==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-OCT-07 3B6N . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX SAI-1; . AUTHOR A.K.WERNIMONT,J.LEW,I.KOZIERADZKI,Y.H.LIN,X.SUN,C.KHUU, . 150 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A G 0 0 87 0, 0.0 149,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 71.6 -11.9 17.7 15.5 2 5 A V E -A 149 0A 103 147,-0.2 2,-0.4 81,-0.0 147,-0.2 -0.991 360.0-169.5-126.9 139.1 -12.0 21.0 13.6 3 6 A R E -A 148 0A 83 145,-2.6 145,-3.8 -2,-0.4 2,-0.3 -0.999 16.6-145.9-135.3 138.0 -9.2 22.2 11.3 4 7 A I E -A 147 0A 136 -2,-0.4 2,-0.3 143,-0.2 143,-0.2 -0.692 18.7-172.8 -87.5 140.8 -8.1 25.4 9.5 5 8 A G E -A 146 0A 4 141,-2.2 141,-2.4 -2,-0.3 2,-0.3 -0.992 1.3-172.2-134.0 155.3 -6.3 25.2 6.1 6 9 A Q E +A 145 0A 137 48,-0.4 2,-0.3 -2,-0.3 139,-0.2 -0.986 3.4 179.8-144.9 143.0 -4.7 28.0 4.1 7 10 A G E -A 144 0A 7 137,-2.5 137,-2.2 -2,-0.3 2,-0.3 -0.994 6.3-165.9-146.3 160.2 -3.2 28.2 0.6 8 11 A Y E +A 143 0A 94 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.999 7.7 172.5-145.5 142.7 -1.6 30.7 -1.7 9 12 A D E -A 142 0A 30 133,-2.1 133,-2.3 -2,-0.3 2,-0.3 -0.991 4.2-178.7-149.7 149.0 -0.7 30.9 -5.4 10 13 A I E -A 141 0A 71 -2,-0.3 2,-0.3 131,-0.2 131,-0.2 -0.992 5.3-178.5-138.0 140.4 0.6 33.6 -7.8 11 14 A H E -A 140 0A 13 129,-2.5 129,-2.8 -2,-0.3 2,-0.3 -0.995 30.7-114.6-137.7 150.8 1.3 33.5 -11.6 12 15 A Q E -A 139 0A 108 28,-0.5 28,-2.9 -2,-0.3 127,-0.3 -0.591 39.5-170.9 -70.3 134.7 2.6 35.9 -14.1 13 16 A I E -D 39 0B 2 125,-1.6 2,-0.3 -2,-0.3 26,-0.2 -0.862 16.4-156.2-121.0 161.3 0.0 36.8 -16.7 14 17 A R E -D 38 0B 163 24,-1.7 24,-2.8 -2,-0.3 124,-0.1 -0.987 24.0-129.2-128.7 140.6 -0.0 38.8 -20.0 15 18 A V S S+ 0 0 77 -2,-0.3 123,-0.0 22,-0.2 24,-0.0 0.647 76.4 103.0 -64.9 -13.4 -3.1 40.4 -21.5 16 19 A G S S- 0 0 34 2,-0.1 22,-0.3 21,-0.1 -2,-0.2 -0.232 84.4-111.0 -54.3 152.0 -2.6 38.8 -25.0 17 20 A P - 0 0 86 0, 0.0 21,-0.2 0, 0.0 19,-0.1 -0.718 50.1-107.1 -63.4 145.5 -4.6 35.8 -26.2 18 21 A P 0 0 56 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 0.805 360.0 360.0 -53.0 -40.9 -1.6 33.2 -26.1 19 22 A E 0 0 144 -3,-0.0 -3,-0.0 0, 0.0 5,-0.0 0.891 360.0 360.0 -87.5 360.0 -1.0 33.0 -29.9 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 41 A K 0 0 138 0, 0.0 2,-0.3 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -82.0 9.4 24.2 -17.4 22 42 A Q + 0 0 93 18,-0.1 2,-0.3 2,-0.0 20,-0.3 -0.711 360.0 166.5-104.1 142.9 7.1 27.3 -17.9 23 43 A S E -E 41 0B 67 18,-1.9 18,-1.9 -2,-0.3 2,-0.4 -0.978 40.7 -95.7-145.4 161.9 5.3 28.8 -20.9 24 44 A F E +E 40 0B 72 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.621 55.4 153.1 -78.8 122.7 2.6 31.3 -21.9 25 45 A K E -E 39 0B 55 14,-2.1 14,-2.8 -2,-0.4 2,-0.2 -0.841 52.0 -61.6-135.2 176.4 -0.8 29.6 -22.4 26 46 A R E -E 38 0B 100 -2,-0.3 12,-0.3 12,-0.2 9,-0.2 -0.476 63.8-108.5 -57.6 126.9 -4.5 30.4 -22.2 27 47 A L E -E 34 0B 0 10,-3.4 7,-2.6 7,-0.8 2,-0.4 -0.321 32.1-168.9 -56.7 135.2 -5.4 31.3 -18.6 28 48 A T E +E 33 0B 18 16,-0.7 19,-0.4 5,-0.2 2,-0.4 -0.997 9.9 173.6-119.0 133.1 -7.5 28.8 -16.6 29 49 A I E > S-E 32 0B 0 3,-2.3 3,-1.5 -2,-0.4 17,-0.1 -0.948 71.4 -8.0-141.9 121.7 -8.9 30.1 -13.3 30 50 A G T 3 S- 0 0 0 -2,-0.4 79,-0.2 1,-0.3 80,-0.1 0.764 129.7 -58.4 61.7 24.9 -11.3 28.0 -11.1 31 51 A G T 3 S+ 0 0 29 1,-0.2 -1,-0.3 78,-0.1 37,-0.0 0.474 115.4 121.1 84.1 2.9 -11.4 25.5 -14.0 32 52 A V E < - E 0 29B 4 -3,-1.5 -3,-2.3 2,-0.0 -1,-0.2 -0.885 60.3-133.0-104.2 121.3 -12.7 28.3 -16.3 33 53 A P E - E 0 28B 61 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.497 12.1-164.4 -68.8 142.4 -10.8 29.2 -19.5 34 54 A V E > - E 0 27B 18 -7,-2.6 3,-1.7 3,-0.2 -7,-0.8 -0.872 3.6-171.8-124.7 94.6 -10.1 32.9 -20.1 35 55 A E E 3 S+ 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 -7,-0.0 0.686 78.5 63.1 -66.8 -13.4 -9.1 32.9 -23.8 36 56 A T E 3 S+ 0 0 96 -19,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.342 98.6 58.0 -94.8 8.2 -8.2 36.6 -23.6 37 57 A I E < - 0 0 5 -3,-1.7 -10,-3.4 -10,-0.1 2,-0.3 -0.999 69.1-147.2-136.3 139.4 -5.4 36.3 -21.0 38 58 A S E -DE 14 26B 6 -24,-2.8 -24,-1.7 -2,-0.4 2,-0.4 -0.702 12.6-152.0 -98.2 153.8 -2.2 34.2 -21.2 39 59 A V E -DE 13 25B 0 -14,-2.8 -14,-2.1 -2,-0.3 2,-0.8 -0.982 13.5-133.8-129.4 138.2 -0.6 32.7 -18.1 40 60 A L E + E 0 24B 31 -28,-2.9 -28,-0.5 -2,-0.4 2,-0.3 -0.811 53.1 138.5 -86.6 105.4 3.1 31.8 -17.4 41 61 A S E - E 0 23B 0 -18,-1.9 -18,-1.9 -2,-0.8 -2,-0.1 -0.999 62.9-144.9-154.9 152.1 3.0 28.3 -16.0 42 62 A H S S+ 0 0 108 -2,-0.3 -1,-0.2 -20,-0.3 2,-0.1 0.927 104.3 22.7 -65.2 -57.2 4.3 24.8 -15.7 43 63 A S S S- 0 0 15 -3,-0.1 -20,-0.2 22,-0.0 23,-0.2 -0.069 122.7 -64.5 -90.4-164.7 0.8 23.5 -15.3 44 64 A D - 0 0 17 21,-2.4 -16,-0.7 1,-0.1 22,-0.1 0.587 68.5-126.8 -64.5 -12.0 -2.5 25.1 -16.4 45 65 A G + 0 0 0 1,-0.2 2,-1.1 20,-0.2 3,-0.1 0.744 42.5 172.1 77.5 24.2 -1.6 27.9 -13.9 46 66 A D > - 0 0 0 1,-0.2 4,-2.4 -17,-0.1 -1,-0.2 -0.583 14.1-173.2 -72.2 98.5 -4.9 27.8 -12.0 47 67 A V H > S+ 0 0 2 -2,-1.1 4,-2.0 -19,-0.4 5,-0.2 0.852 83.4 50.6 -60.9 -34.3 -4.3 30.0 -9.0 48 68 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.954 113.2 40.9 -72.5 -52.7 -7.7 29.1 -7.6 49 69 A F H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 116.8 51.8 -65.8 -38.0 -7.4 25.3 -7.8 50 70 A H H X S+ 0 0 44 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.945 113.8 40.2 -62.3 -49.1 -3.8 25.4 -6.7 51 71 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 93,-0.2 0.829 116.8 50.9 -72.7 -32.4 -4.4 27.5 -3.5 52 72 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.947 108.7 50.2 -68.4 -46.8 -7.5 25.6 -2.7 53 73 A V H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.901 112.3 50.0 -54.2 -41.7 -5.8 22.3 -3.0 54 74 A D H X S+ 0 0 66 -4,-1.8 4,-2.3 -5,-0.2 -48,-0.4 0.879 107.1 53.5 -66.4 -38.5 -3.1 23.7 -0.7 55 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -50,-0.2 -49,-0.2 0.924 109.9 47.6 -57.8 -48.4 -5.7 24.9 1.8 56 76 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.934 114.5 44.9 -67.0 -47.0 -7.3 21.4 2.0 57 77 A L H ><>S+ 0 0 28 -4,-2.2 5,-2.5 2,-0.2 3,-1.1 0.938 112.1 52.7 -57.7 -47.3 -4.0 19.5 2.5 58 78 A G H ><5S+ 0 0 32 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.909 105.1 56.3 -54.1 -40.0 -2.8 22.1 5.0 59 79 A G H 3<5S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.798 114.6 38.3 -58.7 -27.7 -6.1 21.4 6.8 60 80 A M T <<5S- 0 0 11 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.287 116.0-114.0-104.2 6.5 -5.1 17.8 7.0 61 81 A S T < 5S+ 0 0 94 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.783 75.7 128.3 47.1 36.1 -1.4 18.5 7.6 62 82 A C < 0 0 41 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.562 360.0 360.0 -94.6 175.8 -0.4 17.0 4.3 63 83 A S 0 0 137 -2,-0.2 -5,-0.1 -3,-0.1 -6,-0.1 0.912 360.0 360.0 -68.2 360.0 1.9 18.9 1.7 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 99 A K 0 0 103 0, 0.0 -21,-2.4 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -39.6 -1.0 19.9 -15.7 66 100 A N > - 0 0 92 -23,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.637 360.0-160.9 -69.1 108.7 -4.9 19.9 -15.4 67 101 A S T 3> S+ 0 0 5 -2,-0.7 4,-1.6 1,-0.3 -1,-0.1 0.548 81.5 79.0 -83.1 -1.8 -5.4 21.0 -11.7 68 102 A L H 3> S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.843 89.7 60.8 -61.2 -35.0 -8.9 19.7 -11.6 69 103 A S H <> S+ 0 0 45 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.907 103.1 47.3 -55.7 -47.1 -7.0 16.4 -11.2 70 104 A F H > S+ 0 0 54 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.862 110.1 53.5 -60.6 -37.5 -5.4 17.7 -7.9 71 105 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.909 108.4 48.7 -72.1 -39.2 -8.8 18.9 -6.7 72 106 A R H X S+ 0 0 136 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.855 110.1 51.6 -63.8 -37.9 -10.4 15.5 -7.2 73 107 A Y H X S+ 0 0 156 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.893 106.1 54.7 -63.7 -42.2 -7.5 13.7 -5.4 74 108 A A H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.921 103.9 56.1 -55.0 -44.4 -8.0 16.2 -2.5 75 109 A R H X S+ 0 0 120 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.887 111.9 41.5 -51.6 -43.6 -11.6 15.0 -2.5 76 110 A L H X S+ 0 0 105 -4,-1.3 4,-3.4 2,-0.2 -2,-0.2 0.882 112.7 53.4 -75.1 -42.4 -10.3 11.3 -2.0 77 111 A L H X S+ 0 0 52 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.929 107.9 51.2 -57.4 -46.4 -7.6 12.3 0.5 78 112 A L H <>S+ 0 0 8 -4,-2.9 5,-3.0 2,-0.2 4,-0.3 0.928 113.6 44.6 -53.0 -52.0 -10.3 14.1 2.7 79 113 A Y H ><5S+ 0 0 156 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.930 113.4 50.7 -56.7 -48.4 -12.5 10.9 2.6 80 114 A K H 3<5S+ 0 0 162 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 114.9 44.0 -58.4 -36.7 -9.4 8.6 3.3 81 115 A R T 3<5S- 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.376 115.6-115.5 -92.1 2.3 -8.4 10.8 6.3 82 116 A N T < 5 + 0 0 76 -3,-1.2 69,-2.6 -4,-0.3 2,-0.4 0.816 67.3 134.3 72.4 35.2 -12.0 11.1 7.6 83 117 A Y E < -B 150 0A 19 -5,-3.0 2,-0.4 67,-0.2 67,-0.2 -0.925 37.3-160.4-117.3 144.9 -12.6 14.8 7.1 84 118 A A E -B 149 0A 39 65,-2.9 65,-3.4 -2,-0.4 2,-0.5 -0.903 26.2-114.9-112.8 152.5 -15.4 16.8 5.7 85 119 A I E -B 148 0A 14 -2,-0.4 63,-0.2 63,-0.2 3,-0.1 -0.717 20.4-171.8 -79.2 124.3 -15.3 20.3 4.5 86 120 A A E - 0 0 40 61,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.940 69.4 -45.8 -68.2 -61.0 -17.4 22.7 6.5 87 121 A N E -B 147 0A 64 60,-0.9 60,-2.6 29,-0.0 -1,-0.4 -0.966 47.5-137.4-160.5 169.3 -16.7 25.5 3.9 88 122 A V E -Bc 146 121A 1 32,-2.3 34,-1.8 -2,-0.3 2,-0.4 -0.980 10.5-161.6-132.1 147.4 -14.1 27.2 1.8 89 123 A D E -Bc 145 122A 75 56,-2.2 56,-1.9 -2,-0.3 2,-0.4 -0.993 11.8-167.2-134.1 125.4 -13.6 30.9 1.1 90 124 A I E -Bc 144 123A 0 32,-3.0 34,-1.8 -2,-0.4 2,-0.5 -0.898 9.7-168.2-123.1 135.1 -11.4 32.1 -1.8 91 125 A I E -Bc 143 124A 68 52,-2.9 52,-2.3 -2,-0.4 2,-0.5 -0.984 3.8-164.5-122.7 124.7 -10.0 35.5 -2.8 92 126 A V E -Bc 142 125A 1 32,-2.6 34,-2.3 -2,-0.5 2,-0.6 -0.922 5.8-160.0 -97.2 124.8 -8.5 36.3 -6.2 93 127 A I E +Bc 141 126A 30 48,-2.5 48,-2.1 -2,-0.5 2,-0.3 -0.953 37.6 135.4-105.2 110.1 -6.5 39.4 -6.3 94 128 A A - 0 0 3 32,-2.5 5,-0.1 -2,-0.6 46,-0.1 -0.971 55.3-150.0-159.8 131.6 -6.3 40.4 -10.0 95 129 A E S S+ 0 0 25 39,-0.7 -1,-0.1 44,-0.4 40,-0.1 0.907 90.2 49.1 -63.6 -49.5 -6.6 43.6 -12.0 96 130 A V S S+ 0 0 30 38,-0.2 -1,-0.4 1,-0.1 2,-0.1 -0.983 87.5 45.2-137.3 149.7 -7.9 41.2 -14.8 97 131 A P S S- 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.543 77.2-131.3 -81.0 155.8 -9.9 39.0 -15.2 98 132 A K - 0 0 108 1,-0.1 4,-0.4 -2,-0.1 -3,-0.1 -0.465 12.4-152.1 -56.7 139.1 -13.0 40.2 -13.4 99 133 A I S >> S+ 0 0 10 -2,-0.2 4,-0.8 -5,-0.1 3,-0.6 0.829 79.3 74.1 -88.4 -33.9 -14.3 37.5 -11.2 100 134 A S H >> S+ 0 0 104 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.866 92.7 52.2 -49.8 -50.9 -18.1 38.4 -11.2 101 135 A P H 34 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.883 121.8 31.3 -55.5 -38.7 -18.9 37.1 -14.8 102 136 A I H <> S+ 0 0 29 -3,-0.6 4,-2.3 -4,-0.4 -2,-0.2 0.310 92.7 100.3-102.8 5.9 -17.4 33.7 -14.2 103 137 A R H S+ 0 0 77 2,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.884 111.5 46.5 -66.8 -44.9 -19.2 28.8 -13.0 106 140 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.936 111.6 52.3 -64.2 -46.9 -16.1 28.5 -10.9 107 141 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.870 110.9 48.8 -56.8 -42.2 -18.3 27.9 -7.8 108 142 A R H X S+ 0 0 121 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.907 109.7 51.4 -62.9 -44.4 -20.0 25.1 -9.7 109 143 A N H X S+ 0 0 47 -4,-2.6 4,-1.6 -79,-0.2 -2,-0.2 0.861 115.6 41.9 -59.6 -39.1 -16.6 23.7 -10.8 110 144 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 6,-0.2 0.910 113.6 50.6 -74.2 -52.1 -15.5 23.7 -7.1 111 145 A S H X>S+ 0 0 9 -4,-3.0 5,-2.1 -5,-0.2 4,-1.2 0.966 115.7 44.9 -39.5 -64.3 -18.8 22.4 -5.6 112 146 A S H <5S+ 0 0 88 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.892 111.0 49.4 -47.1 -55.2 -18.8 19.6 -8.1 113 147 A A H <5S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 118.6 38.4 -68.6 -29.1 -15.2 18.4 -7.8 114 148 A L H <5S- 0 0 9 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.513 107.8-119.5-100.2 -7.7 -15.2 18.3 -4.0 115 149 A G T <5S+ 0 0 43 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.887 73.3 116.3 71.2 42.8 -18.7 16.9 -3.6 116 150 A I < - 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