | 154.3 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | trans | 69.6 | 151.6 | 169.9 | -62.8 | 179.9 | 61.4 | 159.7 | 0.4 | 115.9 | | |
| 267 | L | 33 | Very low | 36.4 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | | | cis | -173.7 | -179 | -29.1 | -105.5 | 169.5 | 0 | 0 | 0 | 104.2 | L269 | L267-L269 HydrophobicContact CD2-CB 4.45Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å |
| 268 | E | 33.2 | Very low | 35.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | cis | -112 | 174.5 | -3 | -95.6 | 74.9 | -148.5 | 0 | 0 | 109.1 | | |
| 269 | L | 32.8 | Very low | 35 | Very low | 133 Ų | 133 | 153.5 Ų | 153.5 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | | | cis | 103.3 | 121.5 | 19.9 | -143.2 | 173.1 | 0 | 0 | 0 | 114.2 | L267 | L267-L269 HydrophobicContact CD2-CB 4.45Å; L267-L269 HydrophobicContact CD2-CD1 4.46Å |
| 270 | K | 29.9 | Very low | 34.6 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | 82.3 | 148.2 | -172.4 | -59.1 | -167.5 | 174.5 | -168.3 | 0 | 115.7 | | |
| 271 | A | 31.2 | Very low | 34.3 | Very low | 83 Ų | 83 | 153 Ų | 153 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | cis | -123.9 | -179.8 | -8.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 272 | E | 27.6 | Very low | 33.6 | Very low | 198 Ų | 198 | 148 Ų | 148 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | | | cis | -159.3 | 156 | 22.1 | -142.5 | 154.3 | 124 | 0 | 0 | 108.6 | | |
| 273 | G | 35.9 | Very low | 32.3 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | 141.4 | 137.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 274 | E | 31 | Very low | 31.3 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 97% | 0.967 | 76% | 0.761 | S | S | * | * | | | trans | -65.6 | 161.3 | -167.5 | -83.2 | 148.1 | 100.9 | 0 | 0 | 117 | | |
| 275 | S | 26.2 | Very low | 31.3 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -157.4 | 176.6 | -179.9 | 71.2 | 0 | 0 | 0 | 0 | 111 | | |
| 276 | T | 25.8 | Very low | 30.9 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | 72.3 | 146.3 | -172.3 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 277 | A | 28.9 | Very low | 30.7 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | | | cis | -135.3 | 140.9 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 278 | E | 31.4 | Very low | 30.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | | 79.3 | 118.6 | 95.5 | -68 | 158.1 | -151.6 | 0 | 0 | 112.5 | | |
| 279 | E | 33 | Very low | 30.3 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | 82.8 | 108.3 | 112.1 | -68.6 | -178.1 | 177.6 | 0 | 0 | 112.8 | | |
| 280 | E | 33.3 | Very low | 30.1 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | 89.1 | 171.7 | 104.4 | -70 | -155.4 | 155 | 0 | 0 | 113.2 | | |
| 281 | E | 33.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | 58.9 | 113.8 | 168.9 | -66.3 | -156.2 | 120.3 | 0 | 0 | 122.5 | | |
| 282 | L | 32.2 | Very low | 30.3 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | | | | 75.5 | 143.9 | 120.5 | -64.2 | 176.4 | 0 | 0 | 0 | 124 | | |
| 283 | T | 27.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | 69.2 | 106.9 | 141.4 | 45.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 284 | V | 28.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | | | | 64 | 141.8 | 103.9 | 169.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 285 | S | 31.4 | Very low | 30.7 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 85.1 | 107.8 | 163.1 | -72.9 | 0 | 0 | 0 | 0 | 120 | | |
| 286 | L | 27.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 55% | 0.545 | 74% | 0.736 | S | S | . | * | | | | -7.6 | 141.6 | 125.9 | -73.6 | 164.5 | 0 | 0 | 0 | 117.1 | S847 | L286-S847 WeakPolarHBondContact CD1-O 3.24Š|
| 287 | T | 29.9 | Very low | 31.3 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 92% | 0.92 | 73% | 0.728 | S | S | * | * | | | | -162.5 | 155 | 120.9 | 9.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 288 | A | 27.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | -126.3 | 140.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 289 | A | 31.6 | Very low | 31.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | | | trans | -164.3 | 129.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 290 | D | 28.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | cis | 83.6 | 162.1 | 48.3 | -151.6 | -81 | 0 | 0 | 0 | 112.9 | | |
| 291 | V | 34.2 | Very low | 31.2 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | trans | 67.5 | 90.9 | -172.5 | -169.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 292 | T | 30.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | | | | 73.3 | 156 | 67.1 | 71.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 293 | E | 34.8 | Very low | 31.1 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | trans | 72.5 | 150.3 | 165.7 | -75.8 | 178.3 | 153.8 | 0 | 0 | 116.8 | | |
| 294 | E | 33.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 132 Ų | 132 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | | | cis | -167.1 | 146.1 | -4.8 | 162.4 | -176.7 | -158.3 | 0 | 0 | 110.8 | | |
| 295 | Q | 34.1 | Very low | 31.6 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | | | trans | 60.8 | 172.1 | 159 | -77.2 | -178.9 | 42.6 | 0 | 0 | 120.7 | | |
| 296 | Q | 34.1 | Very low | 31.8 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | cis | -161 | 162.5 | -48.5 | -117.5 | -178.2 | 37.6 | 0 | 0 | 110.8 | | |
| 297 | K | 30.5 | Very low | 32 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | | | trans | 53.6 | 92.8 | 142.7 | -166 | -169.9 | 168.1 | -67.7 | 0 | 121 | E299 | K297-E299 IonicContact NZ-OE2 3.63Å; K297-E299 PolarHBondContact NZ-OE2 3.3Å |
| 298 | A | 32.9 | Very low | 32.2 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 71% | 0.714 | S | S | * | * | | | | 59.8 | 179.3 | 113.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 299 | E | 28.2 | Very low | 32.3 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | trans | 77.9 | 111.1 | -179.1 | -75.9 | 166.6 | 81 | 0 | 0 | 115.7 | K297 | K297-E299 IonicContact NZ-OE2 3.63Å; K297-E299 PolarHBondContact NZ-OE2 3.3Å |
| 300 | V | 32.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | | | | 78.7 | 96.5 | 74.4 | 165.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 301 | E | 32.2 | Very low | 32.3 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | | | | 92.9 | 155 | 81.1 | -171 | 172.2 | -168.2 | 0 | 0 | 112.2 | | |
| 302 | S | 31 | Very low | 32.2 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | | | trans | 61.2 | 114.2 | -176.3 | 39.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 303 | R | 31.5 | Very low | 32.5 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | | 78.2 | 151.4 | 50.3 | -168 | -142.3 | 163.1 | 120.7 | -2.2 | 111.2 | | |
| 304 | D | 32.9 | Very low | 32.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | | | trans | 77 | 144 | 175.1 | -71.4 | 2.1 | 0 | 0 | 0 | 115.1 | | |
| 305 | Q | 33.4 | Very low | 32.5 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | cis | -150.7 | 162.9 | -2.8 | -124 | 171.3 | 76.6 | 0 | 0 | 111.3 | | |
| 306 | L | 37 | Very low | 32.9 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | | | trans | 17 | 152 | 135 | -64.5 | 175.5 | 0 | 0 | 0 | 119.1 | | |
| 307 | K | 30.3 | Very low | 32.8 | Very low | 165 Ų | 165 | 142 Ų | 142 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | | | cis | 173.7 | -177.8 | 0.7 | 166.1 | -179.4 | 166 | -163.6 | 0 | 104.7 | | |
| 308 | A | 34.5 | Very low | 33 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 55% | 0.554 | 72% | 0.719 | S | S | * | * | | | trans | 85.7 | 123.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 309 | E | 29.8 | Very low | 33 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | | | | 75.6 | 136.7 | 83.3 | -64.8 | 149.5 | -139.2 | 0 | 0 | 110.3 | | |
| 310 | T | 30 | Very low | 33.9 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | | | cis | -145.4 | -157.6 | 14.8 | -15.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 311 | E | 30.1 | Very low | 33.8 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | | | trans | -12 | 154 | 146.4 | -53.6 | 132.4 | 164.4 | 0 | 0 | 116.1 | | |
| 312 | E | 33 | Very low | 33.7 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | | | cis | -140.8 | 154.1 | 37.4 | -75.6 | 173.9 | 159.2 | 0 | 0 | 110.6 | | |
| 313 | E | 36.3 | Very low | 33.6 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | | | | 59 | 153.8 | 100.5 | -44.9 | -171.4 | 144.4 | 0 | 0 | 115 | | |
| 314 | E | 35.5 | Very low | 33.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | | | cis | -157.3 | 156.1 | 10.9 | -148.5 | 171.9 | -162.1 | 0 | 0 | 109.3 | | |
| 315 | D | 32.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | | | trans | 48 | 165.2 | 149.6 | -86.9 | -19.1 | 0 | 0 | 0 | 123.2 | | |
| 316 | E | 42.1 | Very low | 33.2 | Very low | 164 Ų | 164 | 137 Ų | 137 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | | | cis | -137.7 | -174.6 | 8.7 | -145.8 | -176.3 | -148.3 | 0 | 0 | 112.5 | | |
| 317 | E | 32 | Very low | 32.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | -59.4 | 176.1 | 170.9 | -54.5 | -172.3 | 110.1 | 0 | 0 | 112.8 | | |
| 318 | D | 36.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | cis | -151.5 | 169.2 | 18.5 | -166.8 | 5.6 | 0 | 0 | 0 | 111.7 | | |
| 319 | K | 32.8 | Very low | 33.6 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | | | trans | -94.4 | -146.1 | 161.4 | -63 | -179.2 | 172.5 | 170.6 | 0 | 107.6 | | |
| 320 | P | 46.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 137.4 Ų | 137.4 | 62% | 0.623 | 74% | 0.738 | S | S | * | * | | | cis | -116.3 | -155.7 | -41.7 | 15.2 | 8.9 | 0 | 0 | 0 | 110.1 | | |
| 321 | Q | 30.4 | Very low | 33.6 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | 83.4 | 143.1 | 150.4 | -58.6 | -156.8 | 11.2 | 0 | 0 | 118.5 | | |
| 322 | K | 28.9 | Very low | 33.7 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | | | cis | -168.8 | 170.7 | -22.7 | -123.8 | 174.3 | 155.9 | -74.4 | 0 | 111.4 | | |
| 323 | D | 28.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 137 Ų | 137 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | | | trans | 53.5 | 107.8 | 143 | -61.1 | -13.5 | 0 | 0 | 0 | 121.8 | | |
| 324 | S | 28.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | | | | 85.1 | 156.3 | 118.5 | 78.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 325 | A | 32.7 | Very low | 33.6 | Very low | 99 Ų | 99 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -110.6 | 150 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 326 | A | 27.8 | Very low | 33.8 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -153.9 | 150.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 327 | F | 31.6 | Very low | 33.6 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 90% | 0.899 | 75% | 0.752 | S | S | * | * | | | trans | -83.7 | -164.8 | 164.3 | -50.7 | -104.3 | 0 | 0 | 0 | 109.1 | | |
| 328 | P | 48.1 | Very low | 33.9 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | cis | -136.7 | -167.3 | -11.6 | 36.3 | -14.6 | 0 | 0 | 0 | 114.1 | | |
| 329 | L | 31.4 | Very low | 33.7 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | | | trans | 69.5 | 153.1 | 163.8 | -58.3 | 154.5 | 0 | 0 | 0 | 116.6 | | |
| 330 | G | 27.1 | Very low | 33.8 | Very low | 59 Ų | 59 | 125.4 Ų | 125.4 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | cis | 146.6 | 109.5 | -13.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 331 | D | 32.7 | Very low | 33.1 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | -158.5 | 138.1 | 163.3 | -88.2 | -48.4 | 0 | 0 | 0 | 107.2 | | |
| 332 | N | 33 | Very low | 33 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | | | | 81.4 | 129.8 | 50.7 | -60 | -23.3 | 0 | 0 | 0 | 111.7 | | |
| 333 | D | 36.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | cis | -157.1 | 162.4 | 4 | -81.1 | -41.7 | 0 | 0 | 0 | 112.6 | | |
| 334 | G | 31.4 | Very low | 33.4 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | 82.8 | 152.8 | 150 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 335 | E | 34.7 | Very low | 33.6 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | | | cis | -157.8 | 143.7 | -8.3 | -93.1 | 170.6 | 129.6 | 0 | 0 | 109.5 | | |
| 336 | D | 36.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | 40 | 155.9 | 149.8 | -52.5 | -14.7 | 0 | 0 | 0 | 123.1 | | |
| 337 | D | 36.7 | Very low | 34 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | cis | -148.7 | -167.2 | 7.7 | -156.1 | -100 | 0 | 0 | 0 | 112.3 | | |
| 338 | A | 39.5 | Very low | 34.7 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 58% | 0.579 | 73% | 0.727 | S | S | * | * | | | trans | -90.2 | -165.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 339 | E | 31 | Very low | 33.9 | Very low | 167 Ų | 167 | 128 Ų | 128 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | cis | -142.3 | 149.8 | 14.9 | -74.4 | -78.3 | 133 | 0 | 0 | 107.3 | | |
| 340 | A | 35.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | | | | 72.5 | 135.7 | 68.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 341 | E | 31.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | 67.2 | 159.8 | 160.8 | -51.6 | -67.5 | 80.9 | 0 | 0 | 118.7 | | |
| 342 | Q | 29.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | cis | -161.1 | -167.1 | -35 | -114 | -156.3 | 78.6 | 0 | 0 | 110.2 | | |
| 343 | D | 29.7 | Very low | 34.3 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 70 | 138.3 | 169.9 | -67.9 | -46.4 | 0 | 0 | 0 | 119.4 | | |
| 344 | V | 35.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | cis | 108.7 | 84.5 | 10.2 | -176.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 345 | S | 32.5 | Very low | 34.3 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | | | | 85.3 | 154.3 | 129.8 | 79.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 346 | H | 36.1 | Very low | 34.1 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | 79.6 | 155.4 | 153.5 | -64.5 | -52.3 | 0 | 0 | 0 | 122 | | |
| 347 | A | 32.6 | Very low | 33.7 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | | | trans | -109.1 | -168.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 348 | P | 46.8 | Very low | 33.2 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | | | | -159.4 | 172 | 77.9 | 43.7 | -23.1 | 0 | 0 | 0 | 119.3 | | |
| 349 | D | 31.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | | | trans | 86.3 | 151.3 | 135 | -109.7 | -44.9 | 0 | 0 | 0 | 127.2 | | |
| 350 | A | 28.6 | Very low | 33 | Very low | 80 Ų | 80 | 122.2 Ų | 122.2 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | trans | 86.2 | 114.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 124.7 | | |
| 351 | S | 26.4 | Very low | 33 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | | | trans | 95.8 | 150.4 | 138.2 | 76.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 352 | C | 26.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 126 Ų | 126 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -142.9 | -166.5 | -178.5 | -27.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 353 | P | 50.5 | Low | 33.7 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | | | cis | -124.4 | -134.4 | -34.1 | 29.8 | -4.3 | 0 | 0 | 0 | 107.5 | | |
| 354 | P | 42.1 | Very low | 34.1 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | | | cis | -143.1 | 178.8 | -18.9 | 48 | -31.1 | 0 | 0 | 0 | 117.1 | | |
| 355 | E | 26.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 130 Ų | 130 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | 51.3 | 167.3 | 146.1 | -48.9 | -119.3 | 78.4 | 0 | 0 | 122.7 | | |
| 356 | S | 29.3 | Very low | 34.5 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | | | cis | -176.6 | 144.7 | -40.9 | -80.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 357 | G | 28.2 | Very low | 34.6 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | trans | 109.5 | 158 | 144 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 358 | F | 26.6 | Very low | 34.8 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | | | trans | 73.2 | 119.8 | 153.4 | -56.9 | -66.9 | 0 | 0 | 0 | 118.3 | | |
| 359 | S | 31.9 | Very low | 34.1 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | | | | 75.1 | 159.2 | 74.3 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 360 | E | 35.1 | Very low | 34.5 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | | | cis | -158.1 | -173.9 | 24.7 | -130.6 | 127.3 | 160.2 | 0 | 0 | 111.4 | | |
| 361 | E | 35.3 | Very low | 35 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | 61.3 | 167.6 | 150.6 | -78.9 | 134.9 | -166.8 | 0 | 0 | 120.8 | | |
| 362 | E | 39.8 | Very low | 35.4 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | cis | -147.8 | 143.5 | 12.4 | -121.6 | 150.2 | -151.3 | 0 | 0 | 107.7 | | |
| 363 | E | 35.7 | Very low | 36 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | | 66.3 | 152.6 | 92.8 | -65.5 | -173.7 | -176.2 | 0 | 0 | 117.7 | | |
| 364 | E | 37.1 | Very low | 35.2 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | cis | -170.2 | 168.6 | -34.8 | -147.1 | 165.4 | -139 | 0 | 0 | 110.5 | | |
| 365 | E | 38.1 | Very low | 35.2 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | 58.5 | 172.8 | 164.9 | -48.1 | -163.7 | 135.8 | 0 | 0 | 119 | | |
| 366 | E | 39.8 | Very low | 35.5 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | | | cis | -141.9 | 169.2 | 8.6 | -55.8 | 169.4 | 100 | 0 | 0 | 108 | | |
| 367 | E | 38.2 | Very low | 36 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | cis | -170.8 | 172.1 | -25.5 | -102.8 | -79.8 | -125.8 | 0 | 0 | 108.8 | | |
| 368 | E | 36 | Very low | 36.1 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | | | trans | 65.2 | -173.6 | 170.7 | -64.1 | -172.9 | 149.9 | 0 | 0 | 118 | | |
| 369 | D | 32 | Very low | 36.2 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | | -163.5 | 170.3 | -86.6 | -100.9 | 22.4 | 0 | 0 | 0 | 108.6 | | |
| 370 | E | 39.4 | Very low | 36 | Very low | 154 Ų | 154 | 151 Ų | 151 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | | | cis | -170.1 | 175.7 | -41 | -116.9 | -80.4 | 46.6 | 0 | 0 | 109.1 | | |
| 371 | E | 39.1 | Very low | 35.8 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | | | trans | 80.4 | 151.6 | 164.8 | -55.3 | -149 | 117.8 | 0 | 0 | 119.9 | | |
| 372 | E | 36.5 | Very low | 36.2 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | | | cis | -107.1 | 158.5 | 19.2 | -67.6 | -166.9 | 130.1 | 0 | 0 | 118.2 | | |
| 373 | Q | 38.9 | Very low | 35.7 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -119.7 | -160 | 170.7 | -55.1 | 169.5 | 81.2 | 0 | 0 | 108.8 | | |
| 374 | D | 33.3 | Very low | 35.4 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | cis | -149.1 | -174.7 | -14.9 | -162.6 | 24.2 | 0 | 0 | 0 | 103.6 | | |
| 375 | A | 41.8 | Very low | 35 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | | | cis | -153.3 | 164.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 376 | S | 33.9 | Very low | 34.6 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -171.3 | 143.5 | 48.5 | -52.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 377 | V | 38.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | cis | 75.8 | 104.5 | 31 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 378 | D | 31.8 | Very low | 33.7 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | | | | -166.5 | 125.8 | 107.8 | -136.1 | 28.1 | 0 | 0 | 0 | 116.5 | | |
| 379 | R | 28.6 | Very low | 33.5 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | 50.4 | 148.7 | 136.8 | -70.9 | 175.2 | -138.1 | -107.5 | -25.4 | 121.8 | | |
| 380 | R | 28.3 | Very low | 33.5 | Very low | 208 Ų | 208 | 127 Ų | 127 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | cis | -161.5 | 156.7 | 1.2 | -134 | 168.4 | -170.1 | -169.3 | 1.2 | 112.3 | | |
| 381 | A | 30.6 | Very low | 33 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | -75.4 | 172.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 382 | P | 43.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | | | | -150.9 | 166.7 | 95.6 | 40.7 | -24.1 | 0 | 0 | 0 | 118.6 | | |
| 383 | S | 29.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -31.7 | 160.2 | 168.5 | -42.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 384 | S | 28.8 | Very low | 32 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | -72.2 | 147.6 | 172.4 | -44.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 385 | S | 29.6 | Very low | 32.2 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | | 139.6 | 146.1 | 124.2 | 70.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 386 | S | 29 | Very low | 33 | Very low | 125 Ų | 125 | 121 Ų | 121 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | trans | 65.6 | 139.5 | 156.8 | -52.6 | 0 | 0 | 0 | 0 | 120 | | |
| 387 | G | 28.9 | Very low | 32.8 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | 128.4 | 57 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 388 | S | 31 | Very low | 32.6 | Very low | 120 Ų | 120 | 123 Ų | 123 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -83 | 123.6 | 167 | -49.7 | 0 | 0 | 0 | 0 | 112 | | |
| 389 | T | 30.8 | Very low | 32.7 | Very low | 134 Ų | 134 | 122 Ų | 122 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -166 | 122.2 | 148.6 | 19.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 390 | S | 31.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | trans | 51.2 | 124.7 | 141 | 63.2 | 0 | 0 | 0 | 0 | 123.8 | | |
| 391 | S | 30.5 | Very low | 34 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 72.5 | 159.8 | 136.1 | 73 | 0 | 0 | 0 | 0 | 120.2 | | |
| 392 | S | 28.6 | Very low | 35.6 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | cis | 178.3 | 120 | -31.6 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 393 | L | 32.3 | Very low | 36.4 | Very low | 164 Ų | 164 | 117.4 Ų | 117.4 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | 48 | 144.2 | 156.7 | -49.2 | 174.2 | 0 | 0 | 0 | 118.4 | | |
| 394 | D | 31.9 | Very low | 37 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | cis | -176.3 | 147.9 | 41.9 | -173.7 | 26.8 | 0 | 0 | 0 | 112.8 | | |
| 395 | S | 37.4 | Very low | 37.2 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | trans | 58.9 | 167.6 | 144.3 | -80.5 | 0 | 0 | 0 | 0 | 123.9 | | |
| 396 | P | 59.4 | Low | 37.4 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | cis | -132.6 | 168.8 | -4.2 | 24.3 | -1.2 | 0 | 0 | 0 | 118.1 | | |
| 397 | S | 29.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 116.6 Ų | 116.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | 76.6 | 142.6 | 159.9 | -103 | 0 | 0 | 0 | 0 | 119.1 | | |
| 398 | V | 33.1 | Very low | 37.8 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | cis | -152.6 | 159.8 | 2.7 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 399 | S | 34.1 | Very low | 37.8 | Very low | 96 Ų | 96 | 121.2 Ų | 121.2 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | trans | -79.6 | 178.6 | 177.4 | -108.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 400 | P | 53.1 | Low | 38.1 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | cis | -125 | 166.1 | 18.3 | 28.1 | -4.9 | 0 | 0 | 0 | 116 | | |
| 401 | E | 31.9 | Very low | 38.5 | Very low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | | | cis | 99.4 | 160.6 | 43.5 | -131.6 | -157.3 | 92.2 | 0 | 0 | 113.1 | | |
| 402 | P | 64.8 | Low | 38.3 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | | | | -123.9 | -150.5 | -86.8 | 46.3 | -32.2 | 0 | 0 | 0 | 113 | | |
| 403 | P | 60.5 | Low | 39.4 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | | | cis | -143.3 | 172.2 | -4.5 | 41 | -20.4 | 0 | 0 | 0 | 120.7 | | |
| 404 | A | 40.3 | Very low | 39.4 | Very low | 102 Ų | 102 | 120 Ų | 120 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | 73.3 | 141.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 405 | G | 33.3 | Very low | 39.3 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | | | cis | 164.6 | 166.3 | -12.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 406 | Q | 33.4 | Very low | 38.8 | Very low | 177 Ų | 177 | 122.3 Ų | 122.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | | | trans | 73 | 123.7 | 167.6 | -61.2 | 162.1 | 61.4 | 0 | 0 | 116.3 | | |
| 407 | T | 33.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | | | cis | 78.9 | 148.6 | 40.8 | 74 | 0 | 0 | 0 | 0 | 112.9 | | |
| 408 | E | 32.9 | Very low | 37.2 | Very low | 162 Ų | 162 | 121.1 Ų | 121.1 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | cis | -152.1 | -161.4 | 29.1 | -65.9 | -173.7 | -170 | 0 | 0 | 110 | | |
| 409 | H | 32.2 | Very low | 36.8 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | | | | -168.7 | 151.3 | -68.2 | -72 | -39.7 | 0 | 0 | 0 | 108.8 | | |
| 410 | L | 35.8 | Very low | 36.4 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | 69.3 | 127.6 | 139.4 | -77.2 | 169.9 | 0 | 0 | 0 | 125.7 | | |
| 411 | T | 39.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | 84.1 | 138 | 143.3 | -31.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 412 | G | 27 | Very low | 35.2 | Very low | 63 Ų | 63 | 119 Ų | 119 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | trans | -101.8 | -143.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 413 | P | 51.1 | Low | 33.6 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -131.3 | 177.9 | -4.1 | 43.1 | -27.6 | 0 | 0 | 0 | 115 | | |
| 414 | A | 32.1 | Very low | 32.2 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | | | trans | 39.3 | 120.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 415 | G | 30.9 | Very low | 31.6 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -176.7 | 90.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 416 | F | 26.4 | Very low | 31.5 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | trans | 41.2 | 122.6 | 138.8 | -144.6 | -112.3 | 0 | 0 | 0 | 122.9 | | |
| 417 | C | 25.2 | Very low | 31.3 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 57% | 0.574 | 75% | 0.745 | S | S | * | * | | | trans | 48.5 | 123.2 | 145.7 | -68.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 418 | C | 29 | Very low | 31.1 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | | 43.5 | 145.4 | 118.9 | -50.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 419 | A | 24.5 | Very low | 30.8 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | trans | 111.5 | 91.2 | 141 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 420 | V | 26.9 | Very low | 30.8 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 56 | 140.9 | 133.5 | -90.5 | 0 | 0 | 0 | 0 | 124.5 | | |
| 421 | H | 27.8 | Very low | 31 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | | | trans | 80.8 | 138.3 | 145.9 | -67.8 | -47.5 | 0 | 0 | 0 | 120.9 | | |
| 422 | S | 32.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 70 | 143.4 | 156.8 | -72.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 423 | E | 29.9 | Very low | 31.3 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | cis | -164.6 | 146.5 | -10.2 | 51.4 | -161.5 | 83.1 | 0 | 0 | 109.8 | | |
| 424 | S | 31.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 127 Ų | 127 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 55.1 | 151.4 | 161.1 | -58.1 | 0 | 0 | 0 | 0 | 119.2 | | |
| 425 | D | 28.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | cis | -157.9 | 155.7 | 23.6 | -143.4 | -50.4 | 0 | 0 | 0 | 113.1 | | |
| 426 | S | 30.7 | Very low | 31.3 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | | | trans | 58.5 | 113.1 | 150.7 | -71.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 427 | L | 29.8 | Very low | 32.1 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | | | trans | 71.9 | 144.6 | 135.8 | -52.9 | 168.4 | 0 | 0 | 0 | 118.2 | | |
| 428 | T | 28.9 | Very low | 32.7 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | cis | -158.3 | 143.1 | 3.9 | -5.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 429 | G | 27.8 | Very low | 33.4 | Very low | 61 Ų | 61 | 124.9 Ų | 124.9 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | | | trans | 69.2 | 159 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 430 | E | 32.2 | Very low | 34.5 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | | | cis | -158.8 | -161.8 | -21.1 | 33.9 | -140.7 | 49 | 0 | 0 | 106.7 | | |
| 431 | E | 39.5 | Very low | 35.7 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | | | trans | 70.6 | 158.5 | 174.1 | -41.1 | -55.5 | 73.9 | 0 | 0 | 119.6 | | |
| 432 | E | 42.1 | Very low | 36.7 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | | | trans | 55.3 | 108.3 | 160.4 | -152.3 | 170.3 | 175.4 | 0 | 0 | 119.8 | | |
| 433 | N | 30.2 | Very low | 38 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 84% | 0.84 | 71% | 0.708 | S | S | * | * | | | trans | -121.4 | 144.7 | 147.7 | -169.5 | 29.1 | 0 | 0 | 0 | 109.1 | | |
| 434 | V | 35.6 | Very low | 39.6 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 54% | 0.539 | 70% | 0.697 | S | S | . | * | | | trans | -88.1 | 164.3 | -173.2 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 435 | D | 35.4 | Very low | 40.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | | | trans | 61.4 | 160 | 157.5 | -74.5 | -57.8 | 0 | 0 | 0 | 117.3 | | |
| 436 | E | 43.7 | Very low | 41.8 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | | | cis | -115.8 | 170.8 | -18.6 | -86.3 | 109.8 | 163.8 | 0 | 0 | 107 | | |
| 437 | G | 42.6 | Very low | 43.1 | Very low | 59 Ų | 59 | 121.7 Ų | 121.7 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | | | cis | 91.6 | 110.6 | 27.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 438 | S | 38.3 | Very low | 43.9 | Very low | 126 Ų | 126 | 121.6 Ų | 121.6 | 88% | 0.881 | 68% | 0.683 | S | S | * | * | | | trans | 77.2 | 157.6 | -167 | -37.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 439 | S | 43.7 | Very low | 44.4 | Very low | 54 Ų | 54 | 124.1 Ų | 124.1 | 38% | 0.378 | 68% | 0.683 | S | S | . | * | | | cis | -146.4 | 104.4 | 21.4 | -175.1 | 0 | 0 | 0 | 0 | 114.9 | L441 E442 | S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 PolarHBondContact OG-N 2.86Å; S439-E442 WeakPolarHBondContact O-CB 3.34Å; S439-E442 PolarHBondContact O-N 2.9Å; S439-E442 VanDerWaalsContact O-N 3.14Å; S439-E442 PolarHBondContact OG-N 3.26Å |
| 440 | L | 46.8 | Very low | 44.9 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -60.8 | -20 | 163.3 | -177.9 | 62.3 | 0 | 0 | 0 | 112.3 | E442 | L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.04Å |
| 441 | L | 52 | Low | 45.2 | Very low | 123 Ų | 123 | 124 Ų | 124 | 64% | 0.644 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.4 | -15.8 | 177.6 | -57.4 | 174.4 | 0 | 0 | 0 | 112.5 | S439 L445 | S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 PolarHBondContact OG-N 2.86Å; L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.47Å |
| 442 | E | 48.8 | Very low | 44.8 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77.2 | -35.2 | 179.1 | -162.3 | 158.9 | 156 | 0 | 0 | 112.2 | S439 L440 L445 S446 | S439-E442 WeakPolarHBondContact O-CB 3.34Å; S439-E442 PolarHBondContact O-N 2.9Å; S439-E442 VanDerWaalsContact O-N 3.14Å; S439-E442 PolarHBondContact OG-N 3.26Å; L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.04Å; E442-L445 PolarHBondContact O-N 3.3Å; E442-S446 WeakPolarHBondContact O-CB 3.45Å; E442-S446 PolarHBondContact O-N 3.44Å; E442-S446 PolarHBondContact O-OG 3.17Å |
| 443 | E | 59.1 | Low | 44.7 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 171.5 | -170.5 | -175.6 | 120.6 | 0 | 0 | 111.6 | L445 S446 S447 | E443-L445 PolarHBondContact O-N 3.39Å; E443-S446 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-OG 2.94Å; E443-S447 VanDerWaalsContact O-OG 3.07Å |
| 444 | V | 65.1 | Low | 45.4 | Very low | 87 Ų | 87 | 120.3 Ų | 120.3 | 53% | 0.527 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 179.6 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 445 | L | 55.4 | Low | 45.2 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 63% | 0.634 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.3 | -25.4 | 176.8 | -70.3 | 175.5 | 0 | 0 | 0 | 113.5 | L441 E442 E443 | L441-L445 WeakPolarHBondContact O-CG 3.22Å; L441-L445 PolarHBondContact O-N 3.47Å; E442-L445 PolarHBondContact O-N 3.3Å; E443-L445 PolarHBondContact O-N 3.39Å |
| 446 | S | 50.5 | Low | 45.2 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 53% | 0.531 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -70.8 | -39.9 | 172.6 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | E442 E443 L448 K449 | E442-S446 WeakPolarHBondContact O-CB 3.45Å; E442-S446 PolarHBondContact O-N 3.44Å; E442-S446 PolarHBondContact O-OG 3.17Å; E443-S446 PolarHBondContact O-N 2.93Å; S446-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact O-N 3.13Å; S446-K449 PolarHBondContact O-N 2.79Å |
| 447 | S | 56.8 | Low | 44.6 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -12.8 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 115.1 | E443 | E443-S447 PolarHBondContact O-N 2.93Å; E443-S447 PolarHBondContact O-OG 2.94Å; E443-S447 VanDerWaalsContact O-OG 3.07Å |
| 448 | L | 46.6 | Very low | 44.1 | Very low | 152 Ų | 152 | 123 Ų | 123 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 11.2 | -177.7 | -117.4 | 74.4 | 0 | 0 | 0 | 114.1 | S446 | S446-L448 PolarHBondContact O-N 2.72Å; S446-L448 VanDerWaalsContact O-N 3.13Å |
| 449 | K | 40.8 | Very low | 43.7 | Very low | 178 Ų | 178 | 120 Ų | 120 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | | | trans | -133.5 | 30.8 | -158.3 | -125.3 | 164.7 | -171.4 | 169.5 | 0 | 117.8 | S446 | S446-K449 PolarHBondContact O-N 2.79Š|
| 450 | T | 37.7 | Very low | 43 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | | | trans | -127.4 | 85.1 | 175.7 | 45.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 451 | S | 37.5 | Very low | 42.3 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | | | trans | -160.1 | 134.8 | 157.8 | -83 | 0 | 0 | 0 | 0 | 112.7 | | |
| 452 | H | 32.5 | Very low | 41.3 | Very low | 191 Ų | 191 | 123.4 Ų | 123.4 | 88% | 0.884 | 72% | 0.718 | S | S | * | * | | | trans | 81.3 | 147.4 | 174.3 | -51.9 | -61.9 | 0 | 0 | 0 | 118.3 | | |
| 453 | S | 38.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -103.4 | -179.5 | -161.3 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 454 | P | 45.7 | Very low | 39.3 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | | | | -135.3 | -179.1 | 110.1 | 39.8 | -30.9 | 0 | 0 | 0 | 114.3 | | |
| 455 | D | 31.8 | Very low | 37.7 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | | | trans | -99.8 | -179.6 | -178.7 | -173.7 | 20.7 | 0 | 0 | 0 | 112.1 | | |
| 456 | V | 34.3 | Very low | 36.8 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | | | trans | 79.6 | 105 | 162.2 | -59.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 457 | V | 32.3 | Very low | 36 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | | 87.1 | 124.4 | 123.8 | 172.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 458 | S | 31.4 | Very low | 35 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | 72 | 136.3 | 157.4 | -168.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 459 | G | 30.6 | Very low | 34.5 | Very low | 61 Ų | 61 | 137.2 Ų | 137.2 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | cis | 163.3 | 174.6 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 460 | V | 29.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | 71.4 | 142.5 | -176.4 | 169.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 461 | V | 30.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | | | cis | 157.2 | 159.1 | -30.4 | 150.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 462 | M | 31.7 | Very low | 34.3 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 88.4 | 112.6 | -171.9 | -46.2 | -81.3 | 72.4 | 0 | 0 | 112 | | |
| 463 | E | 31.2 | Very low | 34.3 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | | 76.4 | 138.6 | 74.8 | -72.8 | 172.2 | -172.4 | 0 | 0 | 111.8 | | |
| 464 | T | 34.8 | Very low | 34.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | | | cis | -138.9 | 139.4 | 20.9 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 465 | E | 31.9 | Very low | 33.8 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | | 77.4 | 171.5 | 98 | -54.3 | -161.7 | 126.3 | 0 | 0 | 116.4 | | |
| 466 | E | 36.2 | Very low | 34 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | | | trans | 70.7 | 108 | -172.5 | -52.8 | -176.5 | 163.6 | 0 | 0 | 113.6 | | |
| 467 | T | 33.9 | Very low | 34.1 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | | | cis | 70.4 | 146.1 | 38.4 | 83.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 468 | E | 35.2 | Very low | 34.3 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | | | cis | -130.4 | -177 | -4.9 | -62.1 | 177.8 | 115 | 0 | 0 | 106.9 | | |
| 469 | D | 37.3 | Very low | 34.6 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | | | cis | -97.3 | -166.5 | -1 | -44.1 | -80.6 | 0 | 0 | 0 | 111.3 | | |
| 470 | E | 37.7 | Very low | 34.9 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | cis | 86.9 | 102.7 | 3.4 | -156.6 | 178.1 | -144.7 | 0 | 0 | 121.6 | | |
| 471 | A | 36.4 | Very low | 35.2 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | trans | 178.6 | 116.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 472 | V | 37 | Very low | 35.3 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | | 74.3 | 122.6 | 68.6 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 473 | E | 33.1 | Very low | 36.2 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | cis | -157.3 | 156.5 | -4.6 | -121.2 | -175.1 | 140.6 | 0 | 0 | 113.4 | | |
| 474 | V | 34.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | | | trans | 14.7 | 122.2 | 134 | 175.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 475 | D | 37.7 | Very low | 36.1 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 54% | 0.535 | 75% | 0.745 | S | S | . | * | | | | -174.2 | 126.1 | 109.7 | -125.8 | -156.2 | 0 | 0 | 0 | 107.6 | R477 | D475-R477 IonicContact OD1-CZ 3.48Å; D475-R477 IonicContact OD1-NE 3.21Å; D475-R477 PolarHBondContact OD1-NE 3.29Å; D475-R477 IonicContact OD1-NH1 3.63Å; D475-R477 IonicContact OD1-NH2 2.67Å; D475-R477 PolarHBondContact OD1-NH2 3.19Å; D475-R477 IonicContact OD2-CZ 2.79Å; D475-R477 IonicContact OD2-NE 3.39Å; D475-R477 PolarHBondContact OD2-NE 2.87Å; D475-R477 IonicContact OD2-NH1 2.65Å; D475-R477 PolarHBondContact OD2-NH1 3.43Å; D475-R477 IonicContact OD2-NH2 2.99Å; D475-R477 PolarHBondContact OD2-NH2 3.28Å |
| 476 | E | 35.8 | Very low | 36.2 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | | | cis | 58 | 142.4 | 45.3 | -61.4 | -148.8 | 140 | 0 | 0 | 112.8 | | |
| 477 | R | 36.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | | | cis | -167.9 | 173.9 | 25.7 | 33.3 | -104.9 | 176.6 | 168.1 | -18 | 112.3 | D475 | D475-R477 IonicContact OD1-CZ 3.48Å; D475-R477 IonicContact OD1-NE 3.21Å; D475-R477 PolarHBondContact OD1-NE 3.29Å; D475-R477 IonicContact OD1-NH1 3.63Å; D475-R477 IonicContact OD1-NH2 2.67Å; D475-R477 PolarHBondContact OD1-NH2 3.19Å; D475-R477 IonicContact OD2-CZ 2.79Å; D475-R477 IonicContact OD2-NE 3.39Å; D475-R477 PolarHBondContact OD2-NE 2.87Å; D475-R477 IonicContact OD2-NH1 2.65Å; D475-R477 PolarHBondContact OD2-NH1 3.43Å; D475-R477 IonicContact OD2-NH2 2.99Å; D475-R477 PolarHBondContact OD2-NH2 3.28Å |
| 478 | K | 37 | Very low | 36 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | 80.2 | 144.2 | 158.6 | -52.4 | -171.4 | 147.2 | -73 | 0 | 116.7 | | |
| 479 | E | 36.8 | Very low | 36.1 | Very low | 136 Ų | 136 | 135 Ų | 135 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -151.3 | 174.8 | -5.4 | -137.6 | 92.3 | -91 | 0 | 0 | 106 | | |
| 480 | E | 37.3 | Very low | 35.5 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | | | cis | -135.8 | 126.4 | 13.7 | -62.2 | 179.4 | 126.3 | 0 | 0 | 112.6 | | |
| 481 | E | 34.9 | Very low | 35.1 | Very low | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | | | trans | 37.1 | 106.6 | 133.1 | -92.3 | -173.1 | 112.3 | 0 | 0 | 122.7 | | |
| 482 | D | 34.1 | Very low | 35.1 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | | -60.8 | 169.3 | 129.7 | -123.4 | -19.4 | 0 | 0 | 0 | 109.5 | | |
| 483 | P | 49.4 | Very low | 35.1 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | -144.3 | 169.1 | 22.6 | 41.5 | -21.5 | 0 | 0 | 0 | 118.5 | | |
| 484 | T | 35.6 | Very low | 34.9 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | | | trans | -161.7 | 138.8 | 145.4 | -6.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 485 | G | 30.1 | Very low | 34.7 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | cis | 159.7 | 98.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 486 | C | 32.3 | Very low | 34.3 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | trans | 38.6 | 113.7 | 162.4 | -59.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 487 | E | 29.7 | Very low | 34.2 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | | | trans | -90.9 | 128 | 138.8 | -95.2 | -76.1 | 111.5 | 0 | 0 | 108.7 | | |
| 488 | G | 36 | Very low | 33.7 | Very low | 52 Ų | 52 | 131.9 Ų | 131.9 | 54% | 0.536 | 75% | 0.753 | S | S | . | * | | | trans | 124.9 | 128.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 489 | P | 38.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | | | cis | -106.6 | 152.6 | 42.8 | 38.6 | -35.1 | 0 | 0 | 0 | 113.6 | | |
| 490 | A | 25 | Very low | 32.9 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | | | cis | 77.6 | 124 | 43.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 491 | L | 29.5 | Very low | 32.4 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | 80.9 | 94.1 | 162.8 | -50.3 | -178.1 | 0 | 0 | 0 | 121 | | |
| 492 | S | 34.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | 73.3 | 165.9 | 130.7 | 79.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 493 | P | 38.8 | Very low | 32 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | | | cis | -118.1 | -168.6 | -17.4 | 38.9 | -23.9 | 0 | 0 | 0 | 112.8 | | |
| 494 | D | 27.8 | Very low | 31.1 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | trans | -75.8 | 166.6 | -175.4 | -151.9 | -47.1 | 0 | 0 | 0 | 114.7 | | |
| 495 | T | 31.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | 72.9 | 144.3 | 170.1 | 75.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 496 | S | 28.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | | | cis | -157.8 | 159.3 | 40.4 | -68.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 497 | D | 33.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 130 Ų | 130 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | trans | 72.1 | 141.1 | 150.9 | -97.5 | -35 | 0 | 0 | 0 | 118.7 | | |
| 498 | R | 27.4 | Very low | 31.1 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | | | cis | -158.4 | 152 | 7.5 | -159.9 | 149.5 | -174.1 | 98.7 | -5.9 | 114 | | |
| 499 | T | 26.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | 58.4 | 93.1 | 157 | 39.6 | 0 | 0 | 0 | 0 | 121 | | |
| 500 | A | 29.3 | Very low | 30.3 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | | | | 62 | 153.5 | 104.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 501 | Q | 27 | Very low | 30.6 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | trans | 77.3 | 130.8 | 170.7 | -86.2 | 173.5 | -93.1 | 0 | 0 | 118.6 | | |
| 502 | E | 30.1 | Very low | 30.4 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | | | trans | 65.6 | 145.2 | 138.6 | -69.6 | 149.6 | -164 | 0 | 0 | 118.3 | | |
| 503 | E | 30.2 | Very low | 30.2 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | | | cis | -159.3 | -161.4 | -9.4 | -126.4 | 165.6 | 165.7 | 0 | 0 | 109.6 | | |
| 504 | E | 32.3 | Very low | 29.8 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | | | trans | 19.7 | 149.6 | 139.6 | -65 | -170.4 | 138.2 | 0 | 0 | 121.8 | | |
| 505 | E | 30.2 | Very low | 29.9 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 71% | 0.71 | 71% | 0.706 | S | S | * | * | | | cis | -161.7 | 167.3 | 7.8 | -132 | -161.2 | 148 | 0 | 0 | 112.2 | | |
| 506 | V | 27.3 | Very low | 29.7 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | | | trans | 38.7 | 130.1 | 139.8 | 161.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 507 | L | 28.4 | Very low | 29.5 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | | | | 57.7 | 179.1 | 67.8 | -87.1 | 173.4 | 0 | 0 | 0 | 113 | | |
| 508 | P | 41.7 | Very low | 29.3 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 60% | 0.597 | 70% | 0.704 | S | S | * | * | | | cis | -110 | 149 | 1.6 | 43.2 | -31.8 | 0 | 0 | 0 | 114.7 | | |
| 509 | Q | 30 | Very low | 29.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | | | | 67.4 | 145.8 | 108.9 | -58.4 | 168.5 | -6.9 | 0 | 0 | 115.7 | | |
| 510 | S | 26.6 | Very low | 29.9 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | cis | -148 | 134.1 | 9.9 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 511 | L | 31.4 | Very low | 29.9 | Very low | 133 Ų | 133 | 140 Ų | 140 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | | | | 48.4 | 130.1 | 81.4 | -80 | 170.7 | 0 | 0 | 0 | 112.7 | E513 | L511-E513 HydrophobicContact CD2-CG 4.08Å; L511-E513 WeakPolarHBondContact CD2-OE1 2.99Å |
| 512 | Q | 26 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | | | cis | -136.1 | 143.7 | 29.4 | -68.2 | -178.8 | -97.6 | 0 | 0 | 111.1 | | |
| 513 | E | 30.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | | | | 65.3 | 142.3 | 91.7 | -50.9 | 156.9 | 166.4 | 0 | 0 | 113.1 | L511 | L511-E513 HydrophobicContact CD2-CG 4.08Å; L511-E513 WeakPolarHBondContact CD2-OE1 2.99Å |
| 514 | E | 29.9 | Very low | 30.8 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | cis | -151 | -167.6 | 14 | -144.1 | 174.9 | 116.5 | 0 | 0 | 113.2 | | |
| 515 | E | 30.8 | Very low | 31 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | | | trans | -71.8 | -162 | -176.9 | -164.6 | 178.3 | 111.8 | 0 | 0 | 114.6 | | |
| 516 | V | 27 | Very low | 31.1 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 65% | 0.648 | 75% | 0.749 | S | S | * | * | | | trans | 80.8 | 85.5 | 164.7 | -171.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 517 | T | 24.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | | 81.1 | 154.6 | 74.3 | 65.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 518 | V | 28.9 | Very low | 31.7 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | 80.8 | 120.2 | 155.6 | 160.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 519 | E | 31.5 | Very low | 31.2 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | 50.6 | 163.1 | 142 | -63.7 | 157.1 | -159 | 0 | 0 | 119.2 | | |
| 520 | E | 33.6 | Very low | 31.2 | Very low | 163 Ų | 163 | 150.7 Ų | 150.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | cis | -157.8 | -165.7 | -23.3 | -112.1 | -178.2 | 165 | 0 | 0 | 106.2 | | |
| 521 | E | 30.2 | Very low | 31.6 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | | | trans | 69.9 | 116.9 | 166.2 | -54.2 | -174 | 151.7 | 0 | 0 | 115 | | |
| 522 | E | 35.2 | Very low | 31.8 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | | 63.6 | 112.8 | 75.7 | -71.6 | -163.7 | 169.9 | 0 | 0 | 114.9 | | |
| 523 | E | 34.3 | Very low | 32.4 | Very low | 198 Ų | 198 | 157.9 Ų | 157.9 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | | -157 | 148.2 | 118.4 | -122.3 | 175.9 | 177.8 | 0 | 0 | 110.1 | | |
| 524 | E | 35.5 | Very low | 32.9 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -78.1 | 169.2 | 166.6 | -62.1 | 178.9 | 108.7 | 0 | 0 | 110.2 | | |
| 525 | E | 37.3 | Very low | 33 | Very low | 186 Ų | 186 | 158 Ų | 158 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | | -168.3 | 164.2 | 126.5 | -105.1 | -67.5 | 173.6 | 0 | 0 | 111 | | |
| 526 | E | 33 | Very low | 33.2 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -99.9 | 159.5 | -157.8 | -152.9 | -164.4 | 99.2 | 0 | 0 | 113.8 | | |
| 527 | A | 32.3 | Very low | 33.5 | Very low | 82 Ų | 82 | 157.8 Ų | 157.8 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | 63.4 | 143.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 528 | K | 35.4 | Very low | 33.8 | Very low | 198 Ų | 198 | 160.3 Ų | 160.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | cis | -162.8 | 141.9 | 33.1 | -170.1 | 170.4 | -177.9 | 171.3 | 0 | 110.6 | | |
| 529 | S | 30.7 | Very low | 34 | Very low | 103 Ų | 103 | 161.2 Ų | 161.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -82.3 | 139.3 | 173.9 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 530 | I | 30.8 | Very low | 33.9 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | 159.3 | 95.8 | 132.6 | -80.1 | 159.7 | 0 | 0 | 0 | 109.7 | | |
| 531 | E | 35.3 | Very low | 34.1 | Very low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -158 | 142.6 | 159.5 | -110.6 | 178.8 | 170 | 0 | 0 | 103.3 | | |
| 532 | E | 35.1 | Very low | 34.3 | Very low | 169 Ų | 169 | 158.3 Ų | 158.3 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | cis | -134.9 | 167 | 5.7 | -54.6 | 172.3 | 99.3 | 0 | 0 | 109.9 | | |
| 533 | E | 39.1 | Very low | 34.1 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -86.1 | 151.6 | 146.4 | -77.3 | -163 | 156.1 | 0 | 0 | 108.7 | | |
| 534 | P | 40.6 | Very low | 34.6 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -136.9 | 150.3 | 134.3 | 35.9 | -24.8 | 0 | 0 | 0 | 116.3 | | |
| 535 | E | 31.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | | | trans | -50.3 | 149.6 | -178.4 | -54.8 | 172.9 | 124.3 | 0 | 0 | 117.5 | | |
| 536 | E | 35.2 | Very low | 34 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -22.1 | 144.5 | 149.4 | -50.2 | 172.1 | 171.7 | 0 | 0 | 118 | | |
| 537 | N | 32.3 | Very low | 34 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 57% | 0.567 | 77% | 0.765 | S | S | * | * | | | | 158.1 | 156 | 106.6 | -95.3 | -81.1 | 0 | 0 | 0 | 117.5 | | |
| 538 | K | 31.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 153.8 Ų | 153.8 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | trans | 75.3 | 134.4 | 158.8 | -61.4 | 130.6 | -160.8 | 149.3 | 0 | 116.8 | | |
| 539 | V | 32.6 | Very low | 33.6 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | | | cis | 72.5 | 120.9 | 40.9 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 540 | S | 30.6 | Very low | 33.4 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | cis | -139.8 | 166.1 | 44.6 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 541 | E | 37.8 | Very low | 33.4 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | cis | 66.4 | 94.1 | 39.8 | -166.5 | -172.9 | -114.4 | 0 | 0 | 114.9 | | |
| 542 | Q | 33.9 | Very low | 33.3 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | | | trans | 178.5 | 153 | 155 | -101.8 | 170.6 | 11.3 | 0 | 0 | 109.1 | | |
| 543 | F | 30.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 146 Ų | 146 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | | | cis | -143.1 | 148.8 | 6.1 | -141.2 | -71.3 | 0 | 0 | 0 | 110.3 | | |
| 544 | I | 45.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | | | trans | -118.4 | 124.6 | 168.3 | -61.8 | 170.9 | 0 | 0 | 0 | 108.2 | | |
| 545 | Q | 30.5 | Very low | 32.3 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | 175.3 | 127.5 | 147.6 | -104.5 | 161.6 | 4.2 | 0 | 0 | 113.9 | | |
| 546 | H | 29 | Very low | 32.3 | Very low | 165 Ų | 165 | 149 Ų | 149 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | | -175.3 | 115.6 | 119.5 | -95.6 | 68.2 | 0 | 0 | 0 | 105.8 | | |
| 547 | I | 33.8 | Very low | 32.1 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | | 79.7 | 136.6 | 84.4 | -78.8 | 177.9 | 0 | 0 | 0 | 113 | | |
| 548 | Q | 30.1 | Very low | 32.2 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | cis | -178.3 | 145 | -28.6 | -139.2 | 173.7 | -13.3 | 0 | 0 | 110.1 | | |
| 549 | H | 28.5 | Very low | 32 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | | | trans | 61.7 | 164.8 | 177.2 | -64.7 | -93.2 | 0 | 0 | 0 | 114.9 | | |
| 550 | T | 27 | Very low | 31.8 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | cis | -115.3 | 157.9 | 3.3 | 46.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 551 | A | 30.3 | Very low | 31.7 | Very low | 52 Ų | 52 | 153.9 Ų | 153.9 | 43% | 0.43 | 76% | 0.759 | S | S | . | * | | | cis | 93.6 | 134.9 | 22.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 552 | E | 32.1 | Very low | 31.3 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | trans | 63 | 145 | 176.6 | -68.7 | 63.8 | -87.3 | 0 | 0 | 115 | | |
| 553 | E | 31.8 | Very low | 30.9 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | cis | -153 | 145.1 | -4.7 | -96.4 | 145.6 | -176.9 | 0 | 0 | 106.8 | | |
| 554 | E | 31.6 | Very low | 30.8 | Very low | 189 Ų | 189 | 151 Ų | 151 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | | 62.3 | 144.6 | 101.8 | -55.7 | -176.6 | -175.8 | 0 | 0 | 115 | | |
| 555 | E | 31 | Very low | 29.9 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | cis | -156.2 | -176.1 | 44 | -165.5 | 168.1 | -153.8 | 0 | 0 | 113.2 | | |
| 556 | E | 32.1 | Very low | 29.9 | Very low | 182 Ų | 182 | 148 Ų | 148 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | | | trans | -81.2 | 177.1 | 167.1 | -61 | 175.4 | 118.3 | 0 | 0 | 112.4 | | |
| 557 | V | 30.8 | Very low | 29.8 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | 163.4 | 146.8 | 130.4 | 157.1 | 0 | 0 | 0 | 0 | 112 | | |
| 558 | E | 34.5 | Very low | 29.5 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | | | trans | -119.5 | 119.4 | 175.3 | 176 | 177.4 | -146.9 | 0 | 0 | 109.6 | | |
| 559 | S | 27.3 | Very low | 29.6 | Very low | 89 Ų | 89 | 151 Ų | 151 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | | | trans | -171.6 | 125.5 | 171.2 | 54.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 560 | E | 28.4 | Very low | 29.6 | Very low | 181 Ų | 181 | 152.9 Ų | 152.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | | 64.9 | 117.4 | 64.6 | -66.8 | -164.5 | 135.2 | 0 | 0 | 114.5 | | |
| 561 | E | 29.3 | Very low | 29.8 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | | | trans | 61 | 158.2 | 160.7 | -64.6 | -168.3 | 135.9 | 0 | 0 | 118.1 | | |
| 562 | E | 28.8 | Very low | 29.8 | Very low | 141 Ų | 141 | 157.8 Ų | 157.8 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | | | cis | -150.7 | -176 | -10.3 | -134.8 | -140.7 | 101.1 | 0 | 0 | 111.3 | | |
| 563 | N | 26.5 | Very low | 29.8 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | | | trans | -57.5 | 141.6 | 175.1 | -58.5 | -80.6 | 0 | 0 | 0 | 115.5 | | |
| 564 | Q | 28.5 | Very low | 30 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | | -179.6 | 127.1 | 114.1 | -94 | 153.1 | 76.5 | 0 | 0 | 112.3 | | |
| 565 | T | 26.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | | 78.8 | 143.8 | 62.9 | -28 | 0 | 0 | 0 | 0 | 115.7 | | |
| 566 | I | 29.6 | Very low | 30.5 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | 79.6 | 114.6 | 163.7 | -53 | 169.4 | 0 | 0 | 0 | 116.9 | | |
| 567 | N | 26.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | | -164.8 | 104.2 | 119.7 | -103.1 | -60.9 | 0 | 0 | 0 | 112.8 | | |
| 568 | Q | 29.2 | Very low | 30.4 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | | | | -150.4 | 139.6 | 118.7 | -121 | 159.4 | 103.9 | 0 | 0 | 111.2 | | |
| 569 | E | 30.7 | Very low | 30.3 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -107.4 | 121.4 | -165.2 | 171.7 | -167.3 | 141.4 | 0 | 0 | 109.6 | V571 | E569-V571 HydrophobicContact CG-CG2 4.46Š|
| 570 | E | 29.5 | Very low | 31 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -147.1 | 147.6 | 147.9 | -158.5 | 163.3 | -160.6 | 0 | 0 | 109.6 | | |
| 571 | V | 30.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | -135.5 | 148.8 | -157.1 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | E569 | E569-V571 HydrophobicContact CG-CG2 4.46Š|
| 572 | E | 30.6 | Very low | 31.9 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | 75 | 142.2 | 168 | -82.6 | 166.9 | -157 | 0 | 0 | 119.8 | | |
| 573 | G | 33.1 | Very low | 32.5 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 135.4 | 39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 574 | E | 35.1 | Very low | 33.2 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 57% | 0.57 | 77% | 0.772 | S | S | * | * | | | | 75.1 | 134.6 | 71.4 | -154.4 | -155.3 | 142.4 | 0 | 0 | 114.8 | | |
| 575 | R | 34 | Very low | 33.8 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | trans | 61.3 | 104.7 | 156.3 | 59 | -177.6 | 134.3 | 57.2 | 11.9 | 121.9 | | |
| 576 | D | 39.2 | Very low | 34.7 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | | 38 | 120.3 | 106 | -177.4 | 33.3 | 0 | 0 | 0 | 120 | | |
| 577 | S | 32.9 | Very low | 35.5 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | 179 | 139.2 | 135.2 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 578 | G | 27 | Very low | 36.2 | Very low | 81 Ų | 81 | 153 Ų | 153 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | 155.1 | 116.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 579 | E | 33.1 | Very low | 36.7 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | -107.3 | 152.6 | -174.7 | -60.7 | 160.4 | 131.5 | 0 | 0 | 112 | | |
| 580 | E | 42.5 | Very low | 37 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | trans | 40.4 | 151.5 | 145.7 | -66 | 174.1 | -167.8 | 0 | 0 | 120.7 | | |
| 581 | E | 37.5 | Very low | 37.6 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | cis | -143.5 | 151.4 | 40.3 | -61.2 | 171.3 | 151.9 | 0 | 0 | 113.2 | | |
| 582 | E | 38.6 | Very low | 38.1 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | | | trans | 42.7 | 143.5 | 138.5 | -61.1 | 178.5 | 179.9 | 0 | 0 | 122.1 | | |
| 583 | E | 41.5 | Very low | 38.5 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -166 | 167.9 | -4 | -122.3 | 177.7 | 177.5 | 0 | 0 | 111.2 | | |
| 584 | E | 40.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 58 | 123 | 154.4 | -74.2 | -177.4 | 178.6 | 0 | 0 | 120.6 | | |
| 585 | E | 42.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | | 75.9 | 144.2 | 84.6 | -92.1 | -179 | -165.9 | 0 | 0 | 114.6 | | |
| 586 | E | 45 | Very low | 40.2 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -163.5 | -175.3 | 0.3 | -149.9 | -177.1 | -169.7 | 0 | 0 | 111.1 | | |
| 587 | E | 45.4 | Very low | 39.9 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | | | trans | 85 | 145.4 | 148.1 | -65.2 | -100.7 | 81.2 | 0 | 0 | 125.5 | | |
| 588 | E | 41.9 | Very low | 40 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | | | trans | 41.7 | 108.5 | 154.7 | -64.5 | -155.4 | 122.7 | 0 | 0 | 127.1 | | |
| 589 | A | 39 | Very low | 40.3 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | | 56.1 | 163.7 | 97.3 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 590 | V | 38.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | 81.6 | 145.8 | 162.3 | 178.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 591 | E | 41.9 | Very low | 40.1 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | cis | 179.8 | -178.3 | -27.8 | -162.1 | -165.5 | 128 | 0 | 0 | 109 | | |
| 592 | V | 40.7 | Very low | 39.9 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | | | trans | 78.3 | 141.1 | 155.9 | 172.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 593 | K | 39.6 | Very low | 39.6 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | | | cis | -175.5 | -165 | -15.9 | -99.7 | -122.8 | -178.7 | 179.8 | 0 | 108.6 | | |
| 594 | E | 35.2 | Very low | 39.1 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 60% | 0.603 | 68% | 0.681 | S | S | * | * | | | cis | -148.6 | -124.5 | 11.1 | -168.1 | 50 | -62 | 0 | 0 | 113.3 | | |
| 595 | E | 36.8 | Very low | 38.6 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | | | trans | -166.2 | -171.7 | -161.1 | -99.8 | -171.3 | 136 | 0 | 0 | 108.9 | | |
| 596 | P | 65.2 | Low | 38.3 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | | | cis | -143.5 | -164.1 | -49.5 | 44.7 | -26.3 | 0 | 0 | 0 | 115.1 | | |
| 597 | E | 31.9 | Very low | 37.8 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | | | trans | 65.1 | 167.2 | 154.1 | -71.5 | -177.2 | 128.2 | 0 | 0 | 121.6 | | |
| 598 | A | 36.3 | Very low | 37.4 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 67% | 0.674 | S | S | * | * | | | cis | 175.7 | 177.1 | -38.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 599 | V | 33.2 | Very low | 37 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 70% | 0.703 | 67% | 0.671 | S | S | * | * | | | cis | -167.9 | 161.8 | 2.6 | 73.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 600 | D | 35.1 | Very low | 37 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | | | trans | 63.8 | 171.9 | 164.4 | -60.8 | -28.1 | 0 | 0 | 0 | 117.6 | | |
| 601 | E | 36.7 | Very low | 36.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 60% | 0.598 | 66% | 0.659 | S | S | * | * | | | cis | -167.6 | 121.1 | -27.8 | -111.5 | -157.4 | 121.8 | 0 | 0 | 111.1 | E833 | E601-E833 VanDerWaalsContact C-OE2 3.31Š|
| 602 | K | 33.4 | Very low | 36.6 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 55% | 0.548 | 66% | 0.664 | S | S | . | * | | | | 93 | 112.5 | 117.5 | -164.1 | 170.6 | -179.3 | 169.2 | 0 | 124.5 | E833 E834 | K602-E833 PolarHBondContact N-OE2 2.89Å; K602-E834 VanDerWaalsContact C-OE2 3.29Å; K602-E834 VanDerWaalsContact CA-CD 3.47Å; K602-E834 WeakPolarHBondContact CA-OE2 3.44Å; K602-E834 VanDerWaalsContact N-CD 3.29Å; K602-E834 PolarHBondContact N-OE1 3.45Å; K602-E834 PolarHBondContact N-OE2 3.23Å |
| 603 | C | 31.1 | Very low | 36.1 | Very low | 53 Ų | 53 | 130.4 Ų | 130.4 | 36% | 0.358 | 67% | 0.669 | S | S | . | * | | | trans | 89.9 | 128 | 137.4 | -84.5 | 0 | 0 | 0 | 0 | 125.1 | E834 E835 | C603-E834 PolarHBondContact N-OE2 3.2Å; C603-E835 WeakPolarHBondContact CA-O 3.46Å |
| 604 | Q | 32.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 129 Ų | 129 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | | | | 103.2 | 126.5 | 121 | -83.6 | 168.7 | 56.3 | 0 | 0 | 123.3 | E835 | Q604-E835 PolarHBondContact N-O 3.47Š|
| 605 | N | 28.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 59% | 0.588 | 69% | 0.686 | S | S | * | * | | | | 95 | 128.5 | 128.5 | -85.5 | 27 | 0 | 0 | 0 | 123.4 | | |
| 606 | E | 35.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 77% | 0.771 | 68% | 0.683 | S | S | * | * | | | trans | 71.1 | 152 | 135.4 | -66.8 | -178.6 | 115.2 | 0 | 0 | 118.5 | | |
| 607 | V | 35.5 | Very low | 33 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 62% | 0.624 | 69% | 0.691 | S | S | * | * | | | cis | -166.7 | 174.2 | -10.1 | 123 | 0 | 0 | 0 | 0 | 110 | | |
| 608 | E | 36.3 | Very low | 32.9 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | | | trans | 74.7 | 127.8 | 164.4 | -90.1 | 157.6 | -147.2 | 0 | 0 | 117.3 | | |
| 609 | E | 35.1 | Very low | 32.8 | Very low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | | | | 77 | 144.1 | 81.3 | -77.5 | -157.2 | -165.5 | 0 | 0 | 113.8 | | |
| 610 | R | 38.2 | Very low | 32.6 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 64% | 0.638 | 69% | 0.693 | S | S | * | * | | | cis | 177.8 | 171.6 | -2.5 | 157.5 | 176.2 | 158.9 | -140.6 | -21.4 | 111.2 | | |
| 611 | E | 36.5 | Very low | 32.4 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | | | trans | 67.5 | 123.2 | 162.4 | -89.5 | 155 | -165.1 | 0 | 0 | 116.7 | | |
| 612 | E | 34.9 | Very low | 32.1 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | | | | 87.5 | 148.4 | 78.5 | -84.7 | -152.9 | 144 | 0 | 0 | 114.9 | | |
| 613 | G | 31 | Very low | 31.8 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | 86.1 | 157.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 614 | S | 28.1 | Very low | 32.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | | | cis | -145.4 | 179.8 | -10.9 | -164.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 615 | C | 25.2 | Very low | 32.2 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | trans | -90.5 | -178.4 | -179.6 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 616 | V | 29.5 | Very low | 32.5 | Very low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | 102.1 | 132 | 154.7 | -171.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 617 | E | 28.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | 44.5 | 136.3 | 163.5 | -73.2 | 131.4 | -153.8 | 0 | 0 | 120.4 | | |
| 618 | V | 30.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | cis | 84.1 | 135.1 | 39.8 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 619 | E | 33.5 | Very low | 32.6 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | 72 | 153.2 | -169.1 | -55.7 | -164 | 152.5 | 0 | 0 | 114.1 | | |
| 620 | E | 29.9 | Very low | 32.7 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | cis | -160.4 | 148.6 | -21.2 | -118.8 | -151.7 | 141.8 | 0 | 0 | 110.4 | | |
| 621 | V | 29.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 142 Ų | 142 | 58% | 0.576 | 75% | 0.753 | S | S | * | * | | | trans | 63.1 | 162.2 | 140.6 | 170.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 622 | R | 30.7 | Very low | 32.4 | Very low | 190 Ų | 190 | 144.5 Ų | 144.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | 78.5 | 114.6 | 178 | -82.6 | 166 | 165.8 | 63.5 | 25.8 | 116.4 | | |
| 623 | D | 27.4 | Very low | 32.6 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | | | cis | 89.4 | 154.2 | 40 | -58.8 | -47.7 | 0 | 0 | 0 | 112.4 | | |
| 624 | E | 37.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | 68.7 | 98.6 | 174.8 | -62.7 | 145.4 | -138 | 0 | 0 | 113.2 | | |
| 625 | E | 34.6 | Very low | 33.4 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | | | | 80.6 | 149.6 | 61.5 | -68.4 | -156.4 | 128 | 0 | 0 | 115.1 | | |
| 626 | E | 34.5 | Very low | 34.2 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | | | trans | 66.1 | 149.5 | 175.8 | -68.7 | -177.2 | 171.2 | 0 | 0 | 116.9 | | |
| 627 | A | 36.7 | Very low | 34.8 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | cis | -157.5 | 152.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 628 | E | 33.3 | Very low | 35.7 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | | | trans | 43.8 | 167.3 | 139.3 | -58.4 | -173.8 | 161.8 | 0 | 0 | 123.8 | | |
| 629 | E | 39 | Very low | 35.7 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | 68.2 | 148.7 | 168.7 | -60.6 | -155.6 | 144.1 | 0 | 0 | 118.3 | | |
| 630 | E | 36.9 | Very low | 36 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | cis | -160.5 | -167.1 | -18.7 | -115.6 | -61.2 | 140.3 | 0 | 0 | 109.3 | | |
| 631 | A | 36.3 | Very low | 36.2 | Very low | 70 Ų | 70 | 145.3 Ų | 145.3 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | | | trans | -5.2 | 138.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 632 | E | 33.6 | Very low | 36.2 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | | 65.5 | 151.8 | 60.3 | -76 | -77.6 | -174.2 | 0 | 0 | 114.4 | | |
| 633 | A | 38.6 | Very low | 36.4 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | 71.7 | 148.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 634 | E | 37.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | cis | -142.4 | 141.1 | -13.2 | -66.2 | -157 | 133.5 | 0 | 0 | 106.7 | | |
| 635 | D | 38.9 | Very low | 37.7 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | | 87.4 | 177.5 | 73.2 | -151.7 | 7.3 | 0 | 0 | 0 | 113.9 | | |
| 636 | E | 41.3 | Very low | 37.8 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | | | trans | 79.3 | 135.2 | 166.8 | -55.6 | -164.4 | -133.5 | 0 | 0 | 119.7 | | |
| 637 | E | 41.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | | | cis | -158.8 | 161.6 | -21 | -113.1 | -109.6 | 111.8 | 0 | 0 | 112 | | |
| 638 | E | 47.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 53% | 0.533 | 75% | 0.745 | S | S | . | * | | | trans | 28.8 | 142.5 | 149.8 | -128.1 | -155.1 | 165.1 | 0 | 0 | 124.7 | T640 | E638-T640 WeakPolarHBondContact OE1-CG2 2.68Š|
| 639 | M | 31.1 | Very low | 38.1 | Very low | 144 Ų | 144 | 139 Ų | 139 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | | | | 176.2 | 104.2 | 110.3 | -94 | -72.9 | 165.5 | 0 | 0 | 113.2 | | |
| 640 | T | 39.2 | Very low | 38.2 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | | | trans | 47.5 | 164.6 | 133.9 | 64 | 0 | 0 | 0 | 0 | 121.4 | E638 | E638-T640 WeakPolarHBondContact OE1-CG2 2.68Š|
| 641 | E | 34.2 | Very low | 38.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | cis | -154.2 | 165.8 | 9.7 | -154.6 | -172.7 | 177.5 | 0 | 0 | 110 | | |
| 642 | G | 29.7 | Very low | 39.1 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | 141.2 | 92.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 643 | I | 34.8 | Very low | 39.1 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 82% | 0.821 | 74% | 0.739 | S | S | * | * | | | trans | -97.2 | -170.6 | -168.6 | -23 | 179 | 0 | 0 | 0 | 113 | | |
| 644 | P | 63.5 | Low | 38.8 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | | -112.5 | -170.5 | -115.8 | 44.3 | -28.6 | 0 | 0 | 0 | 115.7 | | |
| 645 | D | 29.1 | Very low | 38.6 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | | -173.8 | 164.8 | 114.1 | -131.9 | -29.8 | 0 | 0 | 0 | 116.5 | | |
| 646 | A | 37.2 | Very low | 38.3 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 56% | 0.562 | 73% | 0.731 | S | S | * | * | | | trans | 52.1 | 112.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 126.1 | | |
| 647 | E | 34.1 | Very low | 37.9 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | | | | 66.9 | 167.6 | 116.2 | -64.8 | 171.9 | -155.2 | 0 | 0 | 124.1 | | |
| 648 | D | 38.3 | Very low | 37.5 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | 60.1 | 125 | -166.9 | -82 | -1 | 0 | 0 | 0 | 116.8 | | |
| 649 | E | 38.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | 92.9 | 163.1 | 33.9 | -72.3 | -73.3 | -177.5 | 0 | 0 | 115.8 | | |
| 650 | E | 40.7 | Very low | 37 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | | | trans | 78.8 | 71.4 | 175.7 | -55.2 | -85.4 | 124.1 | 0 | 0 | 118.5 | | |
| 651 | D | 38.7 | Very low | 36.7 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | | -66.7 | 153.3 | 127.4 | -164 | 47.9 | 0 | 0 | 0 | 106.5 | | |
| 652 | P | 52.7 | Low | 36.8 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | | | cis | -154 | -165.6 | 37.6 | 30.9 | -2.2 | 0 | 0 | 0 | 117.7 | | |
| 653 | T | 34 | Very low | 37.1 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | 101.5 | 155.2 | 144.6 | 73.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 654 | A | 32.6 | Very low | 37.3 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | cis | 178.1 | 150.3 | -41 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 655 | S | 33.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | 64 | 161.6 | 156.3 | -87.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 656 | S | 32.4 | Very low | 36.6 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | | | cis | -148 | 161.3 | -9.2 | -105.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 657 | I | 32.3 | Very low | 37 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | | 47.5 | 126.6 | 76.2 | -90.7 | 174.6 | 0 | 0 | 0 | 111.9 | | |
| 658 | L | 32.9 | Very low | 37.2 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | | | cis | -170.9 | -169.1 | -11.1 | -138.7 | -177.9 | 0 | 0 | 0 | 106.4 | | |
| 659 | E | 33.3 | Very low | 37.4 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | 71.7 | 142.2 | 145.3 | -75.6 | -73.5 | 75.4 | 0 | 0 | 121.3 | | |
| 660 | E | 34.4 | Very low | 37.4 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | trans | 57.2 | 143.4 | 159.2 | -12.9 | -168.1 | -133.6 | 0 | 0 | 121.8 | | |
| 661 | G | 33.2 | Very low | 37.3 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | 158.6 | 102.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 662 | E | 37.6 | Very low | 37.4 | Very low | 200 Ų | 200 | 126.4 Ų | 126.4 | 94% | 0.935 | 74% | 0.74 | S | S | * | * | | | trans | -57.6 | 157 | 147 | -67.8 | 143 | 99.4 | 0 | 0 | 109.4 | | |
| 663 | G | 35.6 | Very low | 36.7 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | | | cis | 131.4 | 150.6 | 15.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 664 | D | 37.9 | Very low | 36.9 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | | | trans | 62.2 | 138.5 | 168.5 | -64.6 | -36.2 | 0 | 0 | 0 | 121.6 | | |
| 665 | D | 40.1 | Very low | 37 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | 64.5 | 158.6 | 145.7 | -59.1 | -20.2 | 0 | 0 | 0 | 121.3 | | |
| 666 | D | 38.3 | Very low | 37.1 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | cis | -138.7 | 171.3 | 3.5 | -164.9 | 14.3 | 0 | 0 | 0 | 112.7 | | |
| 667 | A | 44.9 | Very low | 38 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 59% | 0.587 | 75% | 0.752 | S | S | * | * | | | trans | -69.3 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 668 | T | 39.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | | 166.7 | 166.8 | 91.1 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 669 | L | 41.5 | Very low | 37.8 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | | | cis | -165 | 124.9 | -25.3 | -95 | 169.2 | 0 | 0 | 0 | 105.6 | | |
| 670 | E | 39.7 | Very low | 37.8 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | | 99 | 164.4 | 91.8 | -165.7 | 168.7 | -131 | 0 | 0 | 114.7 | | |
| 671 | T | 38.2 | Very low | 37.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 74.1 | 121.6 | -177.6 | 69.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 672 | D | 40 | Very low | 37.9 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | cis | 82.8 | 98.4 | 5.9 | -143.2 | -39.3 | 0 | 0 | 0 | 117.6 | | |
| 673 | D | 37.9 | Very low | 37.7 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | -177.4 | 172.6 | 154.8 | -108 | -21.9 | 0 | 0 | 0 | 108.5 | | |
| 674 | Q | 39.3 | Very low | 37.5 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | | -166.2 | 164 | -72.8 | -110.4 | -169.5 | 111.4 | 0 | 0 | 110.2 | | |
| 675 | I | 33.2 | Very low | 37.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | | | trans | 79.4 | 148.1 | 152.3 | -71.7 | 158.2 | 0 | 0 | 0 | 120 | | |
| 676 | L | 37.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 135 Ų | 135 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | -91.1 | -178.2 | -179.5 | -69.6 | 160.8 | 0 | 0 | 0 | 112.1 | | |
| 677 | P | 49.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | | -129.7 | 154.7 | 95.9 | 42.3 | -35.2 | 0 | 0 | 0 | 111 | | |
| 678 | E | 32 | Very low | 36.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 72% | 0.715 | S | S | * | * | | | cis | 64.7 | 128.1 | 47.1 | -165 | 173.9 | -135.5 | 0 | 0 | 111.9 | | |
| 679 | G | 30.7 | Very low | 36.1 | Very low | 57 Ų | 57 | 134.8 Ų | 134.8 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | | | cis | 175.6 | 169.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 680 | N | 31.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 70% | 0.695 | 71% | 0.714 | S | S | * | * | | | trans | 162.9 | 124.1 | 153.2 | -90.4 | 12 | 0 | 0 | 0 | 109.8 | | |
| 681 | E | 34.6 | Very low | 35.3 | Very low | 148 Ų | 148 | 130 Ų | 130 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | | 87.4 | 135.7 | 83 | 104.1 | -160.6 | 138.8 | 0 | 0 | 110.7 | | |
| 682 | E | 35.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 128 Ų | 128 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | | | cis | -140.2 | 137.9 | 9.1 | -95 | 163.3 | -168.1 | 0 | 0 | 108.4 | | |
| 683 | Q | 33.2 | Very low | 34.7 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 66% | 0.659 | 71% | 0.711 | S | S | * | * | | | | 85.5 | 131.7 | 86.7 | -158.5 | 174.3 | 18.2 | 0 | 0 | 115.7 | | |
| 684 | E | 33 | Very low | 34.5 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | | | trans | 22.2 | 144 | 154 | -53.7 | 160.3 | -143 | 0 | 0 | 121 | | |
| 685 | V | 34.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | | | cis | -159.7 | 158.7 | 45.3 | -82.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 686 | L | 33.9 | Very low | 34.2 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | trans | 17 | 151.1 | 131.7 | -45.4 | 176.1 | 0 | 0 | 0 | 120.2 | | |
| 687 | N | 33.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | | | cis | -161.2 | 148 | 23.5 | -149.2 | 37.8 | 0 | 0 | 0 | 116.2 | | |
| 688 | E | 35.1 | Very low | 33.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 52% | 0.523 | 73% | 0.728 | S | S | . | * | | | trans | 26.6 | 131.8 | 142.7 | -70.5 | -174.3 | 116.9 | 0 | 0 | 126.1 | | |
| 689 | N | 33.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | | | | 75.2 | 127 | 126.9 | -62.8 | -27.7 | 0 | 0 | 0 | 123.4 | | |
| 690 | S | 35.1 | Very low | 33.3 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | | | trans | 56.8 | 136.1 | 143.8 | 55 | 0 | 0 | 0 | 0 | 120.8 | | |
| 691 | G | 29.9 | Very low | 33.4 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | cis | 127.9 | 137.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 692 | A | 33.5 | Very low | 33.4 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | trans | 64.6 | 152.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 693 | E | 31.7 | Very low | 33.1 | Very low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | | | cis | -159 | 177.9 | -22.5 | -114.7 | 159.3 | -106.3 | 0 | 0 | 106.1 | | |
| 694 | E | 34 | Very low | 33.3 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | | | trans | 63.6 | 174.9 | 171 | -64.9 | 163 | -168.4 | 0 | 0 | 115.5 | | |
| 695 | E | 31.7 | Very low | 33.2 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | | | | -152.1 | 174.2 | -52.1 | -106.3 | -176.2 | 170.3 | 0 | 0 | 107.8 | | |
| 696 | E | 33.7 | Very low | 32.9 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | trans | 63 | 131.4 | 169.4 | -67.7 | 177.9 | 165.4 | 0 | 0 | 116.6 | | |
| 697 | E | 31.2 | Very low | 32.8 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | | | | 72.8 | 90.8 | 58.7 | -68.7 | -163 | -166.1 | 0 | 0 | 115.1 | | |
| 698 | E | 37.5 | Very low | 32.7 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -174.8 | 138.5 | 130.9 | -96.1 | -169.5 | 136 | 0 | 0 | 105.4 | | |
| 699 | E | 29.7 | Very low | 32.3 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | | | | 49.9 | 143 | 64.9 | -75.7 | -155.3 | 98.7 | 0 | 0 | 112.8 | | |
| 700 | V | 31.9 | Very low | 32 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | | | cis | -148.2 | 179.6 | 12.1 | -130 | 0 | 0 | 0 | 0 | 109.7 | | |
| 701 | E | 33.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | | | trans | 71.6 | 144.7 | 151.3 | -78.7 | 172.3 | 155.8 | 0 | 0 | 119.2 | Q703 | E701-Q703 HydrophobicContact CG-CB 4.06Å; E701-Q703 HydrophobicContact CG-CG 3.67Å; E701-Q703 VanDerWaalsContact CG-NE2 3.25Å; E701-Q703 PolarHBondContact OE1-NE2 3.48Å |
| 702 | L | 35.7 | Very low | 32.1 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | cis | -104.2 | 128.1 | 2.4 | -67 | 164.5 | 0 | 0 | 0 | 108.9 | | |
| 703 | Q | 28.5 | Very low | 32 | Very low | 71 Ų | 71 | 150.4 Ų | 150.4 | 33% | 0.332 | 73% | 0.734 | S | S | . | * | | | | 50.7 | 90 | 52.7 | -61.7 | -147.2 | 88.5 | 0 | 0 | 114.1 | E701 | E701-Q703 HydrophobicContact CG-CB 4.06Å; E701-Q703 HydrophobicContact CG-CG 3.67Å; E701-Q703 VanDerWaalsContact CG-NE2 3.25Å; E701-Q703 PolarHBondContact OE1-NE2 3.48Å |
| 704 | D | 36.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 147.7 Ų | 147.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | | -158.5 | 131.9 | 103.1 | -91.2 | -29.3 | 0 | 0 | 0 | 108.2 | | |
| 705 | R | 31.3 | Very low | 32.7 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | | | | 65.5 | 116.8 | 54.6 | -59.8 | -178.1 | 175.4 | -164 | 3.5 | 110.7 | | |
| 706 | K | 28.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | | | | 66.2 | 99.3 | 64 | -174.4 | -167.2 | 170.1 | -174.2 | 0 | 111.4 | | |
| 707 | S | 32.5 | Very low | 32.8 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | trans | -135.9 | 118.8 | 148.5 | -50.3 | 0 | 0 | 0 | 0 | 103.9 | | |
| 708 | E | 30.4 | Very low | 33 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | | | | 64.5 | 116 | 80.6 | -74.8 | 169.2 | 76.8 | 0 | 0 | 111 | | |
| 709 | D | 27.6 | Very low | 32.8 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | | | | 106.3 | 157.6 | 55.5 | -168.6 | 74.4 | 0 | 0 | 0 | 107.9 | | |
| 710 | V | 28.1 | Very low | 33 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | | | trans | 70.8 | 156.8 | 165.2 | 102.5 | 0 | 0 | 0 | 0 | 119 | | |
| 711 | E | 36.7 | Very low | 33.2 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | | | trans | 55.5 | 101.9 | 174.3 | -63.5 | -69.9 | 78.8 | 0 | 0 | 117.3 | | |
| 712 | R | 29.5 | Very low | 33.2 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | | 89.4 | 138.4 | 62.4 | 173.9 | 170.9 | -82 | -113.8 | -11.2 | 112.6 | | |
| 713 | S | 32.1 | Very low | 33.2 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | | | trans | -55.8 | 163.8 | 176.7 | -39.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 714 | P | 48.4 | Very low | 33.5 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | | -125.1 | 155.2 | 110.6 | 36.3 | -33.5 | 0 | 0 | 0 | 114.6 | | |
| 715 | D | 32.3 | Very low | 33.7 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | 32.9 | 139.3 | 151.6 | -66.3 | -112.6 | 0 | 0 | 0 | 123.3 | | |
| 716 | G | 33.5 | Very low | 33.9 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | | | cis | 153.2 | 164.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 717 | N | 34.1 | Very low | 34.4 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | trans | 72 | 140.7 | 167.2 | -40.7 | -69.3 | 0 | 0 | 0 | 114.4 | | |
| 718 | Q | 35 | Very low | 34.6 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | cis | -129.3 | 158.1 | 7.7 | -54 | 170.7 | -77.7 | 0 | 0 | 107.1 | | |
| 719 | S | 34 | Very low | 34.7 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | | | cis | 52.5 | 145.8 | 44.5 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 720 | E | 33.1 | Very low | 35 | Very low | 142 Ų | 142 | 130 Ų | 130 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | cis | -140.1 | 168.9 | -6.3 | 40.9 | -108.7 | 59.3 | 0 | 0 | 105.6 | | |
| 721 | D | 35.6 | Very low | 35.4 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | cis | -154.1 | 170.6 | 40.4 | -76.5 | -66.3 | 0 | 0 | 0 | 108.8 | | |
| 722 | D | 34.3 | Very low | 36 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | | | | 45 | 136.5 | 70.3 | -97.8 | -149 | 0 | 0 | 0 | 114.1 | | |
| 723 | V | 36.5 | Very low | 35.9 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | | | cis | -152.8 | 142.1 | 15.4 | -114.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 724 | E | 34.8 | Very low | 36 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | | 66.8 | 158.3 | 124.7 | -141.4 | -164 | 162.1 | 0 | 0 | 124 | | |
| 725 | L | 40.2 | Very low | 35.3 | Very low | 139 Ų | 139 | 128 Ų | 128 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | | | trans | 87.6 | 103.3 | 159.2 | -54.6 | 176.3 | 0 | 0 | 0 | 120.9 | | |
| 726 | G | 34 | Very low | 35.4 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | | | trans | 139.4 | 104.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 727 | K | 39.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | cis | 64.7 | 117.3 | 49.3 | -53.1 | 174.4 | -174.8 | 170 | 0 | 112 | | |
| 728 | D | 36.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | | | cis | -148.2 | 169.7 | -2.3 | -59.2 | -63.4 | 0 | 0 | 0 | 107 | | |
| 729 | G | 33.6 | Very low | 35.4 | Very low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | | | cis | 118.5 | 84.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 730 | T | 33.3 | Very low | 35.3 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 87% | 0.865 | 73% | 0.731 | S | S | * | * | | | trans | -173.8 | 130.5 | 155.2 | -79 | 0 | 0 | 0 | 0 | 113.1 | | |
| 731 | S | 36 | Very low | 35.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | | | trans | -128.6 | 176.6 | 148.9 | -47.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 732 | P | 50.9 | Low | 35.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | cis | -137.4 | -136.5 | 7.7 | 43.6 | -23.4 | 0 | 0 | 0 | 112 | | |
| 733 | L | 27.4 | Very low | 35.3 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | | | trans | 116.9 | 116.7 | 134.2 | -150.3 | 73.3 | 0 | 0 | 0 | 117.7 | | |
| 734 | I | 32.2 | Very low | 35.2 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | trans | 48.7 | 149.1 | 138.2 | -53.8 | 175.4 | 0 | 0 | 0 | 118 | | |
| 735 | E | 35 | Very low | 34.9 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | cis | -137 | 160.7 | 28.1 | -119.8 | 114.4 | 174.1 | 0 | 0 | 109.3 | | |
| 736 | E | 34 | Very low | 34.5 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | | 46.3 | 141.2 | 78.8 | -57.3 | -154.7 | 122.6 | 0 | 0 | 116 | | |
| 737 | K | 34.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 57% | 0.57 | 77% | 0.769 | S | S | * | * | | | cis | -162.8 | 154.9 | -6.4 | -121 | 178.3 | -179.6 | -73.6 | 0 | 112.6 | | |
| 738 | E | 34.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | 13.4 | 136.5 | 143.3 | -65.7 | 148.9 | -151.8 | 0 | 0 | 124.1 | | |
| 739 | A | 34.1 | Very low | 33.6 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | | -166.4 | 113 | 129.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 740 | E | 32.1 | Very low | 33.3 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | | 80.1 | 136.3 | 77 | -81.6 | -171.8 | -168.4 | 0 | 0 | 114.6 | | |
| 741 | A | 35.1 | Very low | 33.4 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | | | cis | -159.2 | 158.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 742 | E | 31.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | 55.2 | 163.2 | 140.6 | -70.2 | 167.8 | -169.6 | 0 | 0 | 120.9 | | |
| 743 | E | 35.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | cis | -137.2 | 176 | 12.2 | -151.7 | -161.9 | 164.2 | 0 | 0 | 112.3 | | |
| 744 | E | 33.9 | Very low | 33.7 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | -80.7 | -172.9 | 177.4 | -54.9 | -167.6 | 129.2 | 0 | 0 | 114 | | |
| 745 | G | 29.5 | Very low | 33.5 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 158.4 | 87.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 746 | C | 31.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -118.7 | 128.3 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 747 | V | 28.5 | Very low | 33.3 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -160.4 | 163.7 | 160.7 | -97.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 748 | S | 31.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -144.9 | 163.1 | -177.7 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 749 | S | 30.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 100.2 | 124 | 159.4 | -49.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 750 | R | 28.1 | Very low | 32.4 | Very low | 230 Ų | 230 | 146 Ų | 146 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | 53.4 | 118.9 | 139.5 | -76.8 | -178.2 | 163.2 | -164.3 | -4.4 | 123.6 | | |
| 751 | L | 34.8 | Very low | 32.3 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | | 28 | 157.4 | 115.9 | -56.9 | 174.2 | 0 | 0 | 0 | 121.6 | | |
| 752 | P | 50.3 | Low | 31.9 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | cis | -125.4 | -164.6 | -29.7 | 40.1 | -22.1 | 0 | 0 | 0 | 111.4 | | |
| 753 | P | 44.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | | -156.7 | -154.8 | 87.9 | 43.7 | -21.3 | 0 | 0 | 0 | 116.4 | | |
| 754 | L | 26.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | trans | -112.4 | 161.9 | -152.2 | -84.2 | 168.3 | 0 | 0 | 0 | 117.8 | | |
| 755 | L | 27.2 | Very low | 31.2 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | 79.3 | 122.9 | 144.7 | -70.3 | 155.8 | 0 | 0 | 0 | 124.7 | | |
| 756 | L | 27.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | 60.5 | 169.3 | 136.8 | -67.2 | 174.7 | 0 | 0 | 0 | 120.8 | | |
| 757 | P | 37.1 | Very low | 31.3 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | cis | -122.4 | 155.6 | -0.6 | 43.1 | -28.7 | 0 | 0 | 0 | 114.6 | | |
| 758 | E | 25.8 | Very low | 31.6 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | | 83 | 91.1 | 77.1 | -152.8 | -177.4 | 122.5 | 0 | 0 | 118.7 | | |
| 759 | S | 28.8 | Very low | 32.3 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | | 66.9 | 159.9 | 127.3 | -48.8 | 0 | 0 | 0 | 0 | 126 | | |
| 760 | R | 31.4 | Very low | 32.2 | Very low | 232 Ų | 232 | 138 Ų | 138 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | 86.7 | 146.1 | 156.3 | -77.7 | -175.7 | 169.9 | 140.2 | -1.6 | 119.5 | | |
| 761 | S | 29.6 | Very low | 32.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | cis | -167.3 | 151.3 | -1.6 | 42 | 0 | 0 | 0 | 0 | 115.8 | | |
| 762 | V | 25.3 | Very low | 32.2 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 92% | 0.915 | 77% | 0.767 | S | S | * | * | | | trans | -142 | 171 | 150.8 | -77.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 763 | S | 25.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -167.8 | 157.8 | -176.3 | -171.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 764 | C | 30.1 | Very low | 31.3 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | 75.1 | 138.3 | 169.9 | -48.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 765 | S | 31.3 | Very low | 31.6 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | cis | -162.7 | -176.1 | 7.3 | -131.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 766 | D | 32 | Very low | 31.9 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | | | cis | -158.8 | -150 | 12.1 | -142.4 | -82.7 | 0 | 0 | 0 | 113.8 | | |
| 767 | Q | 30.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 120.3 Ų | 120.3 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | | | trans | -71.3 | 133 | -171.4 | -76 | 158 | 83.8 | 0 | 0 | 121.4 | | |
| 768 | S | 35 | Very low | 32 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | | 50.2 | 160.9 | 114.6 | -50.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 769 | P | 45.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | | | cis | -138.9 | 177.4 | -12.6 | 41.2 | -23.5 | 0 | 0 | 0 | 117.3 | | |
| 770 | T | 30.7 | Very low | 32.8 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | | | trans | 61.1 | 163.7 | 157.8 | 52.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 771 | S | 29.7 | Very low | 33.6 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | cis | -168.1 | 156.4 | -25.7 | 174.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 772 | S | 32.2 | Very low | 33.8 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | trans | -67.2 | 163 | 170.6 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 773 | P | 48 | Very low | 34.3 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | | | | -149.7 | -166.8 | 77.4 | 42 | -22 | 0 | 0 | 0 | 116.5 | | |
| 774 | S | 28.5 | Very low | 34.6 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | | | trans | -89.8 | -171.9 | -163.7 | -34.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 775 | K | 32.1 | Very low | 34.8 | Very low | 116 Ų | 116 | 119 Ų | 119 | 50% | 0.504 | 70% | 0.698 | S | S | . | * | | | trans | 95.9 | 126.7 | 162.5 | -56 | 172.9 | 176.4 | -83.7 | 0 | 115.9 | E950 | K775-E950 HydrophobicContact CB-CB 4.36Å; K775-E950 WeakPolarHBondContact CD-OE1 3.46Å; K775-E950 WeakPolarHBondContact CD-OE2 3.48Å; K775-E950 WeakPolarHBondContact CE-OE2 2.96Å; K775-E950 WeakPolarHBondContact CG-OE1 3.34Å; K775-E950 IonicContact NZ-OE1 3.77Å; K775-E950 PolarHBondContact NZ-OE1 3.4Å; K775-E950 IonicContact NZ-OE2 2.63Å; K775-E950 PolarHBondContact NZ-OE2 3.08Å |
| 776 | T | 33.4 | Very low | 35.2 | Very low | 52 Ų | 52 | 118.7 Ų | 118.7 | 32% | 0.319 | 69% | 0.694 | S | S | . | * | | | trans | -77.6 | -159.3 | -168.6 | -29.9 | 0 | 0 | 0 | 0 | 114.3 | T948 P949 E950 S951 A952 | T776-T948 WeakPolarHBondContact O-CB 3.4Å; T776-P949 CarbonylContact O-C 3.48Å; T776-P949 WeakPolarHBondContact O-CA 3.41Å; T776-E950 PolarHBondContact O-N 3.45Å; T776-S951 WeakPolarHBondContact OG1-CA 3.42Å; T776-A952 HydrophobicContact CG2-CB 4.22Å; T776-A952 WeakPolarHBondContact OG1-CB 3.2Å; T776-A952 PolarHBondContact OG1-N 3.34Å |
| 777 | S | 33.8 | Very low | 35.2 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 48% | 0.483 | 70% | 0.702 | S | S | . | * | | | trans | -171.1 | 161.2 | 138 | -144.1 | 0 | 0 | 0 | 0 | 109.3 | P949 | S777-P949 WeakPolarHBondContact CB-O 3.48Å; S777-P949 PolarHBondContact OG-O 3Å |
| 778 | T | 34 | Very low | 35.3 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | | | trans | -88.8 | 138.6 | -169.1 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 779 | L | 39.9 | Very low | 35.3 | Very low | 133 Ų | 133 | 119 Ų | 119 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | | | trans | 25.2 | 129.1 | 161.9 | -63.4 | 168.9 | 0 | 0 | 0 | 120.1 | | |
| 780 | H | 30.9 | Very low | 34.7 | Very low | 195 Ų | 195 | 123.3 Ų | 123.3 | 90% | 0.903 | 71% | 0.707 | S | S | * | * | | | | -158.2 | 154.5 | 120.4 | -109.4 | 72.9 | 0 | 0 | 0 | 111.1 | | |
| 781 | I | 48.8 | Very low | 35.8 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 67% | 0.672 | 70% | 0.699 | S | S | * | * | | | trans | -121.5 | 134.5 | -169.7 | -61.4 | 167.8 | 0 | 0 | 0 | 109.8 | | |
| 782 | H | 32.3 | Very low | 35.9 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | | | trans | 170.9 | 162.3 | 131.7 | -97.5 | -74.2 | 0 | 0 | 0 | 112.1 | | |
| 783 | L | 37.5 | Very low | 35.9 | Very low | 155 Ų | 155 | 121.8 Ų | 121.8 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | | | trans | -91.9 | 123.3 | -171.3 | -64.8 | 156.3 | 0 | 0 | 0 | 112.5 | | |
| 784 | A | 31.1 | Very low | 35 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | | | trans | -163.7 | 153.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T942 A943 | A784-T942 CarbonylContact C-O 3.44Å; A784-T942 CarbonylContact O-C 3.43Å; A784-A943 PolarHBondContact O-N 2.75Å |
| 785 | S | 33.3 | Very low | 35.2 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 52% | 0.517 | 69% | 0.693 | S | S | . | * | | | trans | -93.1 | 155.1 | -172 | -80.3 | 0 | 0 | 0 | 0 | 114.9 | Q941 T942 | S785-Q941 PolarHBondContact OG-O 2.9Å; S785-T942 PolarHBondContact N-O 2.87Å; S785-T942 PolarHBondContact OG-O 2.79Å; S785-T942 VanDerWaalsContact OG-O 3.1Å; S785-T942 PolarHBondContact OG-OG1 2.87Å |
| 786 | P | 41 | Very low | 35.3 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | | | trans | -92.4 | 137.2 | -166.8 | 34.6 | -35.7 | 0 | 0 | 0 | 115.6 | | |
| 787 | T | 30.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | | | trans | -147.8 | 121.1 | 160.4 | 55 | 0 | 0 | 0 | 0 | 113.9 | | |
| 788 | S | 32.9 | Very low | 35 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | trans | 49.3 | 141.4 | 149.3 | -120.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 789 | E | 34.3 | Very low | 35.2 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | trans | 62.4 | 91.6 | 141.3 | -72.6 | 162.1 | 106.6 | 0 | 0 | 122.7 | | |
| 790 | K | 33.8 | Very low | 34.7 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | | | | 41.7 | 135.7 | 94.3 | -165 | -179 | -172.1 | 174.1 | 0 | 118.2 | | |
| 791 | P | 52.7 | Low | 34.7 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | cis | -141.2 | -176 | -28.5 | 43.1 | -25.9 | 0 | 0 | 0 | 114.9 | | |
| 792 | S | 32.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | trans | 75.6 | 108.3 | 147.3 | -61.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 793 | S | 32.4 | Very low | 34.4 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | | | | 92.3 | 135.3 | 124.5 | -57.2 | 0 | 0 | 0 | 0 | 122.9 | | |
| 794 | L | 28.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 80% | 0.801 | 73% | 0.727 | S | S | * | * | | | trans | 102 | 100.5 | 135.2 | -146 | 75.6 | 0 | 0 | 0 | 120.6 | | |
| 795 | L | 33.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | trans | 57.7 | 119.5 | 138.6 | -60.5 | 176.1 | 0 | 0 | 0 | 122.6 | | |
| 796 | Q | 32.4 | Very low | 35.2 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 71% | 0.71 | 75% | 0.747 | S | S | * | * | | | | 95.1 | 124.2 | 118.7 | -79 | 178.9 | -14.4 | 0 | 0 | 123.8 | | |
| 797 | L | 31.8 | Very low | 35 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | | | | 79.2 | 120 | 129.7 | -68 | 167.3 | 0 | 0 | 0 | 122.5 | | |
| 798 | T | 30.5 | Very low | 35 | Very low | 127 Ų | 127 | 131 Ų | 131 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | 68.5 | 147.8 | 137.6 | 56.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 799 | A | 37.2 | Very low | 35.1 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | cis | -174.6 | 173.9 | -19 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 800 | V | 30.2 | Very low | 35.9 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | 85.3 | 144 | 143.1 | 148.2 | 0 | 0 | 0 | 0 | 122 | | |
| 801 | T | 29.7 | Very low | 35.7 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | 78.4 | 112.2 | 165.4 | 27.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 802 | E | 31.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | | 7.1 | 166.2 | 113.6 | -91.8 | -161 | 100.2 | 0 | 0 | 121.8 | | |
| 803 | P | 44.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | cis | -139.9 | -178.4 | 18.2 | 39.5 | -18.7 | 0 | 0 | 0 | 119.2 | | |
| 804 | L | 31.7 | Very low | 34.4 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | trans | -29.1 | 145.3 | 166 | -64.6 | 153.6 | 0 | 0 | 0 | 123 | | |
| 805 | S | 33.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | | 57.1 | -175.7 | 129.9 | 85.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 806 | P | 53 | Low | 34.5 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | | | cis | -129.7 | -159.4 | -7.7 | 41.6 | -22.5 | 0 | 0 | 0 | 114.9 | | |
| 807 | A | 36.7 | Very low | 34.6 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | | | trans | -119.8 | 166.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 808 | E | 31.6 | Very low | 34.7 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | trans | -160.1 | 160.6 | 170.5 | -121.7 | 168.7 | -166.3 | 0 | 0 | 114.8 | | |
| 809 | K | 33.9 | Very low | 35 | Very low | 197 Ų | 197 | 139.3 Ų | 139.3 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -123.6 | -167.3 | 168.9 | -58.8 | -177.4 | 177.8 | 177.6 | 0 | 107.6 | | |
| 810 | P | 52.8 | Low | 34.8 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | cis | -137 | -179.4 | -10.6 | 42.9 | -25.6 | 0 | 0 | 0 | 116.3 | | |
| 811 | T | 27.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | | | trans | 68.4 | 171.1 | 164.4 | 57.1 | 0 | 0 | 0 | 0 | 117 | | |
| 812 | E | 28.3 | Very low | 35 | Very low | 149 Ų | 149 | 139 Ų | 139 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | | | cis | -156.4 | 176.9 | 16.3 | -148.5 | -102.4 | -72.1 | 0 | 0 | 113.3 | | |
| 813 | F | 33.2 | Very low | 35 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | 94.5 | 160.8 | 160.7 | -138.3 | -103.1 | 0 | 0 | 0 | 121.1 | | |
| 814 | N | 29.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | -111 | 147.2 | -152.8 | -68.7 | -107.2 | 0 | 0 | 0 | 115.1 | | |
| 815 | V | 32 | Very low | 34.4 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | trans | 164.9 | 147.1 | 144.6 | 144 | 0 | 0 | 0 | 0 | 109.9 | | |
| 816 | T | 32.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | | | cis | -168.7 | 139.8 | -32.7 | -76.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 817 | E | 34.8 | Very low | 33.4 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | | | trans | 63.9 | 112.1 | -179.1 | -85 | 168.5 | 117.7 | 0 | 0 | 114.9 | | |
| 818 | R | 34.2 | Very low | 33.1 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 68% | 0.683 | 73% | 0.729 | S | S | * | * | | | cis | 88 | 126 | 40.3 | -175.1 | 179.7 | -81.2 | -164.5 | -17.8 | 111.1 | E820 | R818-E820 HydrophobicContact CG-CB 4.38Å; R818-E820 IonicContact CZ-OE1 2.8Å; R818-E820 IonicContact CZ-OE2 2.73Å; R818-E820 VanDerWaalsContact CZ-OE2 3.24Å; R818-E820 IonicContact NE-OE1 2.71Å; R818-E820 IonicContact NE-OE2 2.68Å; R818-E820 PolarHBondContact NE-OE2 2.82Å; R818-E820 VanDerWaalsContact NH2-CD 3.26Å; R818-E820 IonicContact NH2-OE1 3.03Å; R818-E820 PolarHBondContact NH2-OE1 3.21Å; R818-E820 IonicContact NH2-OE2 3.56Å; R818-E820 PolarHBondContact NH2-OE2 2.94Å |
| 819 | I | 36.3 | Very low | 33 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | | | cis | -82.6 | 179 | 39.7 | -68.7 | 175.3 | 0 | 0 | 0 | 116 | | |
| 820 | E | 33.6 | Very low | 33 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | trans | -152 | 19.2 | -141.6 | -149.3 | 159.1 | 88.3 | 0 | 0 | 117.1 | R818 | R818-E820 HydrophobicContact CG-CB 4.38Å; R818-E820 IonicContact CZ-OE1 2.8Å; R818-E820 IonicContact CZ-OE2 2.73Å; R818-E820 VanDerWaalsContact CZ-OE2 3.24Å; R818-E820 IonicContact NE-OE1 2.71Å; R818-E820 IonicContact NE-OE2 2.68Å; R818-E820 PolarHBondContact NE-OE2 2.82Å; R818-E820 VanDerWaalsContact NH2-CD 3.26Å; R818-E820 IonicContact NH2-OE1 3.03Å; R818-E820 PolarHBondContact NH2-OE1 3.21Å; R818-E820 IonicContact NH2-OE2 3.56Å; R818-E820 PolarHBondContact NH2-OE2 2.94Å |
| 821 | G | 31.7 | Very low | 32.1 | Very low | 64 Ų | 64 | 140.6 Ų | 140.6 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | | | trans | 172.8 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 822 | V | 31.7 | Very low | 32.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | | | cis | -161.3 | 130.7 | 6.9 | 113.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 823 | K | 32.3 | Very low | 32.8 | Very low | 143 Ų | 143 | 139 Ų | 139 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | | | | 56.3 | 117.9 | 89.1 | -138 | -166.3 | -179.1 | -151.5 | 0 | 113.2 | E826 | K823-E826 IonicContact NZ-OE1 3.47Å; K823-E826 PolarHBondContact NZ-OE1 2.65Å |
| 824 | K | 31.9 | Very low | 32.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 57% | 0.574 | 68% | 0.678 | S | S | * | * | | | | 170.2 | 160.3 | 94.2 | -90.6 | -169.1 | -167.2 | -169.6 | 0 | 108 | E826 | K824-E826 HydrophobicContact CD-CB 4.33Å; K824-E826 HydrophobicContact CD-CG 4.19Å; K824-E826 WeakPolarHBondContact CE-OE1 3.39Å; K824-E826 WeakPolarHBondContact CE-OE2 3.48Å; K824-E826 IonicContact NZ-OE1 3.27Å; K824-E826 PolarHBondContact NZ-OE1 3.04Å; K824-E826 VanDerWaalsContact NZ-OE1 3.07Å; K824-E826 IonicContact NZ-OE2 2.72Å; K824-E826 PolarHBondContact NZ-OE2 3.48Å |
| 825 | P | 31.7 | Very low | 33 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | | | | -82.1 | 155.6 | 56.8 | 23.3 | -34.5 | 0 | 0 | 0 | 116.2 | | |
| 826 | E | 32.3 | Very low | 33 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 45% | 0.449 | 65% | 0.653 | S | S | . | * | | | trans | -98.3 | 124.5 | 132.4 | -87.4 | 153 | -153.7 | 0 | 0 | 103 | K823 K824 | K823-E826 IonicContact NZ-OE1 3.47Å; K823-E826 PolarHBondContact NZ-OE1 2.65Å; K824-E826 HydrophobicContact CD-CB 4.33Å; K824-E826 HydrophobicContact CD-CG 4.19Å; K824-E826 WeakPolarHBondContact CE-OE1 3.39Å; K824-E826 WeakPolarHBondContact CE-OE2 3.48Å; K824-E826 IonicContact NZ-OE1 3.27Å; K824-E826 PolarHBondContact NZ-OE1 3.04Å; K824-E826 VanDerWaalsContact NZ-OE1 3.07Å; K824-E826 IonicContact NZ-OE2 2.72Å; K824-E826 PolarHBondContact NZ-OE2 3.48Å |
| 827 | E | 32.4 | Very low | 32.9 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | | | | 68.9 | 130.1 | 75.8 | -75.9 | -179.6 | 148.6 | 0 | 0 | 111.7 | | |
| 828 | E | 30.7 | Very low | 32.7 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | | | trans | 69.8 | 130.7 | 171.9 | -63.4 | 163.4 | -168.5 | 0 | 0 | 114.7 | | |
| 829 | E | 30.5 | Very low | 32.4 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | | | cis | -164 | -177.8 | -3.3 | -134.7 | 161.7 | -173.9 | 0 | 0 | 111.1 | | |
| 830 | E | 33.7 | Very low | 32.1 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | | | trans | 73.4 | 129.7 | 156.2 | -70.7 | 162.4 | 175.2 | 0 | 0 | 120 | | |
| 831 | E | 33.3 | Very low | 32.4 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | | | | 58.7 | 144.3 | 124.5 | -61 | 167.6 | -177.1 | 0 | 0 | 119.5 | | |
| 832 | E | 36.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | | | cis | -161.2 | -165.8 | 2 | -127.9 | 166.7 | -173.8 | 0 | 0 | 111.4 | | |
| 833 | E | 34.5 | Very low | 32.7 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 47% | 0.467 | 66% | 0.655 | S | S | . | * | | | trans | -5 | 155.9 | 138 | -66.8 | -171.3 | 176.6 | 0 | 0 | 119.3 | E601 K602 | E601-E833 VanDerWaalsContact C-OE2 3.31Å; K602-E833 PolarHBondContact N-OE2 2.89Å |
| 834 | E | 35.2 | Very low | 32.6 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 38% | 0.383 | 66% | 0.655 | S | S | . | * | | | cis | -166.7 | 179.6 | 4.9 | -128.3 | -165.5 | -159.1 | 0 | 0 | 113.8 | K602 C603 | K602-E834 VanDerWaalsContact C-OE2 3.29Å; K602-E834 VanDerWaalsContact CA-CD 3.47Å; K602-E834 WeakPolarHBondContact CA-OE2 3.44Å; K602-E834 VanDerWaalsContact N-CD 3.29Å; K602-E834 PolarHBondContact N-OE1 3.45Å; K602-E834 PolarHBondContact N-OE2 3.23Å; C603-E834 PolarHBondContact N-OE2 3.2Å |
| 835 | E | 31.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 52% | 0.519 | 67% | 0.667 | S | S | . | * | | | | -0.8 | 157.6 | 120.9 | -75.3 | -142.7 | 157.1 | 0 | 0 | 119.3 | C603 Q604 | C603-E835 WeakPolarHBondContact CA-O 3.46Å; Q604-E835 PolarHBondContact N-O 3.47Å |
| 836 | E | 31.2 | Very low | 32.4 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 46% | 0.458 | 67% | 0.665 | S | S | . | * | | | cis | -169.4 | -175.2 | -10.5 | -124.2 | -161.4 | 151 | 0 | 0 | 112.8 | | |
| 837 | K | 29.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 56% | 0.561 | 68% | 0.677 | S | S | * | * | | | trans | 34.2 | 117.2 | 142 | -72 | -177.7 | -171.6 | 110.6 | 0 | 120.5 | | |
| 838 | Q | 30.8 | Very low | 32.6 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | | | | 46.7 | 123 | 110.2 | -54.3 | 162.6 | 1.4 | 0 | 0 | 119.3 | | |
| 839 | S | 29.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | | | | -140.6 | 132.3 | 124.2 | -81.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 840 | A | 29.9 | Very low | 32.7 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 72% | 0.719 | 67% | 0.668 | S | S | * | * | | | | 71.3 | 144.2 | 51.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 841 | P | 38.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | | | cis | -129.8 | 159.1 | 25.2 | 42.3 | -27.8 | 0 | 0 | 0 | 118.1 | | |
| 842 | E | 28.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 116.4 Ų | 116.4 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | | | trans | -32.7 | 162.1 | 140.6 | -84 | -69.2 | 114.6 | 0 | 0 | 114.2 | G844 | E842-G844 PolarHBondContact OE2-N 3.28Š|
| 843 | P | 42.3 | Very low | 32.3 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 81% | 0.805 | 67% | 0.673 | S | S | * | * | | | cis | -143.6 | 165.9 | 32.7 | 40.8 | -21.7 | 0 | 0 | 0 | 119.5 | | |
| 844 | G | 28.6 | Very low | 32 | Very low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 69% | 0.689 | S | S | * | * | | | trans | 134.4 | 87.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | E842 | E842-G844 PolarHBondContact OE2-N 3.28Š|
| 845 | D | 29 | Very low | 32.7 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 84% | 0.84 | 70% | 0.704 | S | S | * | * | | | | 65 | 148 | 129.1 | -142 | -14.8 | 0 | 0 | 0 | 122.4 | | |
| 846 | S | 32.3 | Very low | 32.6 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | | | trans | 75 | 135.3 | 164.1 | 75 | 0 | 0 | 0 | 0 | 121.1 | | |
| 847 | S | 35.1 | Very low | 33 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | | | trans | -75.9 | 166.8 | -170 | 43.2 | 0 | 0 | 0 | 0 | 117.4 | L286 | L286-S847 WeakPolarHBondContact CD1-O 3.24Š|
| 848 | G | 33.1 | Very low | 33.3 | Very low | 54 Ų | 54 | 121.4 Ų | 121.4 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | | | trans | 141 | 77.9 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 849 | Q | 31.9 | Very low | 33.5 | Very low | 171 Ų | 171 | 118.6 Ų | 118.6 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | trans | 57.5 | 137.6 | 139.3 | -159.5 | 166.7 | -30.8 | 0 | 0 | 123.3 | | |
| 850 | E | 30.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | 44 | 109.9 | 158.6 | -73.8 | 177.2 | 96.8 | 0 | 0 | 123.4 | | |
| 851 | S | 26.1 | Very low | 34.6 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | | 49.3 | 161.7 | 122.3 | 93.2 | 0 | 0 | 0 | 0 | 123 | | |
| 852 | P | 41.1 | Very low | 34.7 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | cis | -135.8 | 156.8 | -18.6 | 36.7 | -18.6 | 0 | 0 | 0 | 116.5 | | |
| 853 | S | 28.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | 65.6 | 145.6 | 141.3 | -62.3 | 0 | 0 | 0 | 0 | 125.2 | | |
| 854 | T | 29.6 | Very low | 35.3 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | trans | 95.1 | 161 | 153.7 | 79 | 0 | 0 | 0 | 0 | 118.3 | | |
| 855 | P | 48 | Very low | 36.5 | Very low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | cis | -131 | -164.1 | -9.4 | 28.8 | -5.1 | 0 | 0 | 0 | 114.7 | | |
| 856 | T | 30.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | | | trans | 75.3 | 96.6 | 152.8 | -50.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 857 | D | 39.2 | Very low | 38.5 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | | 55 | 110.3 | 67.8 | -171.3 | 26.9 | 0 | 0 | 0 | 116.4 | | |
| 858 | Q | 36 | Very low | 39.2 | Very low | 172 Ų | 172 | 126.2 Ų | 126.2 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | -165.6 | 97 | 135 | -115.4 | 175.4 | 111.3 | 0 | 0 | 114.9 | | |
| 859 | S | 35.5 | Very low | 40.2 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | trans | 63.8 | 162.3 | 153.2 | 88.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 860 | K | 38.8 | Very low | 41.4 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | cis | -152.7 | 171.6 | 0.6 | -157.7 | 170.3 | 177.8 | 177.6 | 0 | 108.7 | | |
| 861 | V | 43.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | 81.6 | 113.4 | 179.8 | -171 | 0 | 0 | 0 | 0 | 114.2 | F863 | V861-F863 HydrophobicContact CG1-CD2 3.64Å; V861-F863 HydrophobicContact CG1-CE2 3.72Å |
| 862 | R | 40.5 | Very low | 43.3 | Very low | 235 Ų | 235 | 140.4 Ų | 140.4 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | | | trans | -115.6 | 90.9 | 170.1 | -80.9 | -172 | 168.8 | -153.6 | -2.6 | 110.3 | T864 | R862-T864 VanDerWaalsContact C-N 3.32Å; R862-T864 PolarHBondContact O-N 3.11Å; R862-T864 PolarHBondContact O-OG1 2.72Å |
| 863 | F | 39 | Very low | 43.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | | | trans | -68.1 | 93 | 163.2 | -84.7 | -75.9 | 0 | 0 | 0 | 109.5 | V861 V865 | V861-F863 HydrophobicContact CG1-CD2 3.64Å; V861-F863 HydrophobicContact CG1-CE2 3.72Å; F863-V865 PolarHBondContact O-N 2.8Å; F863-V865 VanDerWaalsContact O-N 3.12Å |
| 864 | T | 45.2 | Very low | 43.8 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | | | trans | -83.2 | 89.5 | 180 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | R862 A866 | R862-T864 VanDerWaalsContact C-N 3.32Å; R862-T864 PolarHBondContact O-N 3.11Å; R862-T864 PolarHBondContact O-OG1 2.72Å; T864-A866 VanDerWaalsContact C-N 3.26Å; T864-A866 PolarHBondContact O-N 3.06Å |
| 865 | V | 53.4 | Low | 44.4 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | -72.1 | 84.4 | 172.8 | -175.4 | 0 | 0 | 0 | 0 | 109 | F863 | F863-V865 PolarHBondContact O-N 2.8Å; F863-V865 VanDerWaalsContact O-N 3.12Å |
| 866 | A | 51.1 | Low | 44.1 | Very low | 42 Ų | 42 | 149.7 Ų | 149.7 | 35% | 0.347 | 76% | 0.761 | S | S | . | * | | | trans | -62.3 | 136.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T864 A868 | T864-A866 VanDerWaalsContact C-N 3.26Å; T864-A866 PolarHBondContact O-N 3.06Å; A866-A868 PolarHBondContact O-N 3.27Å |
| 867 | P | 52.6 | Low | 44.1 | Very low | 96 Ų | 96 | 150.6 Ų | 150.6 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | | | trans | -52.7 | 136 | 179.9 | -29.1 | 35.8 | 0 | 0 | 0 | 112.9 | W869 Q870 | P867-W869 PolarHBondContact O-N 2.76Å; P867-Q870 PolarHBondContact O-N 3.46Å |
| 868 | A | 49.8 | Very low | 44.1 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 66% | 0.661 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -55.3 | -22.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A866 Q870 R871 | A866-A868 PolarHBondContact O-N 3.27Å; A868-Q870 PolarHBondContact O-N 2.81Å; A868-Q870 VanDerWaalsContact O-N 3.17Å; A868-R871 PolarHBondContact O-N 2.81Å |
| 869 | W | 54.5 | Low | 44.3 | Very low | 248 Ų | 248 | 146.9 Ų | 146.9 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -71.2 | -3.4 | -175.8 | -57 | 79.8 | 0 | 0 | 0 | 114.9 | P867 | P867-W869 PolarHBondContact O-N 2.76Š|
| 870 | Q | 55.8 | Low | 44 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -99.6 | -6 | 176.5 | -88.9 | -173.4 | -15.5 | 0 | 0 | 115.8 | P867 A868 L872 | P867-Q870 PolarHBondContact O-N 3.46Å; A868-Q870 PolarHBondContact O-N 2.81Å; A868-Q870 VanDerWaalsContact O-N 3.17Å; Q870-L872 VanDerWaalsContact C-N 3.32Å; Q870-L872 PolarHBondContact O-N 3.41Å |
| 871 | R | 49.2 | Very low | 43.6 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | trans | -89 | 43.8 | -177.5 | -64.5 | -173 | -175.8 | 157.3 | 1.3 | 114.4 | A868 | A868-R871 PolarHBondContact O-N 2.81Š|
| 872 | L | 48.3 | Very low | 43 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -132.8 | 24.3 | -174.5 | -107 | 170.1 | 0 | 0 | 0 | 116.3 | Q870 | Q870-L872 VanDerWaalsContact C-N 3.32Å; Q870-L872 PolarHBondContact O-N 3.41Å |
| 873 | Q | 43.8 | Very low | 43.2 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -141 | 106.4 | 157.2 | -68.1 | -169.4 | 11.9 | 0 | 0 | 110.7 | | |
| 874 | N | 35.7 | Very low | 42.7 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | 172 | 128.8 | 142.5 | -89.1 | -13.4 | 0 | 0 | 0 | 109.4 | | |
| 875 | H | 42.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | | | trans | -111 | 149.3 | 171.2 | -52.1 | -86.4 | 0 | 0 | 0 | 109.6 | | |
| 876 | P | 41.3 | Very low | 40.5 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -122.2 | 114.8 | 147.9 | 27.7 | -12.6 | 0 | 0 | 0 | 111.8 | | |
| 877 | T | 31.6 | Very low | 39.3 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | 30 | 119.9 | 142.6 | 52.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 878 | S | 37.3 | Very low | 38.1 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -79.5 | 167.1 | 155.1 | 105.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 879 | P | 41.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -107 | 175.5 | 140.6 | 35.2 | -29.9 | 0 | 0 | 0 | 111.3 | | |
| 880 | S | 28.7 | Very low | 35.9 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | -133.7 | 176.1 | -174.7 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 881 | D | 30.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | 77.8 | 113.3 | 155.3 | -51.3 | -24 | 0 | 0 | 0 | 119.2 | | |
| 882 | A | 30.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -87 | 163.7 | 146 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 883 | P | 44.2 | Very low | 32.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | | -151.7 | 156.2 | 57.5 | 40.1 | -19.3 | 0 | 0 | 0 | 119.2 | | |
| 884 | A | 29.2 | Very low | 32.4 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | 37.9 | 122.3 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 885 | L | 24.7 | Very low | 32.3 | Very low | 149 Ų | 149 | 131 Ų | 131 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -154.5 | 159.9 | 134 | -144.6 | 68.5 | 0 | 0 | 0 | 113.6 | | |
| 886 | W | 27.3 | Very low | 31.7 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | | | trans | -74.8 | 165.5 | 163.2 | 42.8 | -71.2 | 0 | 0 | 0 | 109.2 | | |
| 887 | D | 25.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | cis | -159.5 | 172.4 | 30.4 | -158.2 | -6.2 | 0 | 0 | 0 | 113.2 | | |
| 888 | S | 29 | Very low | 31.4 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -40.5 | 148.9 | 168.3 | -39.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 889 | R | 27.5 | Very low | 31 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | | | | -169.8 | 149 | 111.8 | -159.9 | 163.8 | -175.4 | -79 | -3.6 | 112.5 | E891 | R889-E891 IonicContact CZ-OE1 3.24Å; R889-E891 IonicContact NH1-OE1 2.71Å; R889-E891 PolarHBondContact NH1-OE1 3.38Å; R889-E891 IonicContact NH2-OE1 2.94Å |
| 890 | A | 29.3 | Very low | 30.8 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | | | trans | -116.6 | 162.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 891 | E | 28.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | | | trans | -160.7 | 123.7 | 158.6 | -107.5 | 154.9 | -137.3 | 0 | 0 | 106.8 | R889 | R889-E891 IonicContact CZ-OE1 3.24Å; R889-E891 IonicContact NH1-OE1 2.71Å; R889-E891 PolarHBondContact NH1-OE1 3.38Å; R889-E891 IonicContact NH2-OE1 2.94Å |
| 892 | V | 30.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | | 78.9 | 131.6 | 86.5 | 153.7 | 0 | 0 | 0 | 0 | 113 | | |
| 893 | E | 29.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | cis | -171.7 | 179.1 | -8.1 | -171.7 | -177.1 | 129.5 | 0 | 0 | 109.3 | | |
| 894 | T | 33.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 93.6 | 143.3 | 161.1 | 73.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 895 | A | 33.8 | Very low | 30.1 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | | | cis | -175.9 | 158.4 | -19 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 896 | D | 30.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | | | cis | -152.3 | 162.3 | 2.3 | 170.7 | -143.8 | 0 | 0 | 0 | 108 | | |
| 897 | R | 31.3 | Very low | 31.3 | Very low | 211 Ų | 211 | 136.7 Ų | 136.7 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | | | trans | 79.1 | 145.9 | 169.7 | -70.1 | 147.6 | -165.5 | -141.2 | -5.9 | 119.2 | | |
| 898 | K | 34 | Very low | 31.6 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 73% | 0.726 | 74% | 0.74 | S | S | * | * | | | cis | -147.7 | 130.4 | 9.9 | -150.9 | 176.3 | 173.6 | -174.2 | 0 | 115 | | |
| 899 | E | 30.2 | Very low | 32.8 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | | | trans | 22.8 | 141.7 | 145.1 | -51.7 | 177.2 | -91.9 | 0 | 0 | 120.6 | | |
| 900 | R | 37.5 | Very low | 33.1 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | cis | -177.5 | 144.7 | -3.3 | 170.9 | -176.7 | -70.7 | 102.9 | 3.4 | 104.9 | | |
| 901 | N | 28.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | | 164.5 | 125.2 | 96.8 | -162 | 34.9 | 0 | 0 | 0 | 113.8 | | |
| 902 | V | 31.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | | | trans | 57.9 | 131.5 | 138.7 | 156.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 903 | K | 29.3 | Very low | 33.4 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | cis | -178 | 132.3 | 9.2 | 170.1 | 71.6 | 170.3 | -178.5 | 0 | 115.3 | | |
| 904 | A | 31.8 | Very low | 34.5 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | | | trans | 76.8 | 126.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | | |
| 905 | E | 25.4 | Very low | 34.3 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -74 | -167.9 | 150.9 | -132.4 | -134 | 122 | 0 | 0 | 110.9 | | |
| 906 | P | 51 | Low | 35.3 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | cis | -138.1 | -179.5 | 3.5 | 44.1 | -26.6 | 0 | 0 | 0 | 117.9 | | |
| 907 | G | 27.9 | Very low | 35.2 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | trans | 159.9 | 111.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 908 | S | 32.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | | | trans | -125.6 | -172.2 | 163.9 | -136.5 | 0 | 0 | 0 | 0 | 109 | | |
| 909 | P | 52.9 | Low | 35 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | cis | -149.5 | -159.1 | 23.5 | 45.7 | -23.1 | 0 | 0 | 0 | 117.5 | | |
| 910 | A | 34 | Very low | 35.1 | Very low | 84 Ų | 84 | 132.1 Ų | 132.1 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | trans | 83.5 | 119.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 911 | E | 32.3 | Very low | 34.7 | Very low | 192 Ų | 192 | 128 Ų | 128 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | | 86.1 | 144.6 | 71.2 | -112.5 | -166.5 | 112 | 0 | 0 | 113.8 | | |
| 912 | A | 29.4 | Very low | 34.8 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | | | cis | -152.9 | -179.2 | 7.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 913 | A | 33.8 | Very low | 34.7 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | | | trans | -99.3 | -164.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 914 | P | 52.5 | Low | 34.7 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | cis | -140.5 | -168 | 9.1 | 43.6 | -21.6 | 0 | 0 | 0 | 117.9 | | |
| 915 | S | 30 | Very low | 34.7 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -83.3 | -152.1 | -171.7 | -35 | 0 | 0 | 0 | 0 | 114.6 | | |
| 916 | P | 53.8 | Low | 35 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | cis | -143.6 | -168.5 | -7.7 | 25.7 | 2.2 | 0 | 0 | 0 | 117.8 | | |
| 917 | V | 30.1 | Very low | 34.1 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | 114.6 | 110.6 | 140.6 | -170.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 918 | R | 31.6 | Very low | 34.5 | Very low | 243 Ų | 243 | 129.3 Ų | 129.3 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | 58.6 | 151.3 | 153.3 | -63.9 | 168.1 | -143.2 | -90.9 | -3.1 | 120.1 | | |
| 919 | G | 28.7 | Very low | 35.1 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | 154.7 | 167.1 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 920 | R | 32.9 | Very low | 34.3 | Very low | 245 Ų | 245 | 132 Ų | 132 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | 79.6 | 133.6 | 173.9 | -55.3 | -172.3 | 78.2 | -162.7 | 4.7 | 119.7 | | |
| 921 | S | 28.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | 84.3 | 134 | 144.1 | -126.7 | 0 | 0 | 0 | 0 | 122 | | |
| 922 | S | 29.2 | Very low | 34.6 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | 47.5 | 115.9 | 140.4 | -47.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 923 | G | 30.7 | Very low | 34.9 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | | | trans | -160.3 | 130.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 924 | S | 29.1 | Very low | 35.2 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -112.1 | 177 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 925 | F | 31.1 | Very low | 34.3 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | trans | 72.3 | 155.2 | 169 | -58 | -68.8 | 0 | 0 | 0 | 115.8 | | |
| 926 | T | 31.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | cis | -157.4 | 154.1 | 0.7 | -2.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 927 | S | 32.3 | Very low | 34.9 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 53.3 | 143 | 135.5 | -58.7 | 0 | 0 | 0 | 0 | 127 | | |
| 928 | K | 37.7 | Very low | 35.2 | Very low | 196 Ų | 196 | 132.9 Ų | 132.9 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | -44 | 161.9 | 153.5 | -93.3 | 175.9 | 175.3 | 176.5 | 0 | 115.7 | | |
| 929 | P | 44.1 | Very low | 35.3 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | | -126.2 | 170.7 | 67.1 | 9.2 | 16.6 | 0 | 0 | 0 | 114.9 | | |
| 930 | Q | 37.3 | Very low | 35.8 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | 66.5 | 145.2 | 57.3 | -106.9 | -174 | -39 | 0 | 0 | 113.9 | | |
| 931 | S | 39.8 | Very low | 36.1 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 47% | 0.469 | 76% | 0.759 | S | S | . | * | | | cis | -166.8 | -163.6 | 12 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 932 | Y | 30.8 | Very low | 36.4 | Very low | 223 Ų | 223 | 122.3 Ų | 122.3 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | | | trans | 86.9 | 147.9 | 166.2 | -51.6 | -67.5 | 0 | 0 | 0 | 118.1 | | |
| 933 | A | 37.7 | Very low | 36.7 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 81% | 0.81 | 73% | 0.726 | S | S | * | * | | | cis | -166.2 | 174.7 | -16.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 934 | A | 38.3 | Very low | 37.9 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | trans | -151.4 | 174.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 935 | S | 35.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | | | trans | -162 | 159.8 | 175.3 | -75.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 936 | A | 39.1 | Very low | 39.2 | Very low | 93 Ų | 93 | 116.3 Ų | 116.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | -118.8 | -173.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 937 | P | 56.6 | Low | 39.2 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | | | | -158.4 | 164.2 | 97.9 | 41.6 | -23.2 | 0 | 0 | 0 | 118.9 | | |
| 938 | S | 35.7 | Very low | 39.7 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | | | trans | 48.8 | 150.2 | 145.8 | 59.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 939 | E | 34.8 | Very low | 40 | Very low | 158 Ų | 158 | 117 Ų | 117 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | | | cis | 179.3 | 172 | -16.2 | -102.1 | -149.4 | 84.1 | 0 | 0 | 105.6 | Q941 | E939-Q941 PolarHBondContact OE1-NE2 3.1Š|
| 940 | A | 38.8 | Very low | 39.5 | Very low | 76 Ų | 76 | 116.3 Ų | 116.3 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | | | cis | -176.3 | -156.5 | -26.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 941 | Q | 39.1 | Very low | 39.5 | Very low | 133 Ų | 133 | 110.8 Ų | 110.8 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | | | cis | -164.7 | 133.6 | -0.4 | -146.6 | 174.3 | 95.9 | 0 | 0 | 109.2 | S785 E939 | S785-Q941 PolarHBondContact OG-O 2.9Å; E939-Q941 PolarHBondContact OE1-NE2 3.1Å |
| 942 | T | 35.4 | Very low | 39.6 | Very low | 70 Ų | 70 | 111.5 Ų | 111.5 | 43% | 0.429 | 69% | 0.69 | S | S | . | * | | | trans | 52.5 | 163.3 | 159.8 | 45.3 | 0 | 0 | 0 | 0 | 121.6 | A784 S785 | A784-T942 CarbonylContact C-O 3.44Å; A784-T942 CarbonylContact O-C 3.43Å; S785-T942 PolarHBondContact N-O 2.87Å; S785-T942 PolarHBondContact OG-O 2.79Å; S785-T942 VanDerWaalsContact OG-O 3.1Å; S785-T942 PolarHBondContact OG-OG1 2.87Å |
| 943 | A | 35.7 | Very low | 39.6 | Very low | 54 Ų | 54 | 105.6 Ų | 105.6 | 45% | 0.446 | 69% | 0.687 | S | S | . | * | | | cis | -160.7 | -132.7 | -33.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A784 | A784-A943 PolarHBondContact O-N 2.75Š|
| 944 | P | 54.8 | Low | 39.7 | Very low | 105 Ų | 105 | 107.2 Ų | 107.2 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | | | trans | -129 | -146.8 | -156.5 | 44.7 | -20.6 | 0 | 0 | 0 | 113.5 | | |
| 945 | P | 57.4 | Low | 39.6 | Very low | 127 Ų | 127 | 107.6 Ų | 107.6 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | | | cis | -138.9 | -179.3 | -16.6 | 42.6 | -25.2 | 0 | 0 | 0 | 116.9 | | |
| 946 | G | 30.1 | Very low | 39.7 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | | | | 124.2 | 73.6 | 122.7 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 947 | R | 32.8 | Very low | 39.7 | Very low | 252 Ų | 252 | 110 Ų | 110 | 95% | 0.951 | 69% | 0.686 | S | S | * | * | | | trans | -178.5 | 158.2 | 134.4 | -107.5 | -176.9 | 174.1 | -142 | -5 | 112.9 | | |
| 948 | T | 43.2 | Very low | 38.5 | Very low | 100 Ų | 100 | 112.1 Ų | 112.1 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | | | trans | -130.1 | 165.9 | -175.8 | 57 | 0 | 0 | 0 | 0 | 111.9 | T776 | T776-T948 WeakPolarHBondContact O-CB 3.4Š|
| 949 | P | 42.7 | Very low | 39.1 | Very low | 84 Ų | 84 | 112.3 Ų | 112.3 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | | | | -153.4 | 173.9 | 83.9 | 42.1 | -22.8 | 0 | 0 | 0 | 118.3 | T776 S777 | T776-P949 CarbonylContact O-C 3.48Å; T776-P949 WeakPolarHBondContact O-CA 3.41Å; S777-P949 WeakPolarHBondContact CB-O 3.48Å; S777-P949 PolarHBondContact OG-O 3Å |
| 950 | E | 34.5 | Very low | 39.1 | Very low | 99 Ų | 99 | 111.3 Ų | 111.3 | 46% | 0.463 | 69% | 0.689 | S | S | . | * | | | trans | 61.8 | 137.4 | 156.6 | -160.7 | 94 | -105.4 | 0 | 0 | 120.2 | K775 T776 | K775-E950 HydrophobicContact CB-CB 4.36Å; K775-E950 WeakPolarHBondContact CD-OE1 3.46Å; K775-E950 WeakPolarHBondContact CD-OE2 3.48Å; K775-E950 WeakPolarHBondContact CE-OE2 2.96Å; K775-E950 WeakPolarHBondContact CG-OE1 3.34Å; K775-E950 IonicContact NZ-OE1 3.77Å; K775-E950 PolarHBondContact NZ-OE1 3.4Å; K775-E950 IonicContact NZ-OE2 2.63Å; K775-E950 PolarHBondContact NZ-OE2 3.08Å; T776-E950 PolarHBondContact O-N 3.45Å |
| 951 | S | 37.9 | Very low | 39.2 | Very low | 67 Ų | 67 | 113 Ų | 113 | 47% | 0.469 | 70% | 0.696 | S | S | . | * | | | cis | -151.6 | 162.7 | -36.4 | -89.5 | 0 | 0 | 0 | 0 | 108.3 | T776 | T776-S951 WeakPolarHBondContact OG1-CA 3.42Š|
| 952 | A | 40.7 | Very low | 40.4 | Very low | 83 Ų | 83 | 110.8 Ų | 110.8 | 69% | 0.686 | 69% | 0.694 | S | S | * | * | | | trans | -130.7 | 164 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T776 | T776-A952 HydrophobicContact CG2-CB 4.22Å; T776-A952 WeakPolarHBondContact OG1-CB 3.2Å; T776-A952 PolarHBondContact OG1-N 3.34Å |
| 953 | A | 30.6 | Very low | 40.5 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | -136 | 135 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 954 | V | 40.7 | Very low | 40.7 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | | | trans | -152.8 | 136.4 | 173 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 955 | A | 36.8 | Very low | 40.4 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | trans | -152.5 | 100.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 956 | E | 35.6 | Very low | 39.9 | Very low | 188 Ų | 188 | 122.8 Ų | 122.8 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -84.1 | 166.3 | -178.4 | -156.3 | 178.4 | 132.1 | 0 | 0 | 112 | | |
| 957 | A | 39.6 | Very low | 40.5 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | | | trans | -78.6 | 170.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 958 | N | 32.5 | Very low | 41.2 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | | | trans | -158.3 | 163.8 | 159.4 | -117 | -25.9 | 0 | 0 | 0 | 110.3 | | |
| 959 | P | 48.5 | Very low | 41.1 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | | -137.1 | -173.6 | -114.1 | 42.6 | -23.8 | 0 | 0 | 0 | 115.5 | | |
| 960 | D | 34.6 | Very low | 40.8 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | 35.4 | 120.5 | 151 | -160.7 | 7.5 | 0 | 0 | 0 | 120.1 | | |
| 961 | S | 41.3 | Very low | 40.7 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -119.2 | 103.5 | 165.2 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | F963 | S961-F963 PolarHBondContact O-N 3.07Š|
| 962 | P | 63.5 | Low | 40.5 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 57% | 0.565 | 78% | 0.776 | S | S | * | * | | | trans | -78.2 | 124.7 | -166.7 | 29 | -35.4 | 0 | 0 | 0 | 112.8 | | |
| 963 | F | 37 | Very low | 40.1 | Very low | 213 Ų | 213 | 137 Ų | 137 | 93% | 0.934 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 63.3 | 77.7 | 170.6 | -48.9 | -78.3 | 0 | 0 | 0 | 117.2 | S961 | S961-F963 PolarHBondContact O-N 3.07Š|
| 964 | G | 40.5 | Very low | 40.5 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -124.7 | -24.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 965 | V | 47.5 | Very low | 40.2 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | trans | 60.6 | 91.3 | 171.6 | -172.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 966 | R | 46.6 | Very low | 40.1 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | 70.8 | 170.4 | 146.8 | -49.9 | -177.4 | -41.4 | -142.3 | 7.8 | 116.2 | | |
| 967 | L | 43.1 | Very low | 39.9 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | | | cis | -136 | 159.6 | 16.5 | -73.4 | 158.2 | 0 | 0 | 0 | 112.6 | | |
| 968 | R | 47.1 | Very low | 39.6 | Very low | 235 Ų | 235 | 141.6 Ų | 141.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | trans | -88.9 | 174 | 172 | -47.4 | -176.8 | -159.5 | 153.2 | 2.5 | 112.7 | | |
| 969 | K | 42.7 | Very low | 39.6 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | 74.8 | 149 | 162.9 | -70.6 | 175.8 | 63.4 | 164.1 | 0 | 115.8 | | |
| 970 | T | 36.3 | Very low | 39.1 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | cis | -134.8 | 145.9 | 12.7 | 46.4 | 0 | 0 | 0 | 0 | 115 | | |
| 971 | S | 32.8 | Very low | 38.9 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -15.6 | 148.5 | 150.5 | 57.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 972 | A | 32 | Very low | 38.4 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | | 148.3 | 109.9 | 103 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 973 | L | 34.2 | Very low | 37.1 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | -168.5 | 118.3 | 148.1 | -148.2 | 69 | 0 | 0 | 0 | 107 | | |
| 974 | L | 37.4 | Very low | 36.8 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | | 70.3 | 81 | 57.7 | -74.7 | 176.9 | 0 | 0 | 0 | 116.6 | | |
| 975 | R | 35.5 | Very low | 37.1 | Very low | 214 Ų | 214 | 133 Ų | 133 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | | | trans | 172.6 | 136.2 | 136.6 | -93.9 | 167.9 | 166.9 | 78.4 | 6.3 | 107.9 | | |
| 976 | L | 33.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | | | | 69.2 | 122.5 | 55.4 | -62.5 | 173.4 | 0 | 0 | 0 | 113 | | |
| 977 | G | 32.2 | Very low | 35.5 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | | | trans | 109.4 | 131.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 978 | S | 33.6 | Very low | 34.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | | | cis | 63.6 | 131.8 | 28.1 | -42.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 979 | E | 32.3 | Very low | 34 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | | | cis | -175.1 | 152 | 4.5 | 163 | 174 | 78.4 | 0 | 0 | 108.7 | | |
| 980 | E | 37.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | 52.3 | 138 | 166.1 | -69.9 | 176.2 | 130 | 0 | 0 | 119.8 | | |
| 981 | V | 31.6 | Very low | 33.9 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 60% | 0.6 | 69% | 0.693 | S | S | * | * | | | | 68.2 | 101.2 | 57.5 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 982 | E | 30.8 | Very low | 33.7 | Very low | 66 Ų | 66 | 126.3 Ų | 126.3 | 31% | 0.308 | 70% | 0.695 | S | S | . | * | | | | 86.7 | 127.7 | 76.3 | -154.8 | 172.5 | 168.3 | 0 | 0 | 111.9 | A132 N133 | A132-E982 WeakPolarHBondContact CA-OE1 3.49Å; A132-E982 VanDerWaalsContact N-CD 3.3Å; A132-E982 PolarHBondContact N-OE1 2.59Å; A132-E982 VanDerWaalsContact N-OE1 3.13Å; A132-E982 PolarHBondContact N-OE2 3.47Å; N133-E982 VanDerWaalsContact N-CD 3.28Å; N133-E982 PolarHBondContact N-OE1 2.86Å |
| 983 | S | 35.7 | Very low | 34.9 | Very low | 54 Ų | 54 | 127.5 Ų | 127.5 | 38% | 0.378 | 70% | 0.695 | S | S | . | * | | | cis | -166.7 | -140.1 | -8.5 | -102.6 | 0 | 0 | 0 | 0 | 111.8 | G135 L136 G137 | G135-S983 CarbonylContact C-O 3.52Å; G135-S983 PolarHBondContact N-O 3.05Å; L136-S983 PolarHBondContact N-O 2.81Å; L136-S983 VanDerWaalsContact N-O 3.08Å; G137-S983 PolarHBondContact N-O 3.26Å |
| 984 | E | 31.5 | Very low | 35.5 | Very low | 111 Ų | 111 | 126 Ų | 126 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | | | trans | -54 | 175 | 177.4 | -118.1 | -149.1 | 84.4 | 0 | 0 | 114.5 | E134 G135 L136 Q986 | E134-E984 CarbonylContact C-O 3.6Å; G135-E984 CarbonylContact C-O 3.57Å; G135-E984 WeakPolarHBondContact CA-O 3.41Å; G135-E984 PolarHBondContact N-O 3.46Å; L136-E984 PolarHBondContact N-O 2.96Å; E984-Q986 PolarHBondContact OE1-N 3.29Å |
| 985 | P | 45.4 | Very low | 35.3 | Very low | 55 Ų | 55 | 124.9 Ų | 124.9 | 36% | 0.357 | 70% | 0.699 | S | S | . | * | | | cis | -147.3 | 172.4 | 40 | 42.3 | -20.1 | 0 | 0 | 0 | 120.9 | | |
| 986 | Q | 30.1 | Very low | 35.1 | Very low | 159 Ų | 159 | 119.1 Ų | 119.1 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | | | trans | 80.8 | 113.1 | 159.5 | -50.5 | -145.7 | -8.3 | 0 | 0 | 116.8 | E984 | E984-Q986 PolarHBondContact OE1-N 3.29Š|
| 987 | V | 30.6 | Very low | 35.1 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | | | | 67.6 | 118.2 | 74.2 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 988 | E | 29.6 | Very low | 35.1 | Very low | 181 Ų | 181 | 122.8 Ų | 122.8 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | | | cis | -148.9 | -169 | 46.7 | -151.9 | 166 | -166.1 | 0 | 0 | 113.2 | | |
| 989 | S | 29.7 | Very low | 35.2 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | | | trans | -147.2 | -175.5 | -175.9 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 990 | P | 46.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | | | cis | -137.4 | -174.1 | -7.2 | 30.5 | -6.9 | 0 | 0 | 0 | 115.9 | | |
| 991 | T | 28.6 | Very low | 36.6 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | | | trans | 109.4 | 116.3 | 142.1 | -29.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 992 | H | 29.4 | Very low | 36.9 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 82% | 0.819 | 71% | 0.705 | S | S | * | * | | | trans | -57.7 | -179.5 | 161.7 | -67 | -90.7 | 0 | 0 | 0 | 114 | | |
| 993 | P | 56.6 | Low | 38.3 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | | | cis | -127.9 | -138.4 | 8.3 | 36.6 | -11.3 | 0 | 0 | 0 | 110.5 | | |
| 994 | P | 48.2 | Very low | 38.5 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | | | cis | -131.9 | -139.5 | -12.2 | 42.5 | -21.3 | 0 | 0 | 0 | 114 | | |
| 995 | S | 32.6 | Very low | 38.6 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -155.3 | 151.8 | -179.1 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 996 | A | 31.6 | Very low | 38.4 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -170.2 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 997 | K | 32.5 | Very low | 38.8 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | cis | -175.8 | 159.7 | -46.1 | -125.9 | -176.7 | 178.8 | -178.3 | 0 | 111.4 | | |
| 998 | V | 33.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | | | trans | 70.5 | 151.9 | 149.2 | 162.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 999 | E | 35.6 | Very low | 41.7 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | | | cis | -179 | 130.5 | -28.6 | -175.2 | 163 | 154.3 | 0 | 0 | 114.1 | | |
| 1000 | S | 39.5 | Very low | 42.1 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | 55.4 | -171 | 149.6 | -134.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1001 | P | 59 | Low | 41.6 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -135.2 | -171.1 | -5.8 | 42 | -21.3 | 0 | 0 | 0 | 119.1 | | |
| 1002 | Q | 38.4 | Very low | 41.9 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -97.8 | -164.4 | -173.8 | -88.7 | -90.5 | -16.6 | 0 | 0 | 112.8 | | |
| 1003 | P | 59.1 | Low | 43.1 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | cis | -155.8 | -172.9 | 21.8 | 46.9 | -23.1 | 0 | 0 | 0 | 122.8 | | |
| 1004 | I | 39.5 | Very low | 42.1 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 82% | 0.821 | 77% | 0.773 | S | S | * | * | | | trans | 66.2 | 172.4 | 158.7 | 68.1 | 163.9 | 0 | 0 | 0 | 122.3 | | |
| 1005 | S | 34.8 | Very low | 41.3 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | | 178.3 | -179.9 | -51 | -151.9 | 0 | 0 | 0 | 0 | 109 | | |
| 1006 | S | 41.3 | Very low | 41.4 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | cis | -165.5 | 164.6 | 3.7 | 78.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1007 | K | 36.9 | Very low | 41.5 | Very low | 200 Ų | 200 | 128.5 Ų | 128.5 | 87% | 0.87 | 73% | 0.727 | S | S | * | * | | | trans | 92.4 | 138.1 | 149.3 | -76.2 | -172.1 | 171.3 | 179.8 | 0 | 125.8 | | |
| 1008 | P | 62.9 | Low | 42.1 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | | | trans | -122.4 | -136.2 | -166.5 | 31.6 | -3 | 0 | 0 | 0 | 111.4 | | |
| 1009 | P | 59.1 | Low | 41.9 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | | | cis | -146.6 | -172.1 | -8.5 | 45.2 | -24.1 | 0 | 0 | 0 | 119.3 | | |
| 1010 | A | 38.4 | Very low | 42 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | | | trans | 92.7 | 123.1 | 137.9 | 0 | 0 | 0 | 0 | 0 | 126.7 | | |
| 1011 | S | 35.2 | Very low | 42.4 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 80.5 | 113.1 | 132.5 | 61.4 | 0 | 0 | 0 | 0 | 127 | | |
| 1012 | H | 36.6 | Very low | 41.2 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | | | | 52.5 | 162.3 | 129.5 | -61.6 | -57.8 | 0 | 0 | 0 | 123.1 | | |
| 1013 | P | 53.5 | Low | 41.5 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | cis | -142.4 | -145.7 | 24.6 | 46.1 | -23.8 | 0 | 0 | 0 | 117.9 | | |
| 1014 | I | 34.9 | Very low | 40.9 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | | | trans | -112.7 | 160.5 | -159.6 | -66.9 | 155.4 | 0 | 0 | 0 | 114.2 | | |
| 1015 | G | 31.8 | Very low | 40.6 | Very low | 25 Ų | 25 | 128.1 Ų | 128.1 | 26% | 0.258 | 72% | 0.721 | S | S | . | * | | | trans | -166.8 | 158.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E47 | E47-G1015 VanDerWaalsContact CA-O 3.28Å; E47-G1015 WeakPolarHBondContact CA-O 3.49Å; E47-G1015 WeakPolarHBondContact CB-O 3.17Å; E47-G1015 WeakPolarHBondContact CG-O 3.36Å; E47-G1015 PolarHBondContact N-O 2.76Å |
| 1016 | N | 34.2 | Very low | 40.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 53% | 0.529 | 73% | 0.727 | S | S | . | * | | | trans | -97.5 | 163.9 | -163.2 | -68.4 | -119.7 | 0 | 0 | 0 | 118.3 | Q46 E47 | Q46-N1016 WeakPolarHBondContact CB-O 3.48Å; Q46-N1016 WeakPolarHBondContact CG-O 3.42Å; Q46-N1016 PolarHBondContact NE2-O 2.6Å; E47-N1016 VanDerWaalsContact CD-CA 3.5Å; E47-N1016 WeakPolarHBondContact OE1-CA 3.31Å |
| 1017 | K | 34.4 | Very low | 40.4 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | | | trans | -37.1 | 173 | 166.8 | -25.1 | 176.8 | -175.2 | 169.8 | 0 | 118.1 | E47 | E47-K1017 VanDerWaalsContact OE2-CE 3.25Å; E47-K1017 WeakPolarHBondContact OE2-CE 3.49Å; E47-K1017 WeakPolarHBondContact OE2-CG 3.44Å; E47-K1017 PolarHBondContact OE2-N 2.61Å |
| 1018 | P | 44.6 | Very low | 40.1 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | | | cis | -145.3 | 174 | 3.5 | 43.8 | -24.1 | 0 | 0 | 0 | 119.8 | | |
| 1019 | A | 30.5 | Very low | 38.6 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 69% | 0.686 | 73% | 0.734 | S | S | * | * | | | trans | 63.1 | 111.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 126.7 | | |
| 1020 | L | 38 | Very low | 37.6 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | | | | 63.7 | 168.5 | 128.1 | -66.9 | 175.7 | 0 | 0 | 0 | 121.3 | | |
| 1021 | P | 47.2 | Very low | 37.4 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | | | cis | -136.8 | 177.1 | 0.9 | 45.8 | -30 | 0 | 0 | 0 | 118.4 | | |
| 1022 | R | 34 | Very low | 37.4 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | | | trans | 68.5 | 161.4 | 157.3 | -58.5 | -149.2 | 170.7 | 173.1 | -4.6 | 121.1 | | |
| 1023 | K | 44.5 | Very low | 37.7 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -129.1 | 160.2 | -177.3 | -53.3 | 173.7 | -176.9 | 173.3 | 0 | 110.5 | | |
| 1024 | P | 45.8 | Very low | 37.3 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 52% | 0.519 | 74% | 0.738 | S | S | . | * | | | trans | -114.9 | 166.2 | 151.3 | 37.7 | -28.6 | 0 | 0 | 0 | 112.9 | | |
| 1025 | E | 33.3 | Very low | 37.3 | Very low | 180 Ų | 180 | 133.8 Ų | 133.8 | 84% | 0.841 | 74% | 0.741 | S | S | * | * | | | trans | -86.9 | 168.1 | 171.7 | -73 | 158.2 | 78.9 | 0 | 0 | 112.4 | | |
| 1026 | V | 40.3 | Very low | 37.7 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -163.4 | 156.3 | 145.8 | 127.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1027 | H | 31.1 | Very low | 37.6 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 89% | 0.889 | 79% | 0.788 | S | S | * | * | | | trans | -128.8 | 154.5 | -161.3 | -171.2 | 92 | 0 | 0 | 0 | 112.8 | | |
| 1028 | G | 32.5 | Very low | 37.4 | Very low | 66 Ų | 66 | 145.1 Ų | 145.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 84.2 | 162.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1029 | D | 31.1 | Very low | 37 | Very low | 162 Ų | 162 | 147.5 Ų | 147.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | cis | -161.9 | 164.9 | -10.5 | -177.3 | 33.7 | 0 | 0 | 0 | 110.9 | | |
| 1030 | A | 36.6 | Very low | 37.4 | Very low | 91 Ų | 91 | 149.3 Ų | 149.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | 64 | 133 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1031 | G | 34.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -174.4 | -14.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1032 | V | 35.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | 64.4 | 112.4 | 171.9 | -174 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1033 | K | 43.6 | Very low | 37.4 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | 24 | 158.3 | 133.2 | -58.3 | -178.7 | 179.1 | 179.2 | 0 | 121.6 | | |
| 1034 | P | 44.8 | Very low | 36.9 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | cis | -137.6 | 165.3 | 8.3 | 34.9 | -14 | 0 | 0 | 0 | 118.5 | | |
| 1035 | R | 34.4 | Very low | 36.1 | Very low | 231 Ų | 231 | 148 Ų | 148 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | | | trans | 26.9 | 127.9 | 144.5 | -67.3 | 180 | 166.8 | 175.7 | -5.5 | 120.9 | | |
| 1036 | R | 40.7 | Very low | 36.2 | Very low | 252 Ų | 252 | 144 Ų | 144 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | | | | -155.3 | 172.4 | 96.4 | -97.5 | -178.3 | -158.6 | -154 | 5.3 | 110.2 | | |
| 1037 | I | 31.8 | Very low | 36.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | -123 | 152.9 | -163.5 | -46.3 | 163.9 | 0 | 0 | 0 | 109.2 | | |
| 1038 | S | 31.7 | Very low | 36.8 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | -133.4 | 132.2 | 178.2 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1039 | E | 35.1 | Very low | 36.9 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | 61.6 | 157.5 | 158.8 | -92 | 179.7 | 100.9 | 0 | 0 | 118.8 | | |
| 1040 | P | 39.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | cis | -136.7 | 176.2 | 38 | 41.8 | -23.3 | 0 | 0 | 0 | 118.6 | | |
| 1041 | P | 40.1 | Very low | 38.1 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 62% | 0.623 | 82% | 0.817 | S | S | * | * | | | trans | -103.2 | -155 | 167.6 | 45 | -37.7 | 0 | 0 | 0 | 110.6 | | |
| 1042 | P | 51.6 | Low | 39.8 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | cis | -131.7 | 168.9 | -22.1 | 39.8 | -24.4 | 0 | 0 | 0 | 115.4 | | |
| 1043 | A | 28.6 | Very low | 41.6 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -161.7 | 111 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1044 | R | 32.8 | Very low | 43.2 | Very low | 258 Ų | 258 | 129.9 Ų | 129.9 | 97% | 0.974 | 77% | 0.77 | S | S | * | * | | | | 78.8 | 94.6 | 85.1 | -95.4 | -167 | 170.2 | -154.6 | -1.5 | 116.5 | | |
| 1045 | S | 29.8 | Very low | 45 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | -147.3 | 145.1 | 140.6 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1046 | A | 35.6 | Very low | 47.5 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | | | trans | -174.6 | 173.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1047 | P | 46.1 | Very low | 49.9 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | | | cis | -118.6 | 171.6 | -14.5 | 39.7 | -27.2 | 0 | 0 | 0 | 112.2 | | |
| 1048 | G | 36.5 | Very low | 52.8 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 89% | 0.887 | 70% | 0.697 | S | S | * | * | | | trans | 163.4 | 78.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1049 | G | 36.1 | Very low | 55.6 | Low | 75 Ų | 75 | 108.7 Ų | 108.7 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | | | trans | 179.2 | 115.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1050 | S | 41.8 | Very low | 58.2 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | -59.4 | 135.1 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | S1052 | S1050-S1052 PolarHBondContact O-N 2.99Š|
| 1051 | D | 51.5 | Low | 60.5 | Low | 161 Ų | 161 | 107.2 Ų | 107.2 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | | | trans | -56.8 | 112.2 | 175.9 | -132.3 | -27.7 | 0 | 0 | 0 | 109.5 | | |
| 1052 | S | 69.1 | Low | 62.9 | Low | 44 Ų | 44 | 110.2 Ų | 110.2 | 31% | 0.308 | 66% | 0.664 | S | S | . | * | | | trans | -72.2 | 125.1 | -173.5 | -62.3 | 0 | 0 | 0 | 0 | 108.6 | S1050 S1054 | S1050-S1052 PolarHBondContact O-N 2.99Å; S1052-S1054 PolarHBondContact O-N 2.94Å |
| 1053 | P | 72.8 | Confident | 64.6 | Low | 74 Ų | 74 | 110 Ų | 110 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | | | trans | -52.6 | 134.6 | -174.2 | 18.8 | -32.8 | 0 | 0 | 0 | 110.7 | W1055 I1056 | P1053-W1055 PolarHBondContact O-N 2.94Å; P1053-I1056 HydrophobicContact CG-CD1 3.82Å; P1053-I1056 HydrophobicContact CG-CG1 4.18Å; P1053-I1056 WeakPolarHBondContact O-CB 3.36Å; P1053-I1056 PolarHBondContact O-N 2.96Å |
| 1054 | S | 77.6 | Confident | 67.4 | Low | 94 Ų | 94 | 111.1 Ų | 111.1 | 66% | 0.657 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -42.5 | -36 | -160.2 | -179.4 | 0 | 0 | 0 | 0 | 116.5 | S1052 I1056 S1057 V1058 | S1052-S1054 PolarHBondContact O-N 2.94Å; S1054-I1056 VanDerWaalsContact C-N 3.28Å; S1054-I1056 PolarHBondContact O-N 2.88Å; S1054-S1057 PolarHBondContact O-N 3.09Å; S1054-S1057 VanDerWaalsContact O-N 3.11Å; S1054-V1058 PolarHBondContact O-N 2.87Å |
| 1055 | W | 82.4 | Confident | 69.8 | Low | 184 Ų | 184 | 102.8 Ų | 102.8 | 70% | 0.697 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60 | -32.4 | 175.4 | 71.3 | -93.5 | 0 | 0 | 0 | 113.8 | P1053 V1058 A1059 | P1053-W1055 PolarHBondContact O-N 2.94Å; W1055-V1058 PolarHBondContact O-N 3.46Å; W1055-A1059 VanDerWaalsContact O-CB 3.24Å; W1055-A1059 WeakPolarHBondContact O-CB 3.18Å; W1055-A1059 PolarHBondContact O-N 3.49Å |
| 1056 | I | 87.8 | Confident | 72.2 | Confident | 49 Ų | 49 | 105.7 Ų | 105.7 | 25% | 0.251 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69 | -40.8 | 173.8 | -59.5 | -174.1 | 0 | 0 | 0 | 110.4 | P1053 S1054 A1059 K1060 | P1053-I1056 HydrophobicContact CG-CD1 3.82Å; P1053-I1056 HydrophobicContact CG-CG1 4.18Å; P1053-I1056 WeakPolarHBondContact O-CB 3.36Å; P1053-I1056 PolarHBondContact O-N 2.96Å; S1054-I1056 VanDerWaalsContact C-N 3.28Å; S1054-I1056 PolarHBondContact O-N 2.88Å; I1056-A1059 PolarHBondContact O-N 3.46Å; I1056-K1060 HydrophobicContact CG2-CD 3.8Å; I1056-K1060 HydrophobicContact CG2-CG 4.24Å; I1056-K1060 VanDerWaalsContact O-CB 3.32Å; I1056-K1060 WeakPolarHBondContact O-CB 3.19Å; I1056-K1060 VanDerWaalsContact O-CG 3.31Å; I1056-K1060 WeakPolarHBondContact O-CG 3.29Å; I1056-K1060 PolarHBondContact O-N 2.9Å |
| 1057 | S | 90.1 | Very high | 74.4 | Confident | 61 Ų | 61 | 108.7 Ų | 108.7 | 43% | 0.427 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | S1054 Q1061 | S1054-S1057 PolarHBondContact O-N 3.09Å; S1054-S1057 VanDerWaalsContact O-N 3.11Å; S1057-Q1061 VanDerWaalsContact O-CB 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.29Å; S1057-Q1061 PolarHBondContact O-N 3.23Å |
| 1058 | V | 92.4 | Very high | 75.6 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 47% | 0.473 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 172 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | S1054 W1055 Q1061 K1062 | S1054-V1058 PolarHBondContact O-N 2.87Å; W1055-V1058 PolarHBondContact O-N 3.46Å; V1058-Q1061 PolarHBondContact O-N 2.77Å; V1058-K1062 PolarHBondContact O-N 2.89Å |
| 1059 | A | 91.3 | Very high | 76.5 | Confident | 48 Ų | 48 | 108.5 Ų | 108.5 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1055 I1056 Q1061 K1062 Q1063 | W1055-A1059 VanDerWaalsContact O-CB 3.24Å; W1055-A1059 WeakPolarHBondContact O-CB 3.18Å; W1055-A1059 PolarHBondContact O-N 3.49Å; I1056-A1059 PolarHBondContact O-N 3.46Å; A1059-Q1061 VanDerWaalsContact C-N 3.3Å; A1059-Q1061 PolarHBondContact O-N 3.44Å; A1059-K1062 PolarHBondContact O-N 2.89Å; A1059-Q1063 WeakPolarHBondContact O-CB 3.14Å; A1059-Q1063 PolarHBondContact O-N 3.21Å |
| 1060 | K | 89.1 | Confident | 77.7 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.9 | -32.7 | 174.2 | -70.6 | 176.2 | 74.3 | 170.6 | 0 | 111.6 | I1056 K1064 | I1056-K1060 HydrophobicContact CG2-CD 3.8Å; I1056-K1060 HydrophobicContact CG2-CG 4.24Å; I1056-K1060 VanDerWaalsContact O-CB 3.32Å; I1056-K1060 WeakPolarHBondContact O-CB 3.19Å; I1056-K1060 VanDerWaalsContact O-CG 3.31Å; I1056-K1060 WeakPolarHBondContact O-CG 3.29Å; I1056-K1060 PolarHBondContact O-N 2.9Å; K1060-K1064 WeakPolarHBondContact O-CB 3.02Å; K1060-K1064 PolarHBondContact O-N 3.4Å |
| 1061 | Q | 88.3 | Confident | 78.2 | Confident | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.4 | -40.6 | 172.3 | -172.6 | 169.8 | -2.4 | 0 | 0 | 112.2 | S1057 V1058 A1059 K1064 V1065 | S1057-Q1061 VanDerWaalsContact O-CB 3.27Å; S1057-Q1061 WeakPolarHBondContact O-CB 3.29Å; S1057-Q1061 PolarHBondContact O-N 3.23Å; V1058-Q1061 PolarHBondContact O-N 2.77Å; A1059-Q1061 VanDerWaalsContact C-N 3.3Å; A1059-Q1061 PolarHBondContact O-N 3.44Å; Q1061-K1064 PolarHBondContact O-N 2.83Å; Q1061-V1065 WeakPolarHBondContact O-CG2 3.11Å; Q1061-V1065 PolarHBondContact O-N 2.84Å |
| 1062 | K | 89.3 | Confident | 78.2 | Confident | 159 Ų | 159 | 107.2 Ų | 107.2 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 173 | -73.9 | -169.9 | 70.7 | -179.5 | 0 | 112.2 | V1058 A1059 K1064 V1065 Y1066 | V1058-K1062 PolarHBondContact O-N 2.89Å; A1059-K1062 PolarHBondContact O-N 2.89Å; K1062-K1064 VanDerWaalsContact C-N 3.33Å; K1062-V1065 PolarHBondContact O-N 3.5Å; K1062-Y1066 WeakPolarHBondContact O-CB 3.37Å; K1062-Y1066 PolarHBondContact O-N 3.5Å |
| 1063 | Q | 88 | Confident | 77.5 | Confident | 117 Ų | 117 | 110.2 Ų | 110.2 | 55% | 0.547 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -38.9 | 174.1 | -169.5 | -175.3 | 32 | 0 | 0 | 111.2 | A1059 Y1066 K1067 | A1059-Q1063 WeakPolarHBondContact O-CB 3.14Å; A1059-Q1063 PolarHBondContact O-N 3.21Å; Q1063-Y1066 PolarHBondContact O-N 2.81Å; Q1063-K1067 WeakPolarHBondContact O-CB 3.46Å; Q1063-K1067 PolarHBondContact O-N 2.95Å |
| 1064 | K | 88.1 | Confident | 76.4 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 52% | 0.522 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -47.1 | 174 | -179.4 | 168.5 | 177.9 | 172.4 | 0 | 111.3 | K1060 Q1061 K1062 Y1066 K1067 E1068 | K1060-K1064 WeakPolarHBondContact O-CB 3.02Å; K1060-K1064 PolarHBondContact O-N 3.4Å; Q1061-K1064 PolarHBondContact O-N 2.83Å; K1062-K1064 VanDerWaalsContact C-N 3.33Å; K1064-Y1066 VanDerWaalsContact C-N 3.32Å; K1064-Y1066 PolarHBondContact O-N 2.83Å; K1064-K1067 CarbonylContact O-C 3.55Å; K1064-K1067 PolarHBondContact O-N 3.31Å; K1064-E1068 WeakPolarHBondContact CE-OE1 3.4Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.14Å; K1064-E1068 HydrophobicContact CG-CG 4.15Å; K1064-E1068 WeakPolarHBondContact CG-OE2 3.4Å; K1064-E1068 IonicContact NZ-OE1 2.59Å; K1064-E1068 PolarHBondContact NZ-OE1 2.91Å; K1064-E1068 VanDerWaalsContact O-CB 3.32Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.34Å; K1064-E1068 PolarHBondContact O-N 2.89Å |
| 1065 | V | 82.9 | Confident | 74.9 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.3 | -45.2 | 173.6 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | Q1061 K1062 K1067 E1068 T1069 | Q1061-V1065 WeakPolarHBondContact O-CG2 3.11Å; Q1061-V1065 PolarHBondContact O-N 2.84Å; K1062-V1065 PolarHBondContact O-N 3.5Å; V1065-K1067 PolarHBondContact O-N 3.28Å; V1065-E1068 CarbonylContact O-C 3.58Å; V1065-E1068 PolarHBondContact O-N 2.9Å; V1065-T1069 PolarHBondContact O-N 3.26Å; V1065-T1069 PolarHBondContact O-OG1 3.13Å |
| 1066 | Y | 79.4 | Confident | 73 | Confident | 189 Ų | 189 | 109.5 Ų | 109.5 | 74% | 0.741 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -37.8 | 177.6 | -171.1 | -101.6 | 0 | 0 | 0 | 112.8 | K1062 Q1063 K1064 | K1062-Y1066 WeakPolarHBondContact O-CB 3.37Å; K1062-Y1066 PolarHBondContact O-N 3.5Å; Q1063-Y1066 PolarHBondContact O-N 2.81Å; K1064-Y1066 VanDerWaalsContact C-N 3.32Å; K1064-Y1066 PolarHBondContact O-N 2.83Å |
| 1067 | K | 81.6 | Confident | 70.9 | Confident | 159 Ų | 159 | 114.9 Ų | 114.9 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.9 | -25.6 | 174.3 | -74.7 | -162.1 | 171.7 | -161.3 | 0 | 114.3 | Q1063 K1064 V1065 | Q1063-K1067 WeakPolarHBondContact O-CB 3.46Å; Q1063-K1067 PolarHBondContact O-N 2.95Å; K1064-K1067 CarbonylContact O-C 3.55Å; K1064-K1067 PolarHBondContact O-N 3.31Å; V1065-K1067 PolarHBondContact O-N 3.28Å |
| 1068 | E | 70.9 | Confident | 68.8 | Low | 122 Ų | 122 | 121.2 Ų | 121.2 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -88.4 | -2.7 | 175.3 | -72 | -176.2 | 152 | 0 | 0 | 112.9 | K1064 V1065 P1070 | K1064-E1068 WeakPolarHBondContact CE-OE1 3.4Å; K1064-E1068 WeakPolarHBondContact CE-OE2 3.14Å; K1064-E1068 HydrophobicContact CG-CG 4.15Å; K1064-E1068 WeakPolarHBondContact CG-OE2 3.4Å; K1064-E1068 IonicContact NZ-OE1 2.59Å; K1064-E1068 PolarHBondContact NZ-OE1 2.91Å; K1064-E1068 VanDerWaalsContact O-CB 3.32Å; K1064-E1068 WeakPolarHBondContact O-CB 3.29Å; K1064-E1068 WeakPolarHBondContact O-CG 3.34Å; K1064-E1068 PolarHBondContact O-N 2.89Å; V1065-E1068 CarbonylContact O-C 3.58Å; V1065-E1068 PolarHBondContact O-N 2.9Å; E1068-P1070 WeakPolarHBondContact O-CD 3.36Å |
| 1069 | T | 55.3 | Low | 66.5 | Low | 91 Ų | 91 | 125.9 Ų | 125.9 | 56% | 0.558 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -113 | 69.4 | 160.4 | 58.4 | 0 | 0 | 0 | 0 | 111.1 | V1065 L1071 | V1065-T1069 PolarHBondContact O-N 3.26Å; V1065-T1069 PolarHBondContact O-OG1 3.13Å; T1069-L1071 PolarHBondContact O-N 3.27Å |
| 1070 | P | 62.5 | Low | 64 | Low | 51 Ų | 51 | 132.3 Ų | 132.3 | 33% | 0.331 | 64% | 0.637 | S | S | . | * | | | trans | -60.5 | 120.5 | 167.8 | 27.9 | -33.9 | 0 | 0 | 0 | 109.1 | E1068 N1072 E1073 | E1068-P1070 WeakPolarHBondContact O-CD 3.36Å; P1070-N1072 WeakPolarHBondContact CB-OD1 3.28Å; P1070-N1072 PolarHBondContact O-N 3.45Å; P1070-E1073 HydrophobicContact CG-CB 4.24Å; P1070-E1073 HydrophobicContact CG-CG 4.04Å; P1070-E1073 PolarHBondContact O-N 3.12Å |
| 1071 | L | 52.6 | Low | 61.6 | Low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -25.6 | -170.8 | -167.3 | 63.4 | 0 | 0 | 0 | 112.7 | T1069 | T1069-L1071 PolarHBondContact O-N 3.27Š|
| 1072 | N | 51.3 | Low | 59.3 | Low | 115 Ų | 115 | 137.8 Ų | 137.8 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -10.4 | 177.8 | 48.6 | -42.6 | 0 | 0 | 0 | 115.7 | P1070 I1074 T1075 V1076 | P1070-N1072 WeakPolarHBondContact CB-OD1 3.28Å; P1070-N1072 PolarHBondContact O-N 3.45Å; N1072-I1074 VanDerWaalsContact C-N 3.33Å; N1072-T1075 PolarHBondContact O-OG1 2.94Å; N1072-V1076 WeakPolarHBondContact O-CG2 3.39Å |
| 1073 | E | 54.9 | Low | 56.9 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -77.1 | -17.6 | 172.8 | -97.9 | -133.7 | 108.3 | 0 | 0 | 113.8 | P1070 K1077 | P1070-E1073 HydrophobicContact CG-CB 4.24Å; P1070-E1073 HydrophobicContact CG-CG 4.04Å; P1070-E1073 PolarHBondContact O-N 3.12Å; E1073-K1077 IonicContact OE1-NZ 2.6Å; E1073-K1077 PolarHBondContact OE1-NZ 3.12Å |
| 1074 | I | 48.1 | Very low | 54.6 | Low | 142 Ų | 142 | 144.2 Ų | 144.2 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -85.2 | -24 | -175.4 | -69.2 | 175.3 | 0 | 0 | 0 | 112.2 | N1072 | N1072-I1074 VanDerWaalsContact C-N 3.33Å |
| 1075 | T | 46.4 | Very low | 52.4 | Low | 95 Ų | 95 | 144.8 Ų | 144.8 | 58% | 0.583 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -84.8 | -49 | 179.9 | 48 | 0 | 0 | 0 | 0 | 112.7 | N1072 K1077 K1078 | N1072-T1075 PolarHBondContact O-OG1 2.94Å; T1075-K1077 VanDerWaalsContact C-N 3.34Å; T1075-K1077 PolarHBondContact O-N 2.73Å; T1075-K1078 WeakPolarHBondContact O-CB 3.33Å; T1075-K1078 PolarHBondContact O-N 2.87Å |
| 1076 | V | 43.7 | Very low | 49.9 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 60% | 0.6 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -61.3 | -35.5 | -168.6 | 178 | 0 | 0 | 0 | 0 | 113.6 | N1072 K1078 E1079 | N1072-V1076 WeakPolarHBondContact O-CG2 3.39Å; V1076-K1078 PolarHBondContact O-N 3.01Å; V1076-E1079 PolarHBondContact O-N 2.71Å |
| 1077 | K | 42.8 | Very low | 47.6 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 15.2 | -177.8 | -78.8 | 164.3 | 177.3 | 154.3 | 0 | 115.2 | E1073 T1075 | E1073-K1077 IonicContact OE1-NZ 2.6Å; E1073-K1077 PolarHBondContact OE1-NZ 3.12Å; T1075-K1077 VanDerWaalsContact C-N 3.34Å; T1075-K1077 PolarHBondContact O-N 2.73Å |
| 1078 | K | 47.2 | Very low | 45.6 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -15.4 | 177.1 | -166.4 | -177.2 | 168.7 | -159.7 | 0 | 113.7 | T1075 V1076 | T1075-K1078 WeakPolarHBondContact O-CB 3.33Å; T1075-K1078 PolarHBondContact O-N 2.87Å; V1076-K1078 PolarHBondContact O-N 3.01Å |
| 1079 | E | 43 | Very low | 44.4 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -23 | -166 | -155.1 | 168.5 | 136.6 | 0 | 0 | 114.8 | V1076 Q1081 | V1076-E1079 PolarHBondContact O-N 2.71Å; E1079-Q1081 PolarHBondContact O-N 3.05Å |
| 1080 | E | 39.8 | Very low | 43.1 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -89.6 | 21.7 | -165 | -146.7 | -162 | 125.9 | 0 | 0 | 116.3 | | |
| 1081 | Q | 38.8 | Very low | 41.7 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -144.8 | 64 | 178.3 | -74.7 | -158.1 | -4.5 | 0 | 0 | 116.4 | E1079 | E1079-Q1081 PolarHBondContact O-N 3.05Š|
| 1082 | E | 38.3 | Very low | 40.7 | Very low | 189 Ų | 189 | 151.4 Ų | 151.4 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -155.1 | 65 | 158.4 | -136.9 | 157.6 | -157.5 | 0 | 0 | 115.9 | | |
| 1083 | K | 39.5 | Very low | 39.9 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | | | trans | -133.7 | 83.2 | 175.2 | -76 | -178.6 | 179.4 | 165.8 | 0 | 116.4 | | |
| 1084 | K | 40.2 | Very low | 38.9 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | 66.3 | 173.9 | 150.1 | -62.2 | -171.4 | 178.8 | -174.1 | 0 | 117.2 | | |
| 1085 | P | 42.2 | Very low | 38 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -118 | -160.2 | -3.6 | 40.2 | -23.9 | 0 | 0 | 0 | 115 | | |
| 1086 | A | 29 | Very low | 37.3 | Very low | 91 Ų | 91 | 153.5 Ų | 153.5 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -143.6 | -160.7 | -158.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1087 | L | 32.3 | Very low | 36.5 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | | | trans | 92.3 | 159.6 | 173.2 | -55.6 | 172.9 | 0 | 0 | 0 | 117.6 | | |
| 1088 | P | 39.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | cis | -132.3 | 178 | -34.9 | 33.7 | -14.7 | 0 | 0 | 0 | 114.4 | | |
| 1089 | P | 45.7 | Very low | 35.2 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -116.9 | 167 | -165.1 | 41.6 | -33.6 | 0 | 0 | 0 | 118.3 | | |
| 1090 | N | 27.8 | Very low | 35.4 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -172.9 | 167.4 | 155.2 | -105.7 | -94.1 | 0 | 0 | 0 | 108.3 | | |
| 1091 | R | 32.5 | Very low | 35 | Very low | 202 Ų | 202 | 148.5 Ų | 148.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | cis | -178.1 | 169.7 | -35.3 | -173.5 | -169.4 | 158.1 | 111.4 | -2.2 | 107 | | |
| 1092 | E | 31.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | trans | 80.9 | 146.6 | 163.1 | -49.1 | -150.4 | 116.3 | 0 | 0 | 117.2 | | |
| 1093 | Q | 33.9 | Very low | 35.5 | Very low | 152 Ų | 152 | 143 Ų | 143 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | | | cis | -155.9 | 159.5 | -15 | -117.6 | -173 | 50.6 | 0 | 0 | 109.5 | | |
| 1094 | S | 35 | Very low | 35.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -116.6 | 137.3 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1095 | S | 29.4 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -177.5 | 176.9 | 152 | 46.8 | 0 | 0 | 0 | 0 | 112 | | |
| 1096 | S | 30.8 | Very low | 34.6 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -146.1 | 161 | -161.9 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1097 | S | 28.3 | Very low | 34.6 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | 70.2 | 155.1 | 171.3 | -121.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1098 | S | 29.8 | Very low | 34.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | cis | -151.6 | -171.6 | 8.2 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1099 | K | 31.5 | Very low | 34 | Very low | 196 Ų | 196 | 137.3 Ų | 137.3 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | -89.2 | -167.4 | -173.4 | -63.8 | -179.6 | -179.9 | 176.3 | 0 | 111.1 | | |
| 1100 | P | 47 | Very low | 33.3 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | | | cis | -146.2 | -174.2 | 6.4 | 45.9 | -26.2 | 0 | 0 | 0 | 118.2 | | |
| 1101 | L | 32 | Very low | 33.8 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | | -158.7 | 176.6 | 128.5 | -105 | 171.5 | 0 | 0 | 0 | 111.3 | | |
| 1102 | E | 32.8 | Very low | 33.8 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -121.7 | -174.7 | -155.2 | -97.2 | -162.3 | 92.5 | 0 | 0 | 114.2 | | |
| 1103 | P | 54.8 | Low | 34.2 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | | | cis | -139.4 | -178 | -49.3 | 39.5 | -22.1 | 0 | 0 | 0 | 113.8 | | |
| 1104 | T | 31.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | | 158.4 | 106.1 | 124.4 | -62.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1105 | N | 34.2 | Very low | 34.3 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | | | trans | -25.6 | 163.9 | 153.8 | -65 | -70.6 | 0 | 0 | 0 | 118.8 | | |
| 1106 | R | 37.2 | Very low | 34.2 | Very low | 215 Ų | 215 | 149.9 Ų | 149.9 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | | | cis | -178.5 | 175.6 | -0 | -106.2 | 179.7 | -162.8 | -138.3 | -0.1 | 108.3 | | |
| 1107 | V | 28.8 | Very low | 34.1 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | cis | -171 | 173.7 | -15.1 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1108 | S | 29.2 | Very low | 34.1 | Very low | 95 Ų | 95 | 152.3 Ų | 152.3 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | 82.6 | 109 | 156.6 | -70.7 | 0 | 0 | 0 | 0 | 122 | | |
| 1109 | V | 31.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 153.4 Ų | 153.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | | | | 34.5 | 120.5 | 111.9 | -170.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1110 | E | 30 | Very low | 34.5 | Very low | 197 Ų | 197 | 150 Ų | 150 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | | -165.3 | -172 | 113.1 | -106.2 | -167.3 | 151.8 | 0 | 0 | 113 | | |
| 1111 | K | 39.2 | Very low | 33.6 | Very low | 184 Ų | 184 | 150 Ų | 150 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -117.9 | 169.4 | -155.9 | -174.6 | -171.9 | 171.4 | -159.8 | 0 | 112.5 | | |
| 1112 | E | 31.3 | Very low | 34 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | 98.9 | 163 | 150.7 | -150.5 | 152.4 | 126.7 | 0 | 0 | 118.3 | | |
| 1113 | T | 39.2 | Very low | 34 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | -118.6 | 146.4 | -162.1 | 57 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1114 | R | 34.2 | Very low | 33.3 | Very low | 246 Ų | 246 | 146.9 Ų | 146.9 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | | | trans | -176.6 | 163.4 | 132.9 | -99.1 | 157.4 | -159.4 | -98.2 | 0.8 | 112.1 | | |
| 1115 | R | 37.6 | Very low | 33.7 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | | | trans | -65.4 | 142.5 | -178.4 | -63.9 | 168.3 | 166.6 | 145.4 | -5.9 | 112.1 | | |
| 1116 | T | 28.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | | 179.3 | 143.2 | 111.6 | 27.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1117 | F | 27.9 | Very low | 34 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 82% | 0.82 | 78% | 0.777 | S | S | * | * | | | trans | 31.6 | 125.3 | 153.8 | -64.8 | -70.3 | 0 | 0 | 0 | 124.9 | | |
| 1118 | S | 27.5 | Very low | 34.6 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | | 79.2 | 102.2 | 129.6 | -59.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1119 | V | 31.6 | Very low | 34.8 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | | 48.2 | 121.3 | 104.2 | 175 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1120 | P | 38.3 | Very low | 35 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | -146.2 | 153.3 | 82.7 | 39.2 | -21.9 | 0 | 0 | 0 | 119.4 | | |
| 1121 | T | 28.2 | Very low | 34.9 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -89.9 | 157 | 171.5 | -34.8 | 0 | 0 | 0 | 0 | 111.9 | V1123 | T1121-V1123 HydrophobicContact CG2-CG2 4.04Š|
| 1122 | P | 40.9 | Very low | 34.5 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -103 | 120.5 | 157.2 | 33.7 | -25.9 | 0 | 0 | 0 | 112.3 | | |
| 1123 | V | 33 | Very low | 34.5 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -142.2 | 125.2 | 171.3 | 170.6 | 0 | 0 | 0 | 0 | 110 | T1121 | T1121-V1123 HydrophobicContact CG2-CG2 4.04Š|
| 1124 | P | 40.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -141.8 | 172.2 | 137.6 | 26.9 | -6.7 | 0 | 0 | 0 | 112.5 | | |
| 1125 | P | 39 | Very low | 34.2 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | cis | -126 | 159.6 | 9.3 | 39 | -23.8 | 0 | 0 | 0 | 117 | | |
| 1126 | Q | 32.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -105.9 | 174.9 | 154.2 | -56.1 | -167.9 | -41.4 | 0 | 0 | 108.9 | | |
| 1127 | P | 44.2 | Very low | 33.8 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -152.3 | -177.9 | 87.5 | 40.1 | -22.2 | 0 | 0 | 0 | 114.6 | | |
| 1128 | P | 41.3 | Very low | 34.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | cis | -126.3 | 177.2 | -24 | 24.7 | -2.7 | 0 | 0 | 0 | 114.1 | | |
| 1129 | K | 34.2 | Very low | 35.3 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | | | trans | -108.1 | 171.2 | 167 | -57.9 | 174.1 | -174.2 | 175.3 | 0 | 110.5 | | |
| 1130 | P | 35.2 | Very low | 35.3 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | | -137.9 | 132.5 | 100.7 | 32.3 | -18 | 0 | 0 | 0 | 112.5 | | |
| 1131 | L | 29.1 | Very low | 35.5 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | | | | 86.7 | 103.7 | 64.6 | -76.4 | 171.3 | 0 | 0 | 0 | 115.6 | | |
| 1132 | L | 30.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 49.9 | 122.8 | 142.2 | -70.1 | 167.2 | 0 | 0 | 0 | 121.4 | | |
| 1133 | Q | 31.4 | Very low | 35.3 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | | -170.2 | 179.8 | 113 | -106.1 | 156 | 99.2 | 0 | 0 | 115.4 | | |
| 1134 | K | 24.9 | Very low | 35.7 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -127.5 | -171.6 | -178.3 | -168.2 | -178.7 | 174 | -179.5 | 0 | 107.2 | | |
| 1135 | P | 41.5 | Very low | 35.4 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | | | | -95.8 | -161.4 | -85.7 | 40 | -25.7 | 0 | 0 | 0 | 114.2 | | |
| 1136 | Q | 27.9 | Very low | 35.7 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | | | trans | 101.2 | 154 | 156.2 | -149.4 | 165.8 | 16.6 | 0 | 0 | 117.2 | | |
| 1137 | A | 30.1 | Very low | 35.6 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | -137 | -169.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1138 | P | 46.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | cis | -114.9 | -167.6 | -24.8 | 40.4 | -25.4 | 0 | 0 | 0 | 111 | | |
| 1139 | P | 41.1 | Very low | 34.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | | -153.7 | 165 | 90.9 | 39.8 | -21.1 | 0 | 0 | 0 | 117.2 | | |
| 1140 | T | 30.8 | Very low | 34.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | | | trans | -99.8 | 153.8 | 161.8 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1141 | P | 41.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | | -140.7 | 179.8 | 84.6 | 41 | -24.3 | 0 | 0 | 0 | 112.5 | | |
| 1142 | A | 31 | Very low | 34.6 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | cis | -144.9 | 164.5 | 15.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1143 | K | 35.3 | Very low | 34.6 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -82 | 164.5 | 169.1 | -128 | -174.3 | -179.5 | 176.5 | 0 | 109.9 | | |
| 1144 | P | 40.1 | Very low | 34.7 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | | -134.6 | 157 | 60 | 36.7 | -20.6 | 0 | 0 | 0 | 116.5 | | |
| 1145 | S | 35.4 | Very low | 35.6 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 53% | 0.531 | 76% | 0.758 | S | S | . | * | | | trans | -128.9 | 144.9 | 161.4 | 157.1 | 0 | 0 | 0 | 0 | 107.2 | R1147 | S1145-R1147 PolarHBondContact OG-N 3.16Š|
| 1146 | P | 45.6 | Very low | 35 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | | -113.8 | 136.4 | 126.6 | -5.5 | 26.1 | 0 | 0 | 0 | 110.2 | | |
| 1147 | R | 29.9 | Very low | 35.2 | Very low | 215 Ų | 215 | 128 Ų | 128 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | | 75.3 | 142.8 | 73.5 | -69.6 | 177.1 | 176.9 | -108.3 | 3.7 | 113.3 | S1145 | S1145-R1147 PolarHBondContact OG-N 3.16Š|
| 1148 | S | 29.6 | Very low | 35.9 | Very low | 81 Ų | 81 | 129.2 Ų | 129.2 | 57% | 0.566 | 76% | 0.76 | S | S | * | * | | | cis | -174.4 | -177.3 | -13.1 | -97.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1149 | D | 29.9 | Very low | 36.2 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 80 | 90.6 | 147.7 | -52.1 | -40.2 | 0 | 0 | 0 | 118.9 | | |
| 1150 | S | 33.2 | Very low | 36.5 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | | -50.8 | 153.2 | 129.8 | -40.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1151 | P | 42.5 | Very low | 36.6 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | | | | -157 | 166.4 | 71.7 | 45 | -25.9 | 0 | 0 | 0 | 118 | | |
| 1152 | R | 28 | Very low | 36.2 | Very low | 226 Ų | 226 | 129.4 Ų | 129.4 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | | 42.4 | 122.2 | 128.5 | -169.3 | -171.8 | -150.9 | -102 | 6.7 | 118.9 | | |
| 1153 | S | 30.9 | Very low | 36.2 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | | 169.1 | 130.1 | 104.1 | -154.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1154 | S | 32.2 | Very low | 36 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | -65.7 | 172.3 | 149.3 | -27.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1155 | P | 44.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | | | cis | -148 | -174.5 | 27.5 | 43.9 | -22.7 | 0 | 0 | 0 | 117.5 | | |
| 1156 | A | 29.5 | Very low | 36.9 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | 53.8 | 122.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1157 | K | 31.1 | Very low | 37.3 | Very low | 202 Ų | 202 | 132 Ų | 132 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | | | | 20.4 | 152.3 | 118.5 | -101.9 | -176.9 | 179.3 | 174.8 | 0 | 120.1 | | |
| 1158 | P | 45.4 | Very low | 37.2 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | cis | -136.1 | -134.1 | 2.5 | 47.4 | -26 | 0 | 0 | 0 | 112.8 | | |
| 1159 | P | 51.9 | Low | 37.3 | Very low | 113 Ų | 113 | 129 Ų | 129 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -115.3 | -163.5 | -151.2 | 43.8 | -21.3 | 0 | 0 | 0 | 113.3 | | |
| 1160 | P | 49.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | | | | -154.8 | -162.8 | 73.5 | 43.5 | -20.5 | 0 | 0 | 0 | 116.8 | | |
| 1161 | V | 30.9 | Very low | 38.6 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 158.7 | -163.9 | -71.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1162 | L | 33.8 | Very low | 38.1 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 46.1 | 131.5 | 143.9 | -86.5 | 77.7 | 0 | 0 | 0 | 122 | | |
| 1163 | S | 32.1 | Very low | 38.3 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | | 171.7 | 134.1 | 107.8 | -80.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1164 | K | 30.7 | Very low | 38.5 | Very low | 196 Ų | 196 | 130 Ų | 130 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | | | trans | 69.6 | 153 | 146.3 | -95.4 | 66.8 | 175.2 | -178.3 | 0 | 122.3 | | |
| 1165 | T | 36 | Very low | 39.1 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -138.2 | -163.4 | -172.2 | 58.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1166 | P | 57.9 | Low | 38.5 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -113.9 | -104.8 | -14.7 | 31.5 | -8.5 | 0 | 0 | 0 | 111.5 | | |
| 1167 | P | 54.1 | Low | 38.6 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | cis | -132 | 169.5 | -3 | 43.5 | -26.4 | 0 | 0 | 0 | 117.6 | | |
| 1168 | V | 28.5 | Very low | 39.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | 62.6 | 135.4 | 146.4 | 161.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1169 | A | 30.8 | Very low | 38.6 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | cis | -164.7 | 168.1 | -17.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1170 | S | 37.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -90.1 | -177.8 | -176.4 | -33.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1171 | P | 52.3 | Low | 37.6 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | | | | -159.8 | 164.1 | 63.5 | 42.5 | -20.5 | 0 | 0 | 0 | 121.6 | | |
| 1172 | R | 33.6 | Very low | 37.8 | Very low | 233 Ų | 233 | 134.2 Ų | 134.2 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | trans | 67 | 160 | 146.1 | -85.6 | -179.9 | 164.6 | -140.9 | -5.3 | 120.2 | | |
| 1173 | T | 30.8 | Very low | 38 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | cis | -142.7 | 173 | 8.8 | 34.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1174 | V | 34.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -136.4 | 156.3 | 172.6 | -154.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1175 | P | 46.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | | -151 | -175.9 | 118.3 | 39 | -20.1 | 0 | 0 | 0 | 116.6 | | |
| 1176 | E | 30.9 | Very low | 38.9 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -79.9 | -177 | -170.3 | -32.9 | -173.4 | 86.4 | 0 | 0 | 115.4 | | |
| 1177 | K | 32.7 | Very low | 38.1 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | | | cis | -161.7 | -148.4 | 12.9 | -139.6 | 146.1 | -173.6 | 137.1 | 0 | 107 | | |
| 1178 | P | 43.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | cis | -135.6 | 177.7 | -29.1 | 40.5 | -21.5 | 0 | 0 | 0 | 117.1 | | |
| 1179 | A | 31 | Very low | 38 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | 53 | 113.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 126.7 | | |
| 1180 | S | 36.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 57.8 | 157.2 | 132.5 | -99.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1181 | P | 43.8 | Very low | 39.6 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | | | cis | -106.8 | 179.8 | 26.7 | 40.9 | -36.4 | 0 | 0 | 0 | 117 | | |
| 1182 | Q | 34.4 | Very low | 39.7 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 149.7 | -169.1 | -67.4 | 176.8 | -92.4 | 0 | 0 | 115.6 | | |
| 1183 | R | 39.6 | Very low | 41.2 | Very low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 143.9 | 169.8 | -176.1 | -177.4 | -68.1 | -174.4 | -2.2 | 110.6 | | |
| 1184 | G | 35.3 | Very low | 43.9 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1185 | S | 36 | Very low | 46.7 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.8 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1186 | P | 46 | Very low | 48.9 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68 | 157.7 | 171.7 | 30.5 | -35.7 | 0 | 0 | 0 | 112.1 | | |
| 1187 | P | 41 | Very low | 52.1 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.8 | 176.6 | 28.3 | -35.2 | 0 | 0 | 0 | 111.6 | | |
| 1188 | A | 39.5 | Very low | 55 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1190 | A1188-L1190 PolarHBondContact O-N 3.21Š|
| 1189 | T | 40.3 | Very low | 57.5 | Low | 136 Ų | 136 | 118.5 Ų | 118.5 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 128.7 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1190 | L | 48.6 | Very low | 60.6 | Low | 145 Ų | 145 | 119 Ų | 119 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 137.1 | 167.9 | -76.5 | 164.5 | 0 | 0 | 0 | 110.2 | A1188 Q1192 | A1188-L1190 PolarHBondContact O-N 3.21Å; L1190-Q1192 PolarHBondContact O-N 3.19Å |
| 1191 | P | 53.9 | Low | 63.5 | Low | 89 Ų | 89 | 116 Ų | 116 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | | | trans | -70.1 | 95.8 | 173.6 | 29.2 | -33.5 | 0 | 0 | 0 | 109.9 | N1193 | P1191-N1193 PolarHBondContact O-N 3.2Š|
| 1192 | Q | 53.4 | Low | 66.1 | Low | 185 Ų | 185 | 115 Ų | 115 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -64.5 | 8.5 | 174.5 | -80 | -84.9 | -58 | 0 | 0 | 114.3 | L1190 | L1190-Q1192 PolarHBondContact O-N 3.19Š|
| 1193 | N | 66.9 | Low | 69.1 | Low | 160 Ų | 160 | 113.7 Ų | 113.7 | 86% | 0.856 | 64% | 0.636 | S | S | * | * | | | trans | -137.4 | 49.2 | -176 | -153.4 | -13.9 | 0 | 0 | 0 | 110.8 | P1191 | P1191-N1193 PolarHBondContact O-N 3.2Š|
| 1194 | E | 85.9 | Confident | 71.9 | Confident | 44 Ų | 44 | 108.3 Ų | 108.3 | 21% | 0.206 | 62% | 0.62 | C | S | . | * | | | trans | -105.1 | 120.7 | 170.6 | 171.2 | 154.4 | -149.6 | 0 | 0 | 109.3 | M1198 A1199 K1202 | E1194-M1198 HydrophobicContact CB-CE 4.49Å; E1194-M1198 HydrophobicContact CG-CB 4.05Å; E1194-M1198 HydrophobicContact CG-CE 3.84Å; E1194-M1198 WeakPolarHBondContact OE1-CB 3.43Å; E1194-M1198 WeakPolarHBondContact OE1-CE 3.28Å; E1194-M1198 VanDerWaalsContact OE1-CG 3.31Å; E1194-M1198 WeakPolarHBondContact OE1-CG 3.3Å; E1194-A1199 HydrophobicContact CG-CB 4.12Å; E1194-A1199 PolarHBondContact OE1-N 3.29Å; E1194-K1202 WeakPolarHBondContact OE1-CD 3.43Å; E1194-K1202 WeakPolarHBondContact OE1-CE 3.49Å; E1194-K1202 IonicContact OE1-NZ 2.72Å; E1194-K1202 PolarHBondContact OE1-NZ 3.13Å; E1194-K1202 IonicContact OE2-NZ 3.81Å; E1194-K1202 PolarHBondContact OE2-NZ 3.07Å |
| 1195 | P | 94.3 | Very high | 74.8 | Confident | 49 Ų | 49 | 108.1 Ų | 108.1 | 32% | 0.318 | 61% | 0.612 | S | S | . | * | | | trans | -64.6 | 147.1 | -179.7 | 26.7 | -35.2 | 0 | 0 | 0 | 111 | W1197 M1198 A1199 | P1195-W1197 HydrophobicContact CG-CZ2 4.11Å; P1195-W1197 PolarHBondContact O-N 3.35Å; P1195-M1198 HydrophobicContact CG-CB 4.09Å; P1195-M1198 PolarHBondContact O-N 3.4Å; P1195-A1199 PolarHBondContact O-N 3.03Å |
| 1196 | P | 93.6 | Very high | 77.8 | Confident | 114 Ų | 114 | 108.9 Ų | 108.9 | 74% | 0.74 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.1 | -33.4 | -170.6 | -29.7 | 35.9 | 0 | 0 | 0 | 115 | M1198 L1200 | P1196-M1198 VanDerWaalsContact C-N 3.34Å; P1196-M1198 PolarHBondContact O-N 3.09Å; P1196-L1200 WeakPolarHBondContact O-CB 3.31Å; P1196-L1200 PolarHBondContact O-N 3.33Å |
| 1197 | W | 96.3 | Very high | 80.2 | Confident | 177 Ų | 177 | 106.1 Ų | 106.1 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -34.1 | 177 | 68 | -101.9 | 0 | 0 | 0 | 112.8 | P1195 L1200 A1201 | P1195-W1197 HydrophobicContact CG-CZ2 4.11Å; P1195-W1197 PolarHBondContact O-N 3.35Å; W1197-L1200 PolarHBondContact O-N 3.17Å; W1197-A1201 WeakPolarHBondContact O-CB 3.21Å; W1197-A1201 PolarHBondContact O-N 3.2Å |
| 1198 | M | 94.9 | Very high | 82.9 | Confident | 68 Ų | 68 | 109.1 Ų | 109.1 | 34% | 0.335 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -79.9 | -35.8 | -179 | -162.4 | 171.4 | 68.8 | 0 | 0 | 110.9 | E1194 P1195 P1196 L1200 A1201 K1202 | E1194-M1198 HydrophobicContact CB-CE 4.49Å; E1194-M1198 HydrophobicContact CG-CB 4.05Å; E1194-M1198 HydrophobicContact CG-CE 3.84Å; E1194-M1198 WeakPolarHBondContact OE1-CB 3.43Å; E1194-M1198 WeakPolarHBondContact OE1-CE 3.28Å; E1194-M1198 VanDerWaalsContact OE1-CG 3.31Å; E1194-M1198 WeakPolarHBondContact OE1-CG 3.3Å; P1195-M1198 HydrophobicContact CG-CB 4.09Å; P1195-M1198 PolarHBondContact O-N 3.4Å; P1196-M1198 VanDerWaalsContact C-N 3.34Å; P1196-M1198 PolarHBondContact O-N 3.09Å; M1198-L1200 VanDerWaalsContact C-N 3.3Å; M1198-L1200 PolarHBondContact O-N 3.44Å; M1198-A1201 WeakPolarHBondContact O-CB 3.34Å; M1198-A1201 PolarHBondContact O-N 3.48Å; M1198-K1202 WeakPolarHBondContact O-CG 3.14Å; M1198-K1202 PolarHBondContact O-N 3.47Å |
| 1199 | A | 96.4 | Very high | 85.6 | Confident | 39 Ų | 39 | 108.7 Ų | 108.7 | 32% | 0.322 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.9 | -39.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | E1194 P1195 K1203 | E1194-A1199 HydrophobicContact CG-CB 4.12Å; E1194-A1199 PolarHBondContact OE1-N 3.29Å; P1195-A1199 PolarHBondContact O-N 3.03Å; A1199-K1203 WeakPolarHBondContact O-CG 3.44Å; A1199-K1203 PolarHBondContact O-N 3.04Å |
| 1200 | L | 96.3 | Very high | 88.3 | Confident | 102 Ų | 102 | 105.7 Ų | 105.7 | 53% | 0.534 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 172.6 | -177.6 | 62.5 | 0 | 0 | 0 | 111.7 | P1196 W1197 M1198 K1202 K1203 K1204 | P1196-L1200 WeakPolarHBondContact O-CB 3.31Å; P1196-L1200 PolarHBondContact O-N 3.33Å; W1197-L1200 PolarHBondContact O-N 3.17Å; M1198-L1200 VanDerWaalsContact C-N 3.3Å; M1198-L1200 PolarHBondContact O-N 3.44Å; L1200-K1202 PolarHBondContact O-N 3.46Å; L1200-K1203 PolarHBondContact O-N 3.29Å; L1200-K1204 HydrophobicContact CG-CD 4.4Å; L1200-K1204 WeakPolarHBondContact O-CG 3.5Å; L1200-K1204 PolarHBondContact O-N 2.96Å |
| 1201 | A | 97.7 | Very high | 90.5 | Very high | 46 Ų | 46 | 103.1 Ų | 103.1 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W1197 M1198 K1204 A1205 | W1197-A1201 WeakPolarHBondContact O-CB 3.21Å; W1197-A1201 PolarHBondContact O-N 3.2Å; M1198-A1201 WeakPolarHBondContact O-CB 3.34Å; M1198-A1201 PolarHBondContact O-N 3.48Å; A1201-K1204 PolarHBondContact O-N 3.27Å; A1201-A1205 WeakPolarHBondContact O-CB 3.33Å; A1201-A1205 PolarHBondContact O-N 2.68Å |
| 1202 | K | 97.6 | Very high | 92.4 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 174.1 | -72.4 | -179 | -172.3 | 163.6 | 0 | 112.6 | E1194 M1198 L1200 A1205 K1206 | E1194-K1202 WeakPolarHBondContact OE1-CD 3.43Å; E1194-K1202 WeakPolarHBondContact OE1-CE 3.49Å; E1194-K1202 IonicContact OE1-NZ 2.72Å; E1194-K1202 PolarHBondContact OE1-NZ 3.13Å; E1194-K1202 IonicContact OE2-NZ 3.81Å; E1194-K1202 PolarHBondContact OE2-NZ 3.07Å; M1198-K1202 WeakPolarHBondContact O-CG 3.14Å; M1198-K1202 PolarHBondContact O-N 3.47Å; L1200-K1202 PolarHBondContact O-N 3.46Å; K1202-A1205 PolarHBondContact O-N 3.04Å; K1202-K1206 WeakPolarHBondContact O-CB 3.41Å; K1202-K1206 PolarHBondContact O-N 2.56Å |
| 1203 | K | 97.6 | Very high | 94.2 | Very high | 159 Ų | 159 | 100.5 Ų | 100.5 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 173.6 | -80.3 | -177.7 | 174.3 | -177.6 | 0 | 112 | A1199 L1200 K1206 A1207 | A1199-K1203 WeakPolarHBondContact O-CG 3.44Å; A1199-K1203 PolarHBondContact O-N 3.04Å; L1200-K1203 PolarHBondContact O-N 3.29Å; K1203-K1206 PolarHBondContact O-N 3.25Å; K1203-A1207 WeakPolarHBondContact O-CB 3.49Å; K1203-A1207 PolarHBondContact O-N 2.71Å |
| 1204 | K | 97.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 98.5 Ų | 98.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.7 | -47.1 | 176.3 | -69.1 | -179.1 | 73.9 | 173.8 | 0 | 111.4 | L1200 A1201 K1206 A1207 W1208 | L1200-K1204 HydrophobicContact CG-CD 4.4Å; L1200-K1204 WeakPolarHBondContact O-CG 3.5Å; L1200-K1204 PolarHBondContact O-N 2.96Å; A1201-K1204 PolarHBondContact O-N 3.27Å; K1204-K1206 VanDerWaalsContact C-N 3.32Å; K1204-K1206 PolarHBondContact O-N 3.14Å; K1204-A1207 PolarHBondContact O-N 2.99Å; K1204-W1208 PolarHBondContact O-N 3.39Å |
| 1205 | A | 97.5 | Very high | 95.3 | Very high | 64 Ų | 64 | 102.1 Ų | 102.1 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1201 K1202 S1209 | A1201-A1205 WeakPolarHBondContact O-CB 3.33Å; A1201-A1205 PolarHBondContact O-N 2.68Å; K1202-A1205 PolarHBondContact O-N 3.04Å; A1205-S1209 WeakPolarHBondContact O-CB 3.44Å; A1205-S1209 PolarHBondContact O-N 2.67Å |
| 1206 | K | 97.5 | Very high | 94.1 | Very high | 133 Ų | 133 | 110.2 Ų | 110.2 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.5 | -50.9 | 173.1 | 179.7 | 170.8 | 172.1 | 177.5 | 0 | 111.5 | K1202 K1203 K1204 W1208 S1209 E1210 | K1202-K1206 WeakPolarHBondContact O-CB 3.41Å; K1202-K1206 PolarHBondContact O-N 2.56Å; K1203-K1206 PolarHBondContact O-N 3.25Å; K1204-K1206 VanDerWaalsContact C-N 3.32Å; K1204-K1206 PolarHBondContact O-N 3.14Å; K1206-W1208 VanDerWaalsContact C-N 3.28Å; K1206-W1208 PolarHBondContact O-N 2.73Å; K1206-S1209 CarbonylContact O-C 2.77Å; K1206-S1209 WeakPolarHBondContact O-CB 3.21Å; K1206-S1209 PolarHBondContact O-N 3.21Å; K1206-E1210 WeakPolarHBondContact CE-OE2 3.35Å; K1206-E1210 IonicContact NZ-OE2 2.86Å; K1206-E1210 PolarHBondContact NZ-OE2 2.79Å; K1206-E1210 WeakPolarHBondContact O-CB 3.41Å; K1206-E1210 PolarHBondContact O-N 2.84Å |
| 1207 | A | 97.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 110 Ų | 110 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.8 | -39.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1203 K1204 E1210 M1211 | K1203-A1207 WeakPolarHBondContact O-CB 3.49Å; K1203-A1207 PolarHBondContact O-N 2.71Å; K1204-A1207 PolarHBondContact O-N 2.99Å; A1207-E1210 PolarHBondContact O-N 2.63Å; A1207-M1211 WeakPolarHBondContact O-CB 3.37Å; A1207-M1211 PolarHBondContact O-N 2.81Å |
| 1208 | W | 96.9 | Very high | 94 | Very high | 186 Ų | 186 | 106.5 Ų | 106.5 | 71% | 0.705 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.4 | -29.8 | 175.9 | -78.1 | 63.2 | 0 | 0 | 0 | 113.3 | K1204 K1206 M1211 P1212 | K1204-W1208 PolarHBondContact O-N 3.39Å; K1206-W1208 VanDerWaalsContact C-N 3.28Å; K1206-W1208 PolarHBondContact O-N 2.73Å; W1208-M1211 HydrophobicContact CD2-CE 4.36Å; W1208-P1212 WeakPolarHBondContact O-CD 3.39Å |
| 1209 | S | 96.8 | Very high | 94 | Very high | 91 Ų | 91 | 108.6 Ų | 108.6 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -75.3 | -25.3 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 113.4 | A1205 K1206 | A1205-S1209 WeakPolarHBondContact O-CB 3.44Å; A1205-S1209 PolarHBondContact O-N 2.67Å; K1206-S1209 CarbonylContact O-C 2.77Å; K1206-S1209 WeakPolarHBondContact O-CB 3.21Å; K1206-S1209 PolarHBondContact O-N 3.21Å |
| 1210 | E | 96.6 | Very high | 93.8 | Very high | 74 Ų | 74 | 112.7 Ų | 112.7 | 35% | 0.346 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -90.7 | -26 | -178.4 | -156.1 | 165.4 | 117.7 | 0 | 0 | 111.6 | K1206 A1207 Q1213 I1214 | K1206-E1210 WeakPolarHBondContact CE-OE2 3.35Å; K1206-E1210 IonicContact NZ-OE2 2.86Å; K1206-E1210 PolarHBondContact NZ-OE2 2.79Å; K1206-E1210 WeakPolarHBondContact O-CB 3.41Å; K1206-E1210 PolarHBondContact O-N 2.84Å; A1207-E1210 PolarHBondContact O-N 2.63Å; E1210-Q1213 CarbonylContact O-C 3.57Å; E1210-Q1213 WeakPolarHBondContact O-CA 3.41Å; E1210-Q1213 WeakPolarHBondContact O-CB 3.05Å; E1210-Q1213 PolarHBondContact O-N 2.73Å; E1210-I1214 HydrophobicContact CB-CD1 4.26Å; E1210-I1214 HydrophobicContact CG-CD1 3.98Å; E1210-I1214 HydrophobicContact CG-CG1 4.41Å; E1210-I1214 WeakPolarHBondContact O-CG1 3.34Å; E1210-I1214 PolarHBondContact O-N 2.94Å |
| 1211 | M | 95.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 113.4 Ų | 113.4 | 44% | 0.443 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -54.6 | -40.2 | -179.3 | -169.8 | 146.6 | 58.7 | 0 | 0 | 114.7 | A1207 W1208 Q1213 I1214 V1215 | A1207-M1211 WeakPolarHBondContact O-CB 3.37Å; A1207-M1211 PolarHBondContact O-N 2.81Å; W1208-M1211 HydrophobicContact CD2-CE 4.36Å; M1211-Q1213 PolarHBondContact O-N 2.84Å; M1211-I1214 PolarHBondContact O-N 3.1Å; M1211-I1214 VanDerWaalsContact O-N 3.07Å; M1211-V1215 HydrophobicContact CG-CG2 4.2Å; M1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; M1211-V1215 PolarHBondContact O-N 3.23Å |
| 1212 | P | 93.9 | Very high | 93.4 | Very high | 75 Ų | 75 | 117.9 Ų | 117.9 | 49% | 0.487 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -17.2 | 172.7 | -22.5 | 34.9 | 0 | 0 | 0 | 114.9 | W1208 Q1216 | W1208-P1212 WeakPolarHBondContact O-CD 3.39Å; P1212-Q1216 VanDerWaalsContact O-CG 3.3Å; P1212-Q1216 WeakPolarHBondContact O-CG 3.37Å |
| 1213 | Q | 90.6 | Very high | 93.1 | Very high | 144 Ų | 144 | 118.5 Ų | 118.5 | 67% | 0.673 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -95.8 | -9.8 | 174.9 | -50.4 | -172 | -77.4 | 0 | 0 | 112.9 | E1210 M1211 | E1210-Q1213 CarbonylContact O-C 3.57Å; E1210-Q1213 WeakPolarHBondContact O-CA 3.41Å; E1210-Q1213 WeakPolarHBondContact O-CB 3.05Å; E1210-Q1213 PolarHBondContact O-N 2.73Å; M1211-Q1213 PolarHBondContact O-N 2.84Å |
| 1214 | I | 87.1 | Confident | 92.8 | Very high | 119 Ų | 119 | 115.4 Ų | 115.4 | 61% | 0.61 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -98.5 | -20.6 | 176.6 | -64.1 | 165.2 | 0 | 0 | 0 | 110.7 | E1210 M1211 | E1210-I1214 HydrophobicContact CB-CD1 4.26Å; E1210-I1214 HydrophobicContact CG-CD1 3.98Å; E1210-I1214 HydrophobicContact CG-CG1 4.41Å; E1210-I1214 WeakPolarHBondContact O-CG1 3.34Å; E1210-I1214 PolarHBondContact O-N 2.94Å; M1211-I1214 PolarHBondContact O-N 3.1Å; M1211-I1214 VanDerWaalsContact O-N 3.07Å |
| 1215 | V | 89.7 | Confident | 92.3 | Very high | 119 Ų | 119 | 114.1 Ų | 114.1 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | | | trans | -95.5 | 0.6 | 178 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | M1211 | M1211-V1215 HydrophobicContact CG-CG2 4.2Å; M1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; M1211-V1215 PolarHBondContact O-N 3.23Å |
| 1216 | Q | 69.1 | Low | 91.9 | Very high | 219 Ų | 219 | 118.6 Ų | 118.6 | 100% | 1.023 | 61% | 0.607 | S | S | * | * | | | trans | -108.1 | 0 | 173.8 | -74.1 | 179.5 | 3.4 | 0 | 0 | 110.9 | P1212 | P1212-Q1216 VanDerWaalsContact O-CG 3.3Å; P1212-Q1216 WeakPolarHBondContact O-CG 3.37Å |