==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 10-MAR-07 2UVJ . COMPND 2 MOLECULE: ABC TYPE PERIPLASMIC SUGAR-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 404 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 1 0.2 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 . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 3 2 0 2 0 1 0 2 1 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 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 . 2 1 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 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 27 A E 0 0 175 0, 0.0 2,-0.5 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 124.2 27.0 -9.5 27.1 2 28 A V E -a 32 0A 14 29,-2.9 31,-2.6 293,-0.0 2,-0.6 -0.988 360.0-160.1-122.2 120.9 23.9 -8.2 29.0 3 29 A N E -a 33 0A 64 -2,-0.5 2,-0.3 29,-0.2 31,-0.2 -0.916 13.9-178.1-105.4 120.4 22.3 -5.0 28.0 4 30 A L E -a 34 0A 0 29,-3.3 31,-3.0 -2,-0.6 2,-0.4 -0.820 16.3-149.7-111.2 152.0 20.1 -3.3 30.6 5 31 A R E -a 35 0A 70 -2,-0.3 55,-2.1 29,-0.2 54,-1.1 -0.979 14.2-172.6-117.6 135.6 18.1 -0.1 30.5 6 32 A M E -ab 36 60A 1 29,-2.7 31,-3.1 -2,-0.4 2,-0.3 -0.996 1.2-168.6-127.9 130.8 17.5 2.0 33.7 7 33 A S E +ab 37 61A 4 53,-2.0 55,-1.9 -2,-0.4 2,-0.3 -0.853 14.6 154.1-110.2 151.7 15.2 5.0 34.0 8 34 A W E -a 38 0A 0 29,-1.6 31,-1.4 -2,-0.3 2,-0.3 -0.960 27.1-136.6-157.3 168.5 14.9 7.6 36.8 9 35 A W E +a 39 0A 15 -2,-0.3 2,-0.3 29,-0.2 31,-0.2 -0.879 43.2 100.6-120.6 161.2 13.8 11.1 37.4 10 36 A G - 0 0 1 29,-1.5 2,-0.1 -2,-0.3 -2,-0.1 -0.913 65.2 -55.6 160.2-178.8 15.4 13.9 39.5 11 37 A G > - 0 0 13 -2,-0.3 4,-2.3 305,-0.2 3,-0.3 -0.277 60.3 -94.0 -75.1 176.3 17.4 17.1 39.4 12 38 A N H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.810 123.5 59.7 -69.4 -31.2 20.9 17.2 37.8 13 39 A G H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 109.5 44.8 -56.1 -46.1 22.7 16.6 41.0 14 40 A R H > S+ 0 0 3 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.914 111.5 52.9 -64.4 -42.4 20.8 13.3 41.2 15 41 A H H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 108.7 51.7 -53.7 -43.7 21.6 12.6 37.5 16 42 A Q H X S+ 0 0 114 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.953 112.3 42.3 -62.8 -51.7 25.3 13.2 38.1 17 43 A V H X S+ 0 0 20 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.878 114.9 51.1 -66.2 -37.1 25.7 10.8 41.1 18 44 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 110.0 48.8 -68.0 -42.2 23.5 8.1 39.4 19 45 A L H X S+ 0 0 61 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.880 110.9 50.6 -64.6 -38.1 25.5 8.3 36.2 20 46 A K H X S+ 0 0 75 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.887 109.0 52.0 -69.5 -34.9 28.8 8.0 38.1 21 47 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.908 106.2 54.9 -65.1 -41.8 27.4 5.0 40.0 22 48 A L H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.843 105.3 51.9 -60.8 -35.3 26.5 3.3 36.7 23 49 A E H X S+ 0 0 136 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.916 110.8 48.1 -69.7 -38.2 30.1 3.6 35.4 24 50 A E H X S+ 0 0 51 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 110.0 52.4 -62.8 -44.8 31.4 2.0 38.6 25 51 A F H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.917 112.1 45.1 -57.5 -45.3 28.9 -0.8 38.2 26 52 A H H < S+ 0 0 71 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.846 109.5 55.3 -68.3 -35.9 30.0 -1.4 34.7 27 53 A K H < S+ 0 0 177 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 111.7 45.1 -58.9 -40.4 33.7 -1.2 35.8 28 54 A Q H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.673 126.0 32.0 -76.3 -18.7 32.8 -4.0 38.3 29 55 A H >< + 0 0 47 -4,-1.0 3,-2.6 3,-0.2 -1,-0.2 -0.622 63.9 178.6-141.4 78.5 30.9 -5.9 35.6 30 56 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.747 82.4 60.7 -55.3 -24.5 32.4 -5.5 32.1 31 57 A N T 3 S+ 0 0 85 -30,-0.1 -29,-2.9 1,-0.1 2,-0.5 0.560 94.9 73.2 -82.1 -5.6 29.8 -7.8 30.7 32 58 A I E < -a 2 0A 2 -3,-2.6 2,-0.4 -6,-0.2 -29,-0.2 -0.930 59.8-172.5-115.4 119.3 26.8 -5.6 31.8 33 59 A N E -a 3 0A 48 -31,-2.6 -29,-3.3 -2,-0.5 2,-0.5 -0.860 7.2-157.6-105.3 139.6 26.0 -2.4 30.1 34 60 A V E -a 4 0A 30 -2,-0.4 2,-0.6 -31,-0.2 -29,-0.2 -0.975 4.3-155.2-119.4 120.6 23.4 0.0 31.4 35 61 A K E -a 5 0A 86 -31,-3.0 -29,-2.7 -2,-0.5 2,-0.4 -0.853 21.9-140.6 -87.7 123.5 21.7 2.5 29.1 36 62 A A E -a 6 0A 36 -2,-0.6 2,-0.5 -31,-0.2 -29,-0.2 -0.737 19.2-174.3 -91.9 130.9 20.5 5.4 31.3 37 63 A E E +a 7 0A 60 -31,-3.1 -29,-1.6 -2,-0.4 2,-0.4 -0.907 22.9 158.5-124.0 100.7 17.1 7.1 30.6 38 64 A Y E +a 8 0A 96 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.953 9.7 152.9-131.9 144.7 16.6 10.1 32.9 39 65 A T E -a 9 0A 42 -31,-1.4 -29,-1.5 -2,-0.4 4,-0.1 -0.866 46.6 -79.1-143.7-178.0 14.5 13.3 33.0 40 66 A G - 0 0 26 -2,-0.3 4,-0.1 -31,-0.2 -29,-0.1 -0.258 55.9 -93.3 -71.6 174.2 13.1 15.7 35.4 41 67 A W S >> S+ 0 0 86 2,-0.1 3,-2.1 -32,-0.1 4,-0.5 0.850 97.2 102.0 -56.0 -40.6 9.9 14.9 37.3 42 68 A D T 34 S- 0 0 100 1,-0.3 -2,-0.2 2,-0.1 183,-0.0 -0.295 102.0 -8.8 -59.2 123.3 7.7 16.6 34.6 43 69 A G T 3> S+ 0 0 26 -2,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.477 98.0 121.4 70.6 6.1 6.1 14.1 32.3 44 70 A H H <> S+ 0 0 10 -3,-2.1 4,-2.3 2,-0.2 5,-0.2 0.941 76.0 42.7 -68.6 -46.1 8.1 11.2 33.7 45 71 A L H X S+ 0 0 26 -4,-0.5 4,-3.1 2,-0.2 5,-0.2 0.917 112.2 55.8 -61.7 -44.9 5.1 9.1 34.8 46 72 A S H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.928 110.3 45.3 -53.4 -48.3 3.3 9.9 31.5 47 73 A R H X S+ 0 0 114 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.911 113.9 47.9 -64.7 -44.7 6.3 8.6 29.5 48 74 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.902 107.7 56.8 -62.3 -37.8 6.7 5.5 31.7 49 75 A T H X S+ 0 0 52 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.908 106.7 49.4 -59.8 -44.3 2.9 4.8 31.4 50 76 A T H X S+ 0 0 100 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.905 111.7 49.0 -59.4 -43.7 3.2 4.8 27.6 51 77 A Q H X>S+ 0 0 39 -4,-1.9 5,-3.0 2,-0.2 4,-0.6 0.937 112.7 46.0 -62.2 -47.7 6.2 2.3 27.8 52 78 A I H ><5S+ 0 0 38 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.918 108.3 56.9 -63.5 -42.5 4.3 -0.0 30.2 53 79 A A H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 115.9 37.5 -55.9 -34.7 1.2 0.1 28.0 54 80 A G H 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.367 113.9-114.9 -98.1 1.9 3.3 -1.1 25.1 55 81 A G T <<5S+ 0 0 56 -3,-1.2 -3,-0.2 -4,-0.6 -4,-0.1 0.790 84.9 112.4 70.7 30.0 5.5 -3.5 27.0 56 82 A T < + 0 0 79 -5,-3.0 -4,-0.2 -6,-0.2 -5,-0.1 0.105 35.9 137.6-121.0 27.7 8.7 -1.6 26.4 57 83 A E - 0 0 27 -6,-0.4 -52,-0.1 1,-0.1 232,-0.1 -0.259 59.5 -90.4 -72.4 155.9 9.6 -0.3 30.0 58 84 A P - 0 0 1 0, 0.0 -52,-0.2 0, 0.0 229,-0.2 -0.051 26.7-117.7 -60.8 166.8 13.2 -0.5 31.3 59 85 A D S S+ 0 0 23 -54,-1.1 228,-2.1 1,-0.2 2,-0.4 0.849 105.8 29.5 -71.1 -39.6 14.7 -3.4 33.2 60 86 A V E S-bC 6 286A 0 -55,-2.1 -53,-2.0 226,-0.2 2,-0.4 -0.992 77.0-179.2-124.2 129.3 15.3 -1.2 36.2 61 87 A M E -bC 7 285A 0 224,-2.7 224,-2.7 -2,-0.4 2,-0.5 -0.994 30.5-131.7-129.1 135.9 13.0 1.7 37.0 62 88 A Q E - C 0 284A 0 -55,-1.9 2,-0.3 -2,-0.4 222,-0.2 -0.747 44.3-169.6 -72.3 129.1 13.0 4.3 39.7 63 89 A T E - C 0 283A 0 220,-2.6 220,-2.8 -2,-0.5 2,-0.3 -0.887 21.5-126.0-127.7 159.3 9.3 4.2 40.8 64 90 A N > - 0 0 11 -2,-0.3 3,-1.6 218,-0.2 4,-0.4 -0.756 20.8-127.4-103.7 146.3 6.8 6.1 42.9 65 91 A W G > S+ 0 0 12 215,-0.4 3,-1.1 -2,-0.3 -1,-0.1 0.816 108.8 57.9 -63.4 -29.9 4.7 4.6 45.7 66 92 A N G 3 S+ 0 0 5 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.585 94.9 68.3 -77.9 -7.1 1.5 6.0 44.3 67 93 A W G <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 5,-0.5 0.635 76.4 84.4 -82.1 -16.9 2.2 4.2 41.0 68 94 A L H <> S+ 0 0 9 -3,-1.1 4,-2.3 -4,-0.4 7,-0.2 0.926 94.8 40.6 -53.3 -47.2 1.6 0.8 42.6 69 95 A P H 4 S+ 0 0 22 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.798 113.8 57.1 -67.9 -27.9 -2.2 0.9 42.2 70 96 A I H 4 S+ 0 0 66 -4,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.913 128.1 10.9 -69.2 -42.9 -1.7 2.4 38.7 71 97 A F H < S+ 0 0 34 -4,-2.5 -3,-0.2 1,-0.1 -1,-0.1 0.553 136.0 36.6-113.9 -13.5 0.5 -0.4 37.3 72 98 A S >< + 0 0 1 -4,-2.3 3,-1.6 -5,-0.5 -2,-0.1 -0.246 53.9 148.2-145.0 50.6 0.2 -3.2 39.9 73 99 A K T 3 S+ 0 0 106 -4,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.863 90.7 35.1 -56.0 -36.7 -3.2 -3.5 41.4 74 100 A D T 3 S- 0 0 84 -3,-0.1 -1,-0.3 29,-0.1 29,-0.1 0.245 118.0-110.7-100.9 10.7 -2.7 -7.2 41.8 75 101 A G S < S+ 0 0 0 -3,-1.6 3,-0.3 -7,-0.2 28,-0.2 0.411 97.3 97.8 79.0 2.0 1.0 -7.0 42.5 76 102 A T + 0 0 49 1,-0.2 -4,-0.1 4,-0.0 4,-0.1 0.341 51.6 93.8 -99.8 3.2 2.1 -8.5 39.2 77 103 A G S S+ 0 0 11 -9,-0.1 211,-0.6 2,-0.1 2,-0.3 0.674 92.1 33.4 -72.6 -19.9 2.8 -5.2 37.4 78 104 A F B S-E 287 0B 3 -3,-0.3 209,-0.2 209,-0.2 31,-0.1 -0.905 105.9 -81.1-127.9 162.2 6.5 -5.3 38.3 79 105 A Y - 0 0 61 207,-2.8 2,-0.7 -2,-0.3 207,-0.4 -0.342 48.8-109.7 -64.5 140.0 8.9 -8.2 38.8 80 106 A N > - 0 0 41 1,-0.2 3,-2.0 208,-0.1 4,-0.2 -0.625 24.4-157.9 -76.7 110.6 8.5 -9.9 42.2 81 107 A L G > S+ 0 0 0 26,-2.7 3,-1.2 -2,-0.7 7,-0.2 0.687 87.5 72.3 -70.0 -17.3 11.7 -9.0 44.1 82 108 A F G > S+ 0 0 84 1,-0.2 3,-0.8 25,-0.2 -1,-0.3 0.760 91.6 61.8 -62.4 -21.4 11.3 -12.0 46.4 83 109 A S G < S+ 0 0 80 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.616 106.4 43.2 -81.3 -12.0 12.3 -14.0 43.2 84 110 A V G X> S+ 0 0 2 -3,-1.2 3,-1.6 -4,-0.2 4,-1.5 0.025 70.8 124.7-120.0 28.9 15.7 -12.3 43.0 85 111 A K T <4 + 0 0 144 -3,-0.8 5,-0.3 1,-0.3 -1,-0.1 0.735 65.7 68.8 -66.1 -18.3 16.6 -12.5 46.7 86 112 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.826 111.7 30.5 -61.7 -35.3 19.9 -14.3 45.8 87 113 A Q T <4 S+ 0 0 43 -3,-1.6 2,-0.5 1,-0.1 -2,-0.2 0.650 117.4 61.8 -96.2 -20.4 21.2 -11.1 44.1 88 114 A L S < S- 0 0 2 -4,-1.5 2,-1.4 -7,-0.2 -1,-0.1 -0.948 74.9-139.4-123.1 119.2 19.4 -8.5 46.3 89 115 A D > + 0 0 66 -2,-0.5 3,-1.1 1,-0.2 4,-0.1 -0.599 26.9 172.7 -80.7 88.9 20.1 -8.3 50.1 90 116 A L G > + 0 0 23 -2,-1.4 3,-1.8 -5,-0.3 -1,-0.2 0.727 65.2 76.9 -72.1 -23.7 16.5 -7.7 51.3 91 117 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.658 80.7 71.4 -63.1 -15.3 17.5 -8.0 55.0 92 118 A Q G < S+ 0 0 45 -3,-1.1 231,-2.3 230,-0.1 2,-0.4 0.645 89.3 74.2 -72.8 -14.7 19.0 -4.4 54.9 93 119 A F S < S- 0 0 7 -3,-1.8 229,-0.1 229,-0.2 5,-0.0 -0.817 93.0-106.7-111.1 135.8 15.5 -2.9 54.7 94 120 A D >> - 0 0 73 -2,-0.4 4,-2.1 227,-0.2 3,-0.9 -0.415 25.9-132.4 -60.9 131.7 13.0 -2.6 57.5 95 121 A P H 3> S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.771 106.5 55.1 -58.5 -29.7 10.2 -5.2 57.0 96 122 A K H 3> S+ 0 0 164 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.792 107.9 49.0 -74.2 -28.9 7.5 -2.5 57.7 97 123 A E H <4 S+ 0 0 41 -3,-0.9 4,-0.4 2,-0.2 3,-0.3 0.876 110.0 51.2 -74.2 -39.9 9.0 -0.4 55.0 98 124 A L H >< S+ 0 0 20 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.861 101.3 62.2 -64.8 -36.6 9.0 -3.4 52.6 99 125 A Q H >< S+ 0 0 129 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.902 97.8 57.9 -52.5 -39.1 5.3 -4.0 53.5 100 126 A Q T 3< S+ 0 0 72 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.669 111.1 41.7 -66.0 -19.8 4.6 -0.5 52.0 101 127 A T T < S+ 0 0 0 -3,-1.4 7,-2.4 -4,-0.4 8,-0.7 0.135 98.2 94.8-113.3 15.9 6.1 -1.7 48.6 102 128 A T E < -F 107 0C 25 -3,-1.6 2,-0.4 5,-0.2 5,-0.2 -0.891 51.1-172.8-110.2 139.4 4.5 -5.1 48.7 103 129 A V E > S-F 106 0C 28 3,-2.6 3,-2.3 -2,-0.4 -29,-0.1 -0.996 71.9 -13.8-136.5 127.9 1.2 -5.9 46.9 104 130 A N T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.877 129.8 -54.0 43.5 41.9 -0.7 -9.2 47.2 105 131 A G T 3 S+ 0 0 53 1,-0.2 2,-0.5 -6,-0.1 -1,-0.3 0.459 114.1 117.2 81.2 3.9 2.5 -10.7 48.7 106 132 A K E < -F 103 0C 71 -3,-2.3 -3,-2.6 -25,-0.1 2,-0.8 -0.901 66.3-129.4-112.5 128.8 4.7 -9.7 45.9 107 133 A L E +F 102 0C 0 -2,-0.5 -26,-2.7 -5,-0.2 -5,-0.2 -0.636 27.9 179.6 -80.8 108.4 7.6 -7.3 46.5 108 134 A N - 0 0 0 -7,-2.4 2,-0.3 -2,-0.8 178,-0.3 0.626 59.5 -7.4 -90.9 -15.5 7.2 -4.6 43.8 109 135 A G - 0 0 0 -8,-0.7 176,-0.2 -11,-0.2 -1,-0.2 -0.970 64.2-109.2-168.3 160.0 10.1 -2.3 44.7 110 136 A I E -D 284 0A 0 174,-2.4 174,-1.6 -2,-0.3 2,-0.3 -0.923 38.1-128.4 -96.2 120.8 12.8 -1.6 47.2 111 137 A P E -D 283 0A 0 0, 0.0 172,-0.2 0, 0.0 210,-0.2 -0.575 20.4-165.2 -68.9 126.7 12.0 1.6 49.2 112 138 A I E - 0 0 12 170,-2.6 209,-2.8 -2,-0.3 210,-0.5 0.883 62.3 -25.4 -82.6 -41.0 15.1 3.9 48.9 113 139 A S E -D 282 0A 0 169,-0.6 168,-2.6 207,-0.3 169,-0.6 -0.914 63.7-111.0-160.6 166.6 14.3 6.4 51.7 114 140 A V E +D 280 0A 8 205,-0.5 205,-0.3 166,-0.3 2,-0.3 -0.781 35.2 177.1-110.1 164.0 11.2 7.8 53.4 115 141 A T E -D 279 0A 1 164,-2.1 164,-2.1 -2,-0.3 2,-0.3 -0.995 18.3-167.3-159.3 157.8 9.9 11.4 53.1 116 142 A A E -D 278 0A 1 -2,-0.3 128,-1.2 162,-0.2 2,-0.5 -0.980 34.9-107.5-143.7 153.9 7.3 13.9 54.0 117 143 A R E +G 243 0D 6 160,-0.7 160,-0.3 -2,-0.3 2,-0.3 -0.725 51.7 160.8 -78.1 127.8 6.4 17.4 52.8 118 144 A I E -G 242 0D 1 124,-2.0 124,-2.3 -2,-0.5 2,-0.4 -0.887 42.7 -81.3-138.8 175.7 7.5 19.9 55.4 119 145 A F E +G 241 0D 3 -2,-0.3 144,-2.7 122,-0.2 2,-0.4 -0.643 39.5 177.1 -87.9 127.3 8.2 23.6 55.4 120 146 A Y E -GH 240 262D 0 120,-2.6 120,-2.5 -2,-0.4 2,-0.3 -0.997 13.3-160.6-125.0 136.2 11.6 25.0 54.3 121 147 A F E -GH 239 261D 2 140,-2.8 140,-2.8 -2,-0.4 2,-0.7 -0.882 25.7-114.4-124.4 148.6 12.2 28.7 54.2 122 148 A N E > - H 0 260D 2 116,-2.6 4,-2.0 -2,-0.3 5,-0.2 -0.683 27.1-159.9 -76.9 112.0 14.6 31.1 52.6 123 149 A D H > S+ 0 0 53 136,-2.6 4,-2.1 -2,-0.7 -1,-0.2 0.860 85.4 57.1 -70.4 -33.7 16.5 32.5 55.5 124 150 A A H > S+ 0 0 29 135,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.932 111.4 42.0 -58.5 -48.6 17.7 35.6 53.7 125 151 A T H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 112.7 51.1 -69.4 -45.6 14.2 36.8 52.9 126 152 A W H X>S+ 0 0 2 -4,-2.0 5,-1.4 1,-0.2 4,-1.1 0.894 109.2 53.1 -59.5 -37.8 12.6 36.0 56.2 127 153 A A H <5S+ 0 0 76 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.917 108.3 50.1 -61.5 -43.3 15.5 37.9 57.9 128 154 A K H <5S+ 0 0 131 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.4 49.7 -60.2 -40.2 14.6 40.9 55.6 129 155 A A H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.709 104.5-135.8 -69.2 -20.3 11.0 40.6 56.6 130 156 A G T <5 + 0 0 66 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.679 60.3 131.0 68.4 20.7 12.1 40.5 60.3 131 157 A L < - 0 0 56 -5,-1.4 -1,-0.3 12,-0.0 2,-0.2 -0.807 55.1-132.1-105.0 143.4 9.6 37.6 60.9 132 158 A E - 0 0 145 -2,-0.3 3,-0.1 1,-0.1 -5,-0.0 -0.549 45.6 -82.9 -82.9 162.5 10.3 34.3 62.6 133 159 A Y - 0 0 58 -2,-0.2 -1,-0.1 1,-0.1 7,-0.1 -0.329 57.0 -93.2 -68.2 143.6 9.1 31.2 60.9 134 160 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.352 36.0-176.4 -62.0 137.1 5.4 30.4 61.5 135 161 A K S S+ 0 0 126 -3,-0.1 132,-0.8 1,-0.1 2,-0.3 0.517 71.5 34.4-105.8 -13.8 4.7 28.1 64.5 136 162 A T S > S- 0 0 50 130,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.896 84.9-110.6-136.7 163.7 1.0 27.9 63.9 137 163 A W H > S+ 0 0 6 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.886 119.0 56.8 -63.4 -38.7 -1.4 27.9 61.0 138 164 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 105.9 49.3 -56.9 -45.0 -2.5 31.4 62.1 139 165 A E H > S+ 0 0 85 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.830 108.8 53.4 -66.5 -33.8 1.1 32.7 61.9 140 166 A L H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 3,-0.5 0.959 112.0 44.1 -61.4 -50.4 1.4 31.3 58.4 141 167 A L H >< S+ 0 0 31 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.868 114.2 51.5 -61.6 -36.5 -1.7 33.0 57.2 142 168 A A H 3X S+ 0 0 58 -4,-2.2 4,-1.1 1,-0.2 3,-0.3 0.705 95.4 71.2 -73.6 -23.5 -0.6 36.2 59.0 143 169 A A H 3X S+ 0 0 3 -4,-1.3 4,-2.6 -3,-0.5 -1,-0.2 0.797 86.0 66.7 -63.6 -31.8 2.9 36.2 57.3 144 170 A G H S+ 0 0 124 -4,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.893 112.9 50.3 -59.1 -42.0 0.4 40.6 54.9 146 172 A V H X>S+ 0 0 50 -4,-1.1 4,-2.9 2,-0.2 5,-0.5 0.915 112.4 46.2 -64.2 -45.2 3.7 41.3 56.6 147 173 A F H X>S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-1.8 0.959 114.0 48.6 -58.6 -51.5 5.6 40.1 53.5 148 174 A K H <5S+ 0 0 91 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.871 121.3 34.6 -58.3 -42.9 3.4 42.2 51.2 149 175 A E H <5S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.883 123.7 39.0 -84.2 -42.7 3.7 45.4 53.3 150 176 A K H <5S+ 0 0 143 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.874 134.4 17.4 -78.1 -40.2 7.3 45.2 54.6 151 177 A L T < < - 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