==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-12 4GBM . COMPND 2 MOLECULE: CURM SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOOREA PRODUCTA; . AUTHOR J.G.MCCARTHY,J.L.SMITH . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 1 1 0 2 3 0 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 26 A S 0 0 149 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.9 55.4 33.4 47.8 2 27 A R - 0 0 129 1,-0.1 124,-0.3 124,-0.1 123,-0.1 -0.338 360.0-121.1 -76.4 149.2 53.5 30.9 45.7 3 28 A L E -a 126 0A 28 122,-3.0 124,-3.0 1,-0.1 3,-0.1 -0.425 44.2 -79.9 -78.0 159.6 53.3 27.2 46.5 4 29 A P E -a 127 0A 90 0, 0.0 -1,-0.1 0, 0.0 124,-0.1 -0.301 65.6 -85.7 -56.7 146.6 54.5 24.5 44.0 5 30 A G - 0 0 22 122,-0.8 2,-0.2 121,-0.1 100,-0.1 -0.149 46.0-169.9 -59.6 147.1 51.9 23.9 41.3 6 31 A I - 0 0 4 -3,-0.1 124,-2.5 98,-0.1 2,-0.5 -0.505 28.0 -96.0-118.3-170.0 49.1 21.4 41.7 7 32 A I E -bc 106 130B 4 98,-2.4 100,-3.3 122,-0.2 2,-0.4 -0.970 33.9-164.9-114.1 128.5 46.5 20.0 39.3 8 33 A F E -bc 107 131B 3 122,-2.8 124,-3.2 -2,-0.5 2,-0.6 -0.905 11.6-152.0-108.9 141.4 43.0 21.5 39.1 9 34 A I E -bc 108 132B 0 98,-2.1 100,-1.2 -2,-0.4 2,-0.5 -0.967 20.1-170.3-107.0 116.2 39.9 19.9 37.5 10 35 A L E + c 0 133B 2 122,-2.9 124,-2.5 -2,-0.6 2,-0.3 -0.909 21.1 130.8-108.5 132.7 37.6 22.7 36.2 11 36 A S E - c 0 134B 0 -2,-0.5 102,-0.4 98,-0.4 124,-0.1 -0.991 54.7 -93.2-165.1 164.4 34.1 22.0 35.0 12 37 A S > - 0 0 0 122,-0.5 3,-0.8 -2,-0.3 5,-0.2 -0.485 63.8 -83.1 -69.5 155.0 30.4 22.8 35.0 13 38 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 132,-0.1 -0.231 113.7 26.4 -51.4 153.1 28.3 20.8 37.5 14 39 A R T 3 S+ 0 0 33 1,-0.1 130,-0.1 130,-0.1 131,-0.1 0.708 82.1 122.5 66.9 26.9 27.2 17.3 36.3 15 40 A S S < S- 0 0 0 -3,-0.8 -1,-0.1 119,-0.1 178,-0.1 0.265 91.7 -93.8-104.0 11.9 30.1 16.8 33.9 16 41 A G S > S+ 0 0 17 226,-0.1 4,-2.3 3,-0.1 5,-0.2 0.703 78.5 143.1 81.7 23.4 31.5 13.6 35.4 17 42 A S H > S+ 0 0 7 -5,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 70.0 50.1 -64.6 -38.0 34.0 15.5 37.5 18 43 A T H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 109.0 51.9 -66.8 -47.0 33.7 13.0 40.5 19 44 A L H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.947 112.4 46.7 -51.1 -50.5 34.2 10.0 38.2 20 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 111.8 48.8 -60.7 -45.8 37.4 11.7 36.8 21 46 A R H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.885 112.0 50.4 -64.5 -33.2 38.7 12.6 40.3 22 47 A V H X S+ 0 0 0 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.890 108.0 52.3 -71.4 -40.3 38.0 9.0 41.5 23 48 A M H >< S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 4,-0.2 0.952 112.1 46.2 -54.7 -50.5 39.9 7.6 38.5 24 49 A L H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.3 6,-0.2 0.775 97.6 72.3 -65.9 -27.0 42.9 9.8 39.3 25 50 A A H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.726 90.5 62.0 -59.8 -22.8 42.7 8.8 43.0 26 51 A G T << S+ 0 0 16 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.648 80.6 100.6 -77.1 -16.7 44.0 5.4 42.0 27 52 A H X - 0 0 4 -3,-1.7 3,-1.6 -4,-0.2 5,-0.1 -0.551 69.3-141.7 -78.9 132.2 47.3 6.7 40.7 28 53 A S T 3 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 75,-0.1 0.678 100.9 52.7 -65.2 -19.2 50.3 6.3 43.0 29 54 A S T 3 S+ 0 0 41 185,-0.1 75,-2.6 74,-0.1 2,-0.3 0.484 106.2 64.3 -91.6 -6.1 51.7 9.7 42.0 30 55 A L E < -e 104 0C 5 -3,-1.6 2,-0.4 73,-0.3 75,-0.2 -0.808 58.8-156.3-122.6 154.7 48.5 11.6 42.7 31 56 A F E +e 105 0C 10 73,-2.4 75,-2.7 -2,-0.3 -6,-0.1 -0.966 20.1 175.1-130.1 117.4 46.2 12.4 45.7 32 57 A S + 0 0 1 -2,-0.4 -7,-0.2 73,-0.2 75,-0.1 -0.798 8.2 172.7-133.0 86.3 42.7 13.2 44.6 33 58 A P - 0 0 4 0, 0.0 75,-0.4 0, 0.0 3,-0.2 -0.330 40.3 -84.2 -90.4 169.9 40.2 13.8 47.4 34 59 A P S S- 0 0 2 0, 0.0 203,-0.1 0, 0.0 29,-0.1 -0.276 83.1 -49.1 -59.4 163.4 36.5 14.9 47.6 35 60 A E - 0 0 21 201,-0.3 24,-0.6 1,-0.1 25,-0.5 -0.038 48.3-164.2 -45.9 126.5 36.1 18.7 47.6 36 61 A L - 0 0 1 23,-0.2 -1,-0.1 72,-0.2 24,-0.1 0.702 17.7-148.4 -85.3 -23.1 38.4 20.4 50.1 37 62 A H + 0 0 14 1,-0.1 -2,-0.1 22,-0.0 14,-0.0 0.855 62.5 115.2 53.4 41.3 36.5 23.8 50.0 38 63 A L > + 0 0 0 2,-0.1 3,-2.5 1,-0.0 51,-0.1 0.845 53.4 68.6 -99.9 -49.4 39.7 25.7 50.6 39 64 A L T 3 S+ 0 0 3 1,-0.3 50,-0.1 50,-0.1 51,-0.0 0.736 93.4 57.7 -49.7 -36.6 40.2 27.8 47.4 40 65 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.630 102.3 67.5 -71.0 -9.2 37.2 30.2 47.9 41 66 A F < - 0 0 20 -3,-2.5 48,-0.1 1,-0.1 3,-0.1 -0.775 60.4-154.4-118.1 153.4 38.5 31.4 51.3 42 67 A N S S+ 0 0 89 -2,-0.3 47,-2.2 1,-0.2 48,-0.4 0.824 82.4 19.0 -88.5 -36.7 41.4 33.4 52.6 43 68 A T B > S-F 88 0D 33 45,-0.3 4,-2.1 46,-0.1 45,-0.2 -0.916 74.1-115.7-135.8 159.2 41.6 32.0 56.2 44 69 A M H > S+ 0 0 0 43,-2.6 4,-2.3 -2,-0.3 39,-0.2 0.795 115.4 53.8 -67.2 -30.1 40.4 28.9 58.1 45 70 A K H > S+ 0 0 78 42,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 108.0 50.4 -68.0 -42.2 38.0 31.0 60.3 46 71 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 112.2 48.4 -56.1 -48.2 36.4 32.5 57.2 47 72 A R H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.917 111.1 49.0 -59.1 -47.9 36.0 29.0 55.9 48 73 A Q H < S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.9 44.1 -59.9 -41.8 34.5 27.7 59.1 49 74 A E H < S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 123.9 32.9 -73.4 -32.3 32.0 30.6 59.3 50 75 A Q H < S+ 0 0 114 -4,-2.0 2,-0.9 -5,-0.2 -2,-0.2 0.659 87.6 103.1-103.6 -20.9 31.0 30.6 55.7 51 76 A L < + 0 0 41 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.0 -0.557 39.1 158.6 -77.3 103.6 31.1 26.9 54.6 52 77 A N + 0 0 139 -2,-0.9 2,-0.3 0, 0.0 5,-0.0 -0.990 12.4 177.4-126.5 121.9 27.5 25.6 54.5 53 78 A L - 0 0 52 -2,-0.4 186,-0.2 2,-0.2 184,-0.0 -0.934 38.6-128.1-129.4 148.6 26.8 22.5 52.4 54 79 A S S S+ 0 0 75 184,-0.5 185,-0.2 -2,-0.3 2,-0.2 0.844 100.0 30.4 -60.1 -38.2 23.7 20.3 51.7 55 80 A Y S S- 0 0 92 183,-2.1 -2,-0.2 185,-0.1 180,-0.1 -0.441 107.0 -83.3-112.1-170.5 25.7 17.2 52.5 56 81 A L - 0 0 97 178,-1.5 179,-0.2 -2,-0.2 182,-0.2 0.781 42.2-159.1 -76.2 -28.4 28.6 16.6 55.0 57 82 A G > + 0 0 8 180,-2.7 3,-0.5 177,-0.8 4,-0.2 0.877 25.8 162.2 56.5 46.9 31.6 17.8 52.7 58 83 A E T 3> + 0 0 49 177,-2.7 4,-3.6 179,-0.2 5,-0.3 0.118 28.2 121.8 -89.8 22.8 34.2 15.9 54.7 59 84 A G H 3> S+ 0 0 0 -24,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.902 80.6 43.7 -47.6 -48.7 36.9 16.0 51.9 60 85 A L H <> S+ 0 0 2 -3,-0.5 4,-2.1 -25,-0.5 -1,-0.2 0.927 114.8 48.5 -66.8 -44.5 39.3 17.8 54.2 61 86 A Q H > S+ 0 0 31 1,-0.2 4,-1.8 -4,-0.2 -2,-0.2 0.925 113.8 47.2 -58.9 -46.6 38.5 15.6 57.2 62 87 A K H X S+ 0 0 32 -4,-3.6 4,-2.3 2,-0.2 -1,-0.2 0.841 107.5 58.2 -64.2 -35.5 39.0 12.5 55.0 63 88 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.960 108.6 43.1 -59.8 -52.6 42.2 13.9 53.6 64 89 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 6,-0.3 0.850 111.7 56.5 -63.9 -33.0 43.8 14.2 57.0 65 90 A M H X>S+ 0 0 38 -4,-1.8 5,-1.4 -5,-0.2 4,-0.6 0.919 113.2 40.1 -60.0 -46.1 42.4 10.7 58.0 66 91 A E H ><5S+ 0 0 82 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.961 119.8 41.2 -67.2 -55.2 44.2 9.1 54.9 67 92 A V H 3<5S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.715 127.7 31.5 -73.9 -22.6 47.5 11.0 55.0 68 93 A K H 3<5S- 0 0 94 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.317 103.5-121.4-115.0 5.2 48.0 10.8 58.8 69 94 A N T <<5 + 0 0 153 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.943 59.6 154.5 49.4 56.7 46.2 7.5 59.5 70 95 A L < - 0 0 47 -5,-1.4 -1,-0.2 -6,-0.3 2,-0.1 -0.812 45.8-120.7-112.3 150.2 43.7 9.2 61.8 71 96 A D > - 0 0 105 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.379 42.7 -97.7 -76.9 169.9 40.1 8.4 62.9 72 97 A A H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.838 121.6 52.9 -61.7 -37.7 37.4 10.9 62.2 73 98 A T H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 110.9 46.0 -66.6 -41.5 37.5 12.5 65.7 74 99 A A H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.881 112.3 50.9 -70.1 -38.8 41.3 13.1 65.6 75 100 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 111.0 48.9 -62.9 -44.7 41.1 14.5 62.1 76 101 A Q H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.892 108.6 53.7 -59.9 -41.5 38.3 16.9 63.2 77 102 A A H X S+ 0 0 59 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.875 108.9 49.5 -61.6 -39.7 40.4 18.0 66.3 78 103 A L H X S+ 0 0 44 -4,-1.9 4,-1.8 2,-0.2 3,-0.3 0.938 110.6 48.8 -64.0 -48.6 43.3 18.8 64.0 79 104 A I H X S+ 0 0 15 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 108.7 54.0 -59.4 -41.1 41.1 20.9 61.6 80 105 A K H X S+ 0 0 108 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.840 106.1 53.2 -62.5 -32.3 39.7 22.7 64.6 81 106 A D H X S+ 0 0 92 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.891 107.7 49.9 -69.5 -39.0 43.2 23.6 65.8 82 107 A L H X>S+ 0 0 7 -4,-1.8 5,-2.0 1,-0.2 4,-0.8 0.874 113.1 47.9 -64.8 -37.8 44.0 25.1 62.3 83 108 A E H <5S+ 0 0 26 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.885 109.2 52.6 -68.1 -41.0 40.7 27.1 62.6 84 109 A S H <5S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 114.2 41.4 -65.3 -39.7 41.5 28.3 66.1 85 110 A Q H <5S- 0 0 138 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.671 108.7-133.7 -78.1 -16.3 45.0 29.6 65.1 86 111 A N T <5 - 0 0 60 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.939 28.5-166.3 61.3 53.3 43.3 30.9 61.9 87 112 A L < - 0 0 18 -5,-2.0 -43,-2.6 -44,-0.1 -42,-0.2 -0.291 24.4-106.0 -61.2 149.8 45.8 29.7 59.4 88 113 A S B > -F 43 0D 35 -45,-0.2 4,-1.7 1,-0.1 -45,-0.3 -0.426 26.3-115.1 -69.7 157.2 45.6 31.1 55.9 89 114 A I H > S+ 0 0 1 -47,-2.2 4,-2.7 1,-0.2 5,-0.2 0.886 118.8 57.3 -61.5 -36.0 44.3 28.8 53.2 90 115 A Q H > S+ 0 0 55 -48,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.909 104.4 51.5 -61.0 -41.2 47.7 28.9 51.6 91 116 A Q H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 109.9 49.4 -61.7 -37.9 49.2 27.6 54.8 92 117 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.927 110.2 49.8 -70.0 -42.9 46.7 24.7 54.9 93 118 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.906 109.8 52.2 -57.2 -42.1 47.5 23.8 51.2 94 119 A G H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 109.3 49.7 -61.4 -41.1 51.2 23.9 52.1 95 120 A M H X S+ 0 0 36 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.879 110.9 49.2 -62.7 -43.0 50.5 21.5 55.0 96 121 A L H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.941 108.3 54.3 -62.7 -45.5 48.5 19.2 52.7 97 122 A Q H X S+ 0 0 33 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.912 110.6 45.3 -55.3 -45.6 51.4 19.2 50.1 98 123 A E H < S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.6 52.2 -68.3 -34.9 53.9 18.1 52.7 99 124 A N H < S+ 0 0 50 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.729 117.9 36.8 -76.4 -19.6 51.7 15.4 54.1 100 125 A I H >< S+ 0 0 2 -4,-1.7 3,-2.0 -3,-0.3 -1,-0.2 0.589 95.4 165.1-102.2 -15.2 51.0 13.9 50.6 101 126 A A T 3< + 0 0 64 -4,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.117 59.8 26.3 -46.9 138.4 54.5 14.4 49.2 102 127 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 -0.978 110.1 86.9 -86.7 5.7 55.9 13.2 46.8 103 128 A R S < S- 0 0 90 -3,-2.0 2,-0.4 -73,-0.1 -73,-0.3 -0.267 76.8-124.4 -62.1 150.4 52.3 12.9 45.4 104 129 A L E -e 30 0C 75 -75,-2.6 -73,-2.4 -3,-0.1 2,-0.2 -0.858 23.3-119.3 -98.1 133.4 50.7 15.8 43.5 105 130 A L E -e 31 0C 4 -2,-0.4 -98,-2.4 -75,-0.2 2,-0.6 -0.503 16.8-155.9 -72.0 132.5 47.3 17.1 44.7 106 131 A V E -b 7 0B 1 -75,-2.7 2,-0.7 -2,-0.2 -98,-0.2 -0.975 11.6-164.6-105.9 117.0 44.4 17.0 42.3 107 132 A D E +b 8 0B 2 -100,-3.3 -98,-2.1 -2,-0.6 2,-0.4 -0.905 12.2 176.5-111.7 107.1 41.9 19.7 43.4 108 133 A K E +b 9 0B 4 -2,-0.7 -72,-0.2 -75,-0.4 -98,-0.1 -0.938 14.0 140.5-116.1 130.2 38.4 19.3 41.8 109 134 A S > - 0 0 2 -100,-1.2 3,-1.1 -2,-0.4 4,-0.4 -0.806 38.1-150.2-160.4 129.1 35.3 21.3 42.4 110 135 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.752 95.9 70.1 -66.6 -18.9 32.6 22.4 39.8 111 136 A T G > S+ 0 0 46 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.740 81.1 72.8 -71.9 -21.5 32.0 25.5 42.0 112 137 A Y G X S+ 0 0 1 -3,-1.1 3,-1.3 1,-0.3 7,-0.5 0.889 92.7 55.8 -58.3 -39.6 35.4 27.1 41.1 113 138 A A G < S+ 0 0 1 -3,-0.7 -1,-0.3 -102,-0.4 62,-0.2 0.598 92.5 71.7 -72.2 -11.5 34.1 27.9 37.6 114 139 A M G < S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.670 101.5 43.7 -77.6 -17.3 31.1 29.8 38.9 115 140 A E X> - 0 0 97 -3,-1.3 4,-1.5 -4,-0.4 3,-1.5 -0.931 64.5-156.7-135.1 110.7 33.4 32.7 40.1 116 141 A P H 3> S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.826 97.0 60.4 -52.4 -33.2 36.2 34.2 38.0 117 142 A T H 3> S+ 0 0 80 2,-0.2 4,-1.2 1,-0.2 -5,-0.0 0.786 101.9 52.3 -67.8 -26.4 37.8 35.5 41.3 118 143 A I H <> S+ 0 0 19 -3,-1.5 4,-1.1 -6,-0.3 -1,-0.2 0.922 108.3 49.9 -73.1 -44.5 38.1 31.9 42.6 119 144 A L H >X S+ 0 0 5 -4,-1.5 4,-0.9 -7,-0.5 3,-0.6 0.916 110.4 51.8 -55.6 -43.3 39.9 30.7 39.4 120 145 A E H 3X S+ 0 0 117 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.828 99.8 63.1 -64.2 -32.9 42.3 33.7 39.8 121 146 A R H 3X S+ 0 0 55 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.842 95.4 60.5 -63.1 -32.7 43.0 32.7 43.4 122 147 A G H - 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0 0 56 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.413 42.9-141.5 -59.7 122.9 12.7 28.4 35.2 161 186 A P H > S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.854 100.0 51.3 -59.8 -37.2 14.8 25.4 36.2 162 187 A Y H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.889 112.5 45.3 -67.0 -40.0 15.9 24.6 32.7 163 188 A R H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 112.1 52.1 -71.3 -36.2 17.0 28.2 32.1 164 189 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 111.6 47.0 -61.8 -47.1 18.8 28.2 35.5 165 190 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 111.9 50.8 -59.9 -43.1 20.6 25.0 34.6 166 191 A E H X S+ 0 0 5 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.910 108.8 51.1 -62.2 -44.0 21.5 26.4 31.2 167 192 A Q H X S+ 0 0 93 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.881 108.5 52.3 -62.8 -38.9 22.9 29.6 32.8 168 193 A V H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.948 113.4 43.4 -62.7 -45.8 25.1 27.4 35.1 169 194 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.930 118.1 45.3 -63.6 -45.0 26.5 25.5 32.2 170 195 A A H X S+ 0 0 14 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.928 116.3 43.7 -66.7 -47.1 27.0 28.6 30.1 171 196 A K H X S+ 0 0 75 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.920 114.3 49.4 -66.8 -45.6 28.5 30.8 32.8 172 197 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.940 115.9 43.2 -58.1 -49.4 30.8 28.0 34.2 173 198 A N H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.922 114.2 48.8 -67.3 -43.2 32.1 27.2 30.7 174 199 A Q H X S+ 0 0 60 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.914 111.2 51.5 -61.6 -41.1 32.5 30.8 29.6 175 200 A N H X S+ 0 0 19 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 112.2 46.1 -61.4 -43.2 34.4 31.6 32.9 176 201 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.940 112.4 50.2 -64.7 -47.0 36.8 28.6 32.3 177 202 A L H X S+ 0 0 25 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.923 113.0 46.9 -55.8 -47.0 37.3 29.6 28.6 178 203 A N H < S+ 0 0 85 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.910 115.0 46.2 -60.9 -45.6 38.1 33.2 29.6 179 204 A F H >< S+ 0 0 21 -4,-2.4 3,-1.2 1,-0.2 4,-0.2 0.943 114.4 45.8 -63.5 -49.3 40.5 32.1 32.4 180 205 A L H >< S+ 0 0 5 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.761 97.6 72.1 -70.3 -24.0 42.3 29.5 30.3 181 206 A S T 3< S+ 0 0 93 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.757 98.5 50.8 -61.9 -22.9 42.7 31.9 27.4 182 207 A Q T < S+ 0 0 166 -3,-1.2 -1,-0.3 -4,-0.5 2,-0.2 0.497 99.9 80.8 -90.9 -8.2 45.2 33.8 29.5 183 208 A L S < S- 0 0 24 -3,-1.6 5,-0.1 -4,-0.2 -3,-0.0 -0.670 93.0 -85.4-104.2 157.4 47.4 30.8 30.4 184 209 A E > - 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0 0 19 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.814 40.5-134.9 -93.1 135.4 29.1 20.2 20.4 281 306 A E - 0 0 145 -2,-0.4 -5,-0.0 -5,-0.0 0, 0.0 -0.662 9.4-148.0 -86.0 141.6 26.3 19.4 18.0 282 307 A L 0 0 53 -2,-0.3 -23,-0.1 -144,-0.0 -2,-0.0 -0.840 360.0 360.0-115.4 94.4 22.8 20.6 18.9 283 308 A P 0 0 101 0, 0.0 -23,-0.0 0, 0.0 -24,-0.0 -0.117 360.0 360.0 -71.5 360.0 20.1 18.3 17.5