==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 28-DEC-04 1YE8 . COMPND 2 MOLECULE: HYPOTHETICAL UPF0334 KINASE-LIKE PROTEIN AQ_1292; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.ROSSBACH,O.DAUMKE,C.KLINGER,A.WITTINGHOFER,M.KAUFMANN . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A X 0 0 76 0, 0.0 127,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.3 29.5 23.6 13.8 2 2 A K E -a 128 0A 19 147,-0.3 149,-3.1 125,-0.2 2,-0.6 -0.978 360.0-166.6-116.4 117.6 31.1 22.4 17.1 3 3 A I E -ab 129 151A 1 125,-3.2 127,-2.8 -2,-0.5 2,-0.6 -0.942 4.6-169.1-104.7 118.2 33.5 24.9 18.8 4 4 A I E -ab 130 152A 1 147,-3.4 149,-3.0 -2,-0.6 2,-0.5 -0.944 2.4-164.9-112.1 117.7 35.5 23.2 21.6 5 5 A I E +ab 131 153A 0 125,-3.0 127,-2.1 -2,-0.6 2,-0.3 -0.881 15.7 165.8-106.4 124.9 37.5 25.6 23.7 6 6 A T E + b 0 154A 4 147,-2.9 149,-3.1 -2,-0.5 2,-0.2 -0.781 8.7 121.6-129.2 172.1 40.2 24.3 26.0 7 7 A G - 0 0 1 125,-0.5 127,-0.6 -2,-0.3 128,-0.2 -0.831 58.3 -40.6 152.1 174.6 43.1 25.7 28.0 8 8 A E > - 0 0 108 147,-0.5 3,-2.0 -2,-0.2 5,-0.3 -0.192 69.8 -88.4 -65.0 151.7 44.7 26.0 31.4 9 9 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.397 116.4 19.1 -54.0 132.8 42.6 26.7 34.5 10 10 A G T 3 S+ 0 0 74 -3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.317 87.1 116.4 88.6 -5.6 42.2 30.5 34.8 11 11 A V S < S- 0 0 13 -3,-2.0 -3,-0.1 144,-0.1 149,-0.1 0.719 92.5 -94.0 -70.9 -23.0 43.1 31.4 31.2 12 12 A G S > S+ 0 0 21 -4,-0.3 4,-2.4 -5,-0.1 5,-0.2 0.682 73.4 142.7 118.7 26.9 39.7 32.8 30.5 13 13 A K H > S+ 0 0 16 -5,-0.3 4,-2.6 2,-0.2 5,-0.1 0.938 81.4 44.0 -62.4 -48.6 37.5 30.1 29.0 14 14 A T H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.916 112.2 54.1 -60.1 -44.0 34.3 31.2 30.8 15 15 A T H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.912 110.5 45.9 -57.3 -45.8 35.1 34.9 30.0 16 16 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.929 110.7 52.7 -63.5 -46.3 35.4 34.0 26.3 17 17 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.917 108.0 52.0 -55.3 -42.6 32.2 32.0 26.4 18 18 A K H X S+ 0 0 83 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.893 108.5 50.5 -62.1 -39.1 30.3 35.0 28.0 19 19 A K H X S+ 0 0 77 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.898 110.8 49.6 -63.6 -40.8 31.6 37.2 25.1 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.1 50.6 -63.1 -45.4 30.3 34.7 22.6 21 21 A V H X S+ 0 0 20 -4,-2.7 4,-1.6 1,-0.2 7,-0.3 0.917 110.3 49.3 -58.3 -45.9 26.9 34.6 24.3 22 22 A E H < S+ 0 0 167 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.927 113.1 47.0 -63.5 -43.6 26.6 38.4 24.3 23 23 A R H < S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 112.4 49.6 -63.3 -39.6 27.5 38.5 20.6 24 24 A L H >< S- 0 0 11 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.707 85.0-179.7 -74.4 -21.2 25.1 35.7 19.7 25 25 A G G >< + 0 0 44 -4,-1.6 3,-1.7 -3,-0.3 -1,-0.2 -0.313 69.1 1.6 59.5-130.7 22.2 37.3 21.6 26 26 A K G 3 S+ 0 0 191 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.575 123.3 73.6 -70.9 -7.8 19.0 35.2 21.3 27 27 A R G < S+ 0 0 32 -3,-2.0 70,-3.0 -6,-0.1 2,-0.5 0.771 82.2 82.1 -72.2 -25.9 20.9 32.6 19.3 28 28 A A E < +c 97 0A 7 -3,-1.7 2,-0.4 -7,-0.3 70,-0.2 -0.712 53.1 169.4 -91.3 126.1 22.7 31.3 22.4 29 29 A I E +c 98 0A 2 68,-2.4 70,-2.3 -2,-0.5 2,-0.3 -0.990 39.0 51.8-135.5 127.1 21.0 28.9 24.7 30 30 A G E S-c 99 0A 0 -2,-0.4 17,-2.4 68,-0.2 2,-0.3 -0.981 72.7 -74.3 155.1-139.6 22.7 27.0 27.6 31 31 A F E -cD 100 46A 0 68,-2.2 70,-2.0 -2,-0.3 2,-0.3 -0.990 19.4-155.2-154.4 161.4 24.9 27.8 30.6 32 32 A W E - D 0 45A 29 13,-2.6 13,-2.7 -2,-0.3 2,-0.5 -0.806 22.5-122.2-131.8 174.8 28.3 28.7 31.8 33 33 A T E - D 0 44A 11 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.978 23.9-168.2-127.7 118.9 30.1 28.2 35.1 34 34 A E E - D 0 43A 55 9,-2.8 9,-3.0 -2,-0.5 2,-0.1 -0.830 25.6-110.8-109.1 145.9 31.5 31.1 37.2 35 35 A E E - D 0 42A 76 -2,-0.4 2,-0.6 7,-0.2 7,-0.3 -0.439 25.0-133.0 -66.5 142.5 33.8 31.1 40.2 36 36 A V E D 0 41A 16 5,-3.2 4,-2.5 -2,-0.1 5,-1.1 -0.917 360.0 360.0 -96.8 119.3 32.3 32.0 43.5 37 37 A R 0 0 204 -2,-0.6 5,-0.0 2,-0.2 -2,-0.0 -0.978 360.0 360.0-130.6 360.0 34.6 34.5 45.2 38 ! 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 39 44 A R 0 0 119 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 127.8 37.5 31.2 45.5 40 45 A T - 0 0 50 -4,-2.5 17,-2.9 1,-0.2 18,-0.4 0.421 360.0 -27.4-123.8 -8.2 35.2 29.0 47.5 41 46 A G E -DE 36 56A 0 -5,-1.1 -5,-3.2 15,-0.3 2,-0.3 -0.975 60.0 -88.0-179.6-166.5 33.0 27.4 44.8 42 47 A F E -DE 35 55A 23 13,-2.6 12,-1.9 -2,-0.3 13,-1.4 -0.996 22.6-157.1-139.7 140.8 31.3 27.4 41.4 43 48 A R E -DE 34 53A 77 -9,-3.0 -9,-2.8 -2,-0.3 2,-0.4 -0.948 13.6-138.5-121.1 129.4 28.0 28.7 40.2 44 49 A I E -DE 33 52A 0 8,-2.6 8,-1.8 -2,-0.4 2,-0.4 -0.738 22.4-171.5 -82.5 134.5 26.0 27.6 37.1 45 50 A I E -DE 32 51A 5 -13,-2.7 -13,-2.6 -2,-0.4 6,-0.2 -0.996 8.1-151.3-128.1 122.6 24.5 30.6 35.3 46 51 A T E > -D 31 0A 5 4,-2.6 3,-2.0 -2,-0.4 -15,-0.3 -0.467 32.1-106.1 -88.1 168.0 22.1 30.0 32.4 47 52 A T T 3 S+ 0 0 30 -17,-2.4 -16,-0.1 1,-0.3 -1,-0.1 0.551 122.6 58.6 -66.9 -5.9 21.4 32.1 29.4 48 53 A E T 3 S- 0 0 112 -18,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.299 121.6-107.1-101.6 6.6 18.1 33.0 31.2 49 54 A G < + 0 0 42 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.565 69.1 147.2 82.0 9.8 19.9 34.3 34.2 50 55 A K - 0 0 138 28,-0.1 -4,-2.6 2,-0.0 2,-0.3 -0.622 26.8-170.6 -77.9 138.2 19.1 31.5 36.5 51 56 A K E +E 45 0A 118 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.979 16.2 163.9-135.2 142.7 22.0 30.9 39.0 52 57 A K E -E 44 0A 64 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.6 -0.908 35.9-125.0-158.4 133.3 22.9 28.3 41.6 53 58 A I E +E 43 0A 52 -2,-0.3 -10,-0.3 -10,-0.3 3,-0.1 -0.664 35.2 166.1 -72.2 120.0 26.0 27.3 43.5 54 59 A F E + 0 0 0 -12,-1.9 17,-3.1 -2,-0.6 2,-0.4 0.489 62.1 40.3-114.6 -7.5 26.5 23.6 42.8 55 60 A S E +EF 42 70A 0 -13,-1.4 -13,-2.6 15,-0.2 2,-0.3 -0.989 69.0 154.9-143.2 132.4 30.1 23.1 44.0 56 61 A S E > -EF 41 69A 6 13,-2.2 13,-2.7 -2,-0.4 3,-1.1 -0.993 53.4-124.2-157.4 147.1 31.6 24.5 47.2 57 62 A K T 3 S+ 0 0 106 -17,-2.9 -16,-0.1 -2,-0.3 -1,-0.1 0.710 116.7 55.6 -58.6 -22.2 34.3 24.1 49.8 58 63 A F T 3 S+ 0 0 174 -18,-0.4 2,-0.5 11,-0.1 -1,-0.2 0.615 87.2 99.7 -85.6 -14.0 31.3 24.3 52.3 59 64 A F < - 0 0 56 -3,-1.1 2,-0.5 10,-0.2 -3,-0.1 -0.627 65.8-142.7 -83.8 125.6 29.4 21.4 50.6 60 65 A T + 0 0 150 -2,-0.5 2,-0.3 9,-0.1 -2,-0.1 -0.714 41.4 149.6 -77.2 126.7 29.5 18.0 52.2 61 66 A S - 0 0 35 -2,-0.5 10,-0.1 1,-0.1 -2,-0.0 -0.994 58.8-138.6-156.5 152.8 29.6 15.4 49.3 62 67 A K S S+ 0 0 186 -2,-0.3 2,-0.8 8,-0.2 -1,-0.1 0.621 98.0 76.5 -78.5 -18.0 30.7 12.0 48.2 63 68 A K S S+ 0 0 80 7,-0.4 7,-3.0 -3,-0.1 2,-0.4 -0.854 71.6 171.8 -99.5 106.0 31.5 13.8 44.8 64 69 A L E -G 69 0A 97 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.936 33.3-174.3-122.8 138.9 34.7 15.7 45.4 65 70 A V E > S-G 68 0A 47 3,-2.2 3,-2.2 -2,-0.4 2,-0.3 -0.920 78.1 -58.1-124.1 104.4 37.2 17.6 43.3 66 71 A G T 3 S- 0 0 74 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.450 121.3 -16.9 55.4-121.6 39.9 18.5 45.8 67 72 A S T 3 S+ 0 0 68 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.447 115.4 103.5 -90.2 -1.6 38.2 20.5 48.6 68 73 A Y E < - G 0 65A 22 -3,-2.2 -3,-2.2 -10,-0.1 2,-0.4 -0.748 59.9-151.2 -88.4 121.6 35.1 21.2 46.5 69 74 A G E -FG 56 64A 0 -13,-2.7 -13,-2.2 -2,-0.6 2,-0.5 -0.781 14.5-145.2 -87.6 129.0 32.0 19.2 47.3 70 75 A V E -F 55 0A 2 -7,-3.0 2,-0.9 -2,-0.4 -7,-0.4 -0.862 7.5-156.3-102.4 125.4 29.7 18.8 44.3 71 76 A N > - 0 0 39 -17,-3.1 4,-2.1 -2,-0.5 5,-0.2 -0.865 7.9-171.1 -99.1 100.2 26.0 18.7 44.6 72 77 A V H > S+ 0 0 18 -2,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.860 83.9 54.2 -60.0 -39.2 24.9 16.9 41.5 73 78 A Q H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 107.4 49.7 -65.1 -42.0 21.2 17.7 42.1 74 79 A Y H > S+ 0 0 99 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.904 113.3 47.2 -63.6 -40.8 21.8 21.4 42.3 75 80 A F H >X S+ 0 0 2 -4,-2.1 4,-2.9 -21,-0.2 3,-1.0 0.953 113.4 47.4 -62.5 -50.2 23.8 21.3 39.1 76 81 A E H 3X S+ 0 0 29 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.831 97.6 71.1 -63.1 -34.0 21.1 19.2 37.3 77 82 A E H 3< S+ 0 0 115 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.841 118.5 18.6 -52.0 -38.7 18.3 21.5 38.5 78 83 A L H S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.909 115.2 49.3 -63.8 -38.1 16.3 21.7 31.5 82 87 A I H X S+ 0 0 15 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.902 114.0 45.5 -69.2 -34.9 18.2 24.4 29.8 83 88 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.877 111.0 52.3 -73.2 -35.5 20.2 21.9 27.7 84 89 A E H X S+ 0 0 75 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.925 113.9 44.5 -63.7 -42.3 17.1 19.9 26.8 85 90 A R H X S+ 0 0 74 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.943 112.2 51.9 -62.0 -48.4 15.5 23.2 25.6 86 91 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.913 111.1 47.9 -56.2 -43.2 18.7 24.2 23.8 87 92 A Y H X S+ 0 0 15 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.926 112.1 48.2 -67.3 -45.5 18.8 20.8 22.0 88 93 A R H X S+ 0 0 149 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.936 117.3 42.3 -58.6 -46.8 15.2 20.9 20.9 89 94 A E H X S+ 0 0 58 -4,-2.8 4,-2.1 1,-0.2 3,-0.4 0.908 112.7 52.3 -69.2 -40.5 15.5 24.5 19.7 90 95 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.768 103.5 57.7 -69.6 -27.5 18.8 24.0 17.9 91 96 A K H < S+ 0 0 96 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.850 115.7 36.5 -69.2 -32.3 17.6 21.0 16.0 92 97 A K H < S+ 0 0 186 -4,-1.0 2,-0.5 -3,-0.4 -2,-0.2 0.776 122.8 41.7 -90.1 -29.0 14.8 23.0 14.4 93 98 A D >< - 0 0 68 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.2 -0.926 62.2-165.2-127.3 104.3 16.7 26.4 14.0 94 99 A R T 3 S+ 0 0 185 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.556 85.7 71.4 -69.6 -6.4 20.3 26.1 12.8 95 100 A R T 3 S+ 0 0 92 76,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.732 81.6 94.3 -74.8 -23.6 20.9 29.7 13.9 96 101 A K < - 0 0 34 -3,-1.9 31,-0.7 -7,-0.2 2,-0.4 -0.415 61.4-158.4 -74.1 147.6 20.8 28.6 17.5 97 102 A V E -ch 28 127A 1 -70,-3.0 -68,-2.4 -2,-0.1 2,-0.3 -0.994 12.1-136.8-129.8 121.7 24.0 27.7 19.3 98 103 A I E -ch 29 128A 1 29,-2.8 31,-2.9 -2,-0.4 2,-0.5 -0.638 18.7-150.7 -78.3 135.4 24.0 25.4 22.4 99 104 A I E +ch 30 129A 0 -70,-2.3 -68,-2.2 -2,-0.3 2,-0.4 -0.934 20.2 170.9-115.2 122.7 26.3 26.8 25.1 100 105 A I E -ch 31 130A 0 29,-2.6 31,-2.0 -2,-0.5 2,-0.5 -0.805 10.1-169.2-136.7 94.7 28.1 24.3 27.6 101 106 A D + 0 0 0 -70,-2.0 31,-0.1 -2,-0.4 29,-0.0 -0.955 68.2 16.7-123.2 110.5 30.7 25.7 29.9 102 107 A E + 0 0 40 -2,-0.5 2,-1.7 29,-0.3 -1,-0.3 0.538 43.4 179.9-130.3 148.1 32.2 23.4 31.3 103 108 A I + 0 0 0 28,-2.8 2,-0.2 -3,-0.4 41,-0.1 -0.650 58.2 135.6 -83.4 79.2 32.3 19.8 30.3 104 109 A G S > S- 0 0 3 -2,-1.7 4,-2.4 28,-0.2 3,-0.1 -0.651 73.0 -85.3-127.8 176.8 34.6 19.2 33.3 105 110 A K T 4 S+ 0 0 78 1,-0.2 4,-0.5 -2,-0.2 -1,-0.0 0.865 122.4 50.1 -54.6 -43.2 35.1 16.9 36.2 106 111 A X T >4 S+ 0 0 22 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.930 115.6 42.2 -65.0 -40.9 32.6 18.6 38.5 107 112 A E G >4 S+ 0 0 5 1,-0.2 3,-1.9 -5,-0.2 -1,-0.2 0.840 103.4 67.5 -72.7 -33.5 29.8 18.6 36.0 108 113 A L G 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.537 76.8 81.9 -74.3 -5.1 30.6 15.0 34.8 109 114 A F G < S+ 0 0 50 -3,-0.8 2,-0.7 -4,-0.5 -1,-0.3 0.714 77.7 87.3 -65.0 -17.9 29.5 13.5 38.1 110 115 A S <> - 0 0 1 -3,-1.9 4,-2.5 1,-0.2 5,-0.1 -0.751 62.8-165.0 -88.8 116.7 26.0 13.9 36.6 111 116 A K H > S+ 0 0 122 -2,-0.7 4,-2.7 2,-0.2 5,-0.3 0.905 93.1 55.2 -62.4 -42.9 24.9 10.8 34.6 112 117 A K H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.7 47.1 -57.6 -42.0 22.1 12.8 33.1 113 118 A F H > S+ 0 0 0 -6,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 110.9 51.1 -65.7 -47.0 24.6 15.5 32.0 114 119 A R H X S+ 0 0 65 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.936 113.0 45.4 -54.6 -47.1 27.0 12.9 30.5 115 120 A D H X S+ 0 0 73 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.907 115.1 46.0 -66.8 -43.6 24.3 11.2 28.5 116 121 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.911 111.6 52.2 -68.3 -40.4 22.8 14.5 27.2 117 122 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.928 109.5 50.0 -57.8 -45.7 26.3 15.9 26.3 118 123 A R H X S+ 0 0 82 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.917 111.3 48.9 -60.0 -42.8 27.0 12.7 24.3 119 124 A Q H < S+ 0 0 107 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.945 117.0 41.5 -61.5 -47.8 23.7 13.0 22.5 120 125 A I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 6,-0.2 0.941 113.2 50.4 -67.2 -47.5 24.3 16.7 21.6 121 126 A X H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 113.5 44.9 -67.5 -27.4 28.0 16.5 20.8 122 127 A H T 3< S+ 0 0 92 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.392 87.9 101.4 -97.6 2.7 27.6 13.6 18.3 123 128 A D X - 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0 0 21 0, 0.0 -125,-0.1 0, 0.0 4,-0.0 -0.220 31.8-117.6 -66.2 161.5 39.8 21.1 30.6 134 139 A I S S+ 0 0 39 -127,-0.6 2,-0.3 -128,-0.1 -126,-0.1 0.710 97.3 62.5 -77.1 -19.6 43.3 20.8 29.1 135 140 A R S S- 0 0 175 -128,-0.2 2,-2.0 1,-0.0 3,-0.1 -0.769 94.2-112.3-103.9 152.3 43.9 17.4 30.7 136 141 A D + 0 0 74 -2,-0.3 -2,-0.1 1,-0.2 6,-0.0 -0.510 50.5 159.7 -82.2 75.4 41.8 14.3 30.1 137 142 A V + 0 0 37 -2,-2.0 -1,-0.2 1,-0.1 -33,-0.0 0.531 67.4 17.5 -79.0 -8.3 40.3 14.2 33.6 138 143 A H S >> S- 0 0 40 -3,-0.1 4,-1.5 1,-0.0 3,-0.8 -0.962 83.0-111.3-158.0 145.8 37.4 12.0 32.5 139 144 A P H 3> S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.821 116.6 57.6 -56.1 -30.9 36.8 9.7 29.5 140 145 A L H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.854 102.2 55.3 -69.1 -30.7 34.1 12.0 28.1 141 146 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.938 109.8 46.3 -61.7 -45.5 36.6 14.9 28.1 142 147 A K H X S+ 0 0 97 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.919 110.9 53.3 -61.0 -43.6 38.9 12.8 25.9 143 148 A E H < S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 112.5 43.5 -57.6 -44.9 36.0 11.8 23.7 144 149 A I H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.887 107.5 59.1 -72.0 -38.2 35.1 15.5 23.1 145 150 A R H 3< S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.885 113.1 40.1 -57.5 -36.7 38.7 16.6 22.6 146 151 A R T 3< S+ 0 0 178 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.242 81.3 145.6 -97.7 15.0 38.9 14.1 19.7 147 152 A L X - 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