==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-FEB-03 1HJW . COMPND 2 MOLECULE: CHITINASE-3 LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.HOUSTON,A.D.RECKLIES,J.C.KRUPA,D.M.F.VAN AALTEN . 724 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 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 . 51 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 1 0 5 0 2 3 3 0 2 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 8 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 PARALLEL BRIDGES PER LADDER . 2 1 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 0 0 2 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 22 A Y 0 0 141 0, 0.0 2,-0.3 0, 0.0 326,-0.3 0.000 360.0 360.0 360.0 166.8 17.7 43.5 49.8 2 23 A K E -a 327 0A 63 324,-2.4 326,-2.2 2,-0.0 2,-0.4 -0.798 360.0-165.5-103.0 147.6 17.4 41.7 46.5 3 24 A L E -a 328 0A 7 -2,-0.3 29,-2.0 324,-0.2 28,-1.6 -0.803 12.3-173.6-136.0 88.8 19.6 38.7 45.6 4 25 A V E -ab 329 32A 0 324,-2.4 326,-3.0 -2,-0.4 2,-0.4 -0.796 4.6-172.9 -90.9 117.9 19.3 38.1 41.9 5 26 A a E -ab 330 33A 0 27,-3.0 29,-2.7 -2,-0.6 2,-0.3 -0.947 14.2-140.4-120.7 131.2 21.1 35.0 40.7 6 27 A Y E - b 0 34A 2 324,-2.4 327,-2.7 -2,-0.4 2,-0.4 -0.624 11.3-168.7 -89.3 143.8 21.6 33.8 37.1 7 28 A Y E - b 0 35A 0 27,-2.4 29,-2.6 -2,-0.3 2,-0.5 -0.997 16.4-142.1-128.6 131.2 21.3 30.2 36.0 8 29 A T E > - b 0 36A 0 -2,-0.4 3,-1.8 27,-0.2 4,-0.3 -0.853 9.4-142.2-104.7 130.3 22.6 29.3 32.6 9 30 A S G > S+ 0 0 1 27,-3.1 3,-0.6 -2,-0.5 4,-0.2 0.736 99.4 59.9 -56.5 -25.1 20.8 26.7 30.4 10 31 A W G > S+ 0 0 96 26,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.558 81.0 79.2 -86.8 -6.1 24.2 25.5 29.1 11 32 A S G X S+ 0 0 0 -3,-1.8 9,-1.7 1,-0.2 3,-1.6 0.682 78.2 74.0 -72.1 -18.3 25.7 24.4 32.4 12 33 A Q G < S+ 0 0 10 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.843 90.6 59.5 -62.1 -31.1 23.8 21.2 32.3 13 34 A Y G < S+ 0 0 113 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.484 78.2 120.2 -77.6 -3.9 26.2 20.1 29.6 14 35 A R S < >S- 0 0 35 -3,-1.6 5,-0.7 4,-0.3 253,-0.1 -0.423 72.1 -97.2 -70.2 136.2 29.3 20.3 31.8 15 36 A E T > 5S- 0 0 108 251,-0.3 3,-3.2 3,-0.2 4,-0.4 -0.068 71.6 -43.8 -49.4 142.1 31.3 17.2 32.3 16 37 A G G > 5S+ 0 0 66 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 -0.011 134.6 9.6 38.1-117.8 30.8 15.2 35.5 17 38 A D G 3 5S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 322,-0.1 0.529 121.1 70.9 -68.5 -8.7 30.6 17.3 38.6 18 39 A G G < 5S+ 0 0 0 -3,-3.2 -4,-0.3 -5,-0.1 -1,-0.3 0.780 72.3 109.7 -76.5 -26.8 30.4 20.4 36.4 19 40 A S < < - 0 0 40 -3,-1.3 2,-0.5 -5,-0.7 -7,-0.3 -0.251 50.2-172.3 -54.4 118.6 26.9 19.4 35.3 20 41 A C + 0 0 0 -9,-1.7 -6,-0.1 -12,-0.1 -7,-0.1 -0.968 10.0 177.6-124.3 126.6 24.3 21.8 36.8 21 42 A F > - 0 0 71 -2,-0.5 3,-2.8 -10,-0.1 4,-0.2 -0.900 43.4-107.9-119.5 150.5 20.5 21.4 36.6 22 43 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 0.725 115.7 64.8 -48.9 -30.6 17.9 23.7 38.2 23 44 A D G 3 S+ 0 0 106 1,-0.3 4,-0.1 3,-0.0 -3,-0.0 0.568 92.4 65.0 -73.4 -6.9 17.0 21.1 40.9 24 45 A A G < S+ 0 0 25 -3,-2.8 -1,-0.3 2,-0.1 2,-0.3 0.481 84.1 101.9 -89.5 -3.3 20.6 21.5 42.1 25 46 A L S < S- 0 0 7 -3,-1.7 2,-0.9 -4,-0.2 -18,-0.0 -0.603 80.9-120.8 -86.5 141.4 19.7 25.1 43.0 26 47 A D >> - 0 0 37 -2,-0.3 3,-2.1 1,-0.2 4,-0.6 -0.720 16.8-153.2 -81.7 107.0 19.0 26.0 46.6 27 48 A R T 34 S+ 0 0 54 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.695 94.4 50.5 -54.3 -19.2 15.5 27.4 46.5 28 49 A F T 34 S+ 0 0 106 1,-0.1 -1,-0.3 41,-0.0 -2,-0.0 0.549 89.4 80.6-100.0 -4.8 16.3 29.4 49.6 29 50 A L T <4 S+ 0 0 4 -3,-2.1 2,-0.2 2,-0.0 -2,-0.1 0.952 94.2 30.7 -64.4 -53.5 19.6 31.0 48.4 30 51 A a < - 0 0 9 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.589 58.7-141.0-109.5 165.4 18.3 33.9 46.3 31 52 A T S S+ 0 0 52 -28,-1.6 39,-2.2 1,-0.3 2,-0.3 0.696 97.7 23.5 -93.0 -23.2 15.3 36.2 46.2 32 53 A H E -bc 4 70A 17 -29,-2.0 -27,-3.0 37,-0.2 2,-0.5 -1.000 63.2-164.3-143.0 136.6 15.3 36.0 42.3 33 54 A I E -bc 5 71A 2 37,-2.2 39,-2.3 -2,-0.3 2,-0.6 -0.991 11.9-156.5-122.1 127.5 16.6 33.4 39.9 34 55 A I E -bc 6 72A 0 -29,-2.7 -27,-2.4 -2,-0.5 2,-0.5 -0.910 8.1-145.3-108.2 115.8 17.0 34.4 36.2 35 56 A Y E -bc 7 73A 0 37,-3.2 39,-3.3 -2,-0.6 2,-0.4 -0.636 27.4-124.5 -80.8 125.5 17.0 31.7 33.7 36 57 A S E +bc 8 74A 0 -29,-2.6 -27,-3.1 -2,-0.5 -26,-0.3 -0.984 62.9 11.7-131.9 133.4 19.3 32.4 30.7 37 58 A F E + 0 0 27 37,-0.6 2,-0.2 -2,-0.4 38,-0.2 0.549 44.1 174.7-129.5 163.6 18.7 32.5 28.0 38 59 A A E - c 0 75A 0 36,-2.8 38,-1.1 -3,-0.2 9,-0.2 -0.668 30.7-133.2 -95.0 155.8 15.5 32.5 25.9 39 60 A N E -I 46 0B 32 7,-1.8 7,-1.9 -2,-0.2 2,-0.4 -0.348 4.1-131.4 -98.2-179.2 15.7 33.0 22.1 40 61 A I E +I 45 0B 4 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.921 28.9 177.7-136.1 108.9 13.7 35.2 19.7 41 62 A S E > -I 44 0B 48 3,-2.4 3,-1.8 -2,-0.4 -2,-0.0 -0.968 69.4 -11.2-119.8 129.7 12.4 33.4 16.7 42 63 A N T 3 S- 0 0 139 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.901 129.1 -57.6 49.7 43.0 10.2 35.0 14.0 43 64 A D T 3 S+ 0 0 51 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.633 117.4 110.5 66.0 16.9 9.9 38.0 16.4 44 65 A H E < S-I 41 0B 92 -3,-1.8 -3,-2.4 57,-0.1 2,-0.3 -0.914 77.4-109.0-119.1 148.1 8.4 35.8 19.2 45 66 A I E +I 40 0B 5 -2,-0.3 -5,-0.2 53,-0.3 2,-0.2 -0.628 53.5 169.4 -73.7 132.4 10.1 34.9 22.4 46 67 A D E -I 39 0B 68 -7,-1.9 -7,-1.8 -2,-0.3 2,-0.1 -0.778 35.5 -82.8-135.9-179.4 11.0 31.2 22.2 47 68 A T - 0 0 47 -2,-0.2 -9,-0.1 -9,-0.2 3,-0.1 -0.399 27.6-166.7 -81.9 165.7 12.9 28.4 23.9 48 69 A W + 0 0 119 1,-0.3 2,-0.3 -11,-0.2 -1,-0.1 0.722 67.0 53.5-118.6 -54.7 16.6 27.9 23.3 49 70 A E S > S- 0 0 28 -12,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.641 86.2-117.8 -86.0 147.5 17.7 24.4 24.6 50 71 A W T 3 S+ 0 0 208 1,-0.3 3,-0.2 -2,-0.3 4,-0.1 0.804 116.2 36.7 -52.2 -33.8 15.7 21.3 23.4 51 72 A N T 3> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.047 76.1 120.1-110.3 24.2 14.7 20.7 27.0 52 73 A D H <> S+ 0 0 0 -3,-2.2 4,-4.3 1,-0.2 5,-0.4 0.941 75.7 57.3 -53.2 -47.3 14.2 24.2 28.2 53 74 A V H > S+ 0 0 83 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.916 108.3 46.4 -50.5 -45.8 10.6 23.4 29.0 54 75 A T H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.968 116.4 44.9 -62.0 -48.1 11.8 20.6 31.3 55 76 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.878 106.6 57.3 -64.3 -39.3 14.3 22.9 32.9 56 77 A Y H X S+ 0 0 2 -4,-4.3 4,-2.7 1,-0.2 -1,-0.2 0.893 109.4 49.9 -58.5 -36.5 11.9 25.8 33.3 57 78 A G H X S+ 0 0 33 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.2 0.946 107.9 49.2 -66.3 -49.8 9.8 23.4 35.2 58 79 A M H X S+ 0 0 45 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.921 115.1 47.7 -53.3 -46.4 12.6 22.2 37.5 59 80 A L H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.935 112.8 46.6 -61.1 -50.2 13.4 25.8 38.2 60 81 A N H >< S+ 0 0 21 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 0.804 100.4 66.1 -68.2 -25.4 9.9 26.9 38.9 61 82 A T H >< S+ 0 0 68 -4,-2.4 3,-3.3 1,-0.3 4,-0.4 0.858 85.9 73.7 -60.1 -34.4 9.2 23.9 41.2 62 83 A L T << S+ 0 0 7 -4,-0.9 4,-0.4 -3,-0.7 -1,-0.3 0.687 85.7 66.0 -52.4 -18.7 11.7 25.5 43.5 63 84 A K T < S+ 0 0 39 -3,-2.0 -1,-0.3 -4,-0.2 6,-0.2 0.544 82.0 79.4 -82.2 -8.4 8.9 28.0 44.2 64 85 A N S < S+ 0 0 112 -3,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.948 102.5 30.8 -66.1 -53.8 6.8 25.3 45.9 65 86 A R S S+ 0 0 197 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.624 128.0 50.5 -79.4 -11.1 8.5 25.2 49.3 66 87 A N > + 0 0 28 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.698 62.0 177.1-132.5 84.8 9.3 29.0 48.7 67 88 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.826 81.4 50.4 -51.5 -43.2 6.3 31.1 47.7 68 89 A N T 3 S+ 0 0 137 2,-0.1 2,-0.4 0, 0.0 -5,-0.1 0.367 81.0 112.3 -85.2 8.7 8.1 34.5 47.7 69 90 A L < - 0 0 2 -3,-1.7 2,-0.4 -6,-0.2 -37,-0.2 -0.651 57.4-151.6 -77.6 134.5 10.9 33.2 45.4 70 91 A K E -c 32 0A 34 -39,-2.2 -37,-2.2 -2,-0.4 2,-0.3 -0.869 9.1-161.3-112.4 144.7 10.7 34.9 42.1 71 92 A T E -c 33 0A 0 -2,-0.4 41,-1.7 -39,-0.2 42,-0.6 -0.928 6.4-173.9-122.8 148.5 11.9 33.6 38.7 72 93 A L E -cd 34 113A 0 -39,-2.3 -37,-3.2 -2,-0.3 2,-0.5 -0.979 21.3-133.8-140.5 152.4 12.6 35.5 35.5 73 94 A L E -cd 35 114A 0 40,-2.1 42,-2.6 -2,-0.3 2,-0.5 -0.938 22.7-147.8-108.1 122.7 13.5 34.5 31.9 74 95 A S E -cd 36 115A 0 -39,-3.3 -36,-2.8 -2,-0.5 -37,-0.6 -0.782 7.9-160.0 -94.2 129.0 16.4 36.5 30.4 75 96 A V E +cd 38 116A 0 40,-3.0 42,-3.1 -2,-0.5 2,-0.5 -0.920 60.2 19.3-110.4 133.7 16.4 37.2 26.7 76 97 A G E + d 0 117A 2 -38,-1.1 4,-0.4 -2,-0.5 42,-0.2 -0.949 61.4 178.0 119.8-125.1 19.6 38.1 24.9 77 98 A G > - 0 0 2 40,-2.8 4,-0.8 -2,-0.5 42,-0.3 -0.069 50.0 -71.0 99.1 156.9 23.1 37.4 26.3 78 99 A W T >4 S+ 0 0 163 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.920 129.2 41.7 -50.3 -58.7 26.6 38.0 25.0 79 100 A N T 34 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.898 99.5 73.1 -61.6 -39.7 26.7 35.3 22.3 80 101 A F T 34 S- 0 0 22 -4,-0.4 4,-0.4 1,-0.1 -1,-0.3 0.786 97.8-146.2 -43.9 -31.1 23.1 36.1 21.1 81 102 A G S+ 0 0 49 37,-0.3 4,-2.2 1,-0.2 5,-0.2 0.631 104.2 80.3 -78.8 -14.8 23.1 42.8 19.3 83 104 A Q H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.925 92.1 46.5 -56.7 -54.0 22.1 42.4 15.6 84 105 A R H > S+ 0 0 86 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.898 113.6 49.1 -57.1 -48.0 18.8 40.5 16.1 85 106 A F H >X S+ 0 0 4 -4,-0.6 4,-3.5 2,-0.2 3,-0.6 0.942 109.4 51.7 -58.6 -52.7 17.6 42.8 18.9 86 107 A S H 3X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.948 108.5 49.9 -48.3 -59.3 18.3 46.0 16.9 87 108 A K H 3X S+ 0 0 130 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.749 117.5 43.1 -51.9 -30.1 16.3 44.7 13.8 88 109 A I H << S+ 0 0 7 -4,-1.2 7,-0.4 -3,-0.6 -2,-0.2 0.908 114.0 47.4 -83.5 -48.8 13.4 43.9 16.2 89 110 A A H < S+ 0 0 1 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.681 115.2 45.5 -69.2 -22.3 13.5 47.0 18.4 90 111 A S H < S+ 0 0 47 -4,-2.3 2,-0.5 -5,-0.3 -1,-0.2 0.780 96.6 78.2 -92.4 -29.8 13.6 49.4 15.4 91 112 A N S X S- 0 0 63 -4,-0.7 4,-2.0 -5,-0.4 5,-0.2 -0.675 72.9-149.4 -79.2 124.5 11.0 47.8 13.3 92 113 A T H > S+ 0 0 83 -2,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.823 94.7 48.7 -65.6 -31.4 7.5 48.8 14.7 93 114 A Q H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.7 48.4 -72.2 -47.4 5.8 45.6 13.6 94 115 A S H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 108.8 54.6 -59.3 -41.9 8.5 43.3 15.0 95 116 A R H X S+ 0 0 21 -4,-2.0 4,-2.9 -7,-0.4 -1,-0.2 0.897 109.5 46.2 -60.9 -45.3 8.5 45.1 18.3 96 117 A R H X S+ 0 0 103 -4,-1.3 4,-3.3 2,-0.2 5,-0.2 0.905 112.8 49.5 -65.7 -44.4 4.7 44.7 18.8 97 118 A T H X S+ 0 0 52 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 115.5 43.9 -59.6 -48.6 4.8 41.0 17.9 98 119 A F H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 -53,-0.3 0.935 116.0 47.1 -63.0 -47.8 7.7 40.4 20.3 99 120 A I H >< S+ 0 0 2 -4,-2.9 3,-0.8 -5,-0.2 -2,-0.2 0.965 113.1 48.6 -59.9 -49.7 6.2 42.4 23.0 100 121 A K H 3< S+ 0 0 130 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 107.4 56.6 -59.3 -37.6 2.8 40.7 22.6 101 122 A S H 3X S+ 0 0 16 -4,-2.3 4,-1.4 -58,-0.3 -1,-0.2 0.805 95.7 69.6 -66.6 -28.4 4.4 37.2 22.6 102 123 A V H S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.923 114.1 48.5 -50.3 -46.1 3.4 37.8 28.8 104 125 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.886 111.8 50.1 -61.0 -36.3 1.6 34.6 27.5 105 126 A F H X S+ 0 0 21 -4,-1.4 4,-2.0 -3,-0.4 6,-0.2 0.909 111.9 46.5 -69.1 -41.7 4.9 32.7 27.2 106 127 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.3 0.872 115.8 45.7 -69.9 -35.9 6.0 33.6 30.8 107 128 A R H ><5S+ 0 0 84 -4,-2.4 3,-1.0 -5,-0.3 -2,-0.2 0.906 112.0 51.6 -70.7 -43.4 2.5 32.7 32.1 108 129 A T H 3<5S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.864 119.0 37.9 -61.4 -35.8 2.5 29.5 30.1 109 130 A H T 3<5S- 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.316 113.8-110.0-102.9 11.5 5.9 28.6 31.5 110 131 A G T < 5 + 0 0 34 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.605 62.5 148.6 78.7 11.3 5.5 29.8 35.1 111 132 A F < - 0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 -39,-0.2 -0.581 43.6-148.5 -85.4 144.0 7.9 32.8 35.0 112 133 A D S S- 0 0 20 -41,-1.7 40,-2.4 -2,-0.2 2,-0.3 0.597 71.6 -30.8 -81.8 -11.0 7.4 35.9 37.2 113 134 A G E -de 72 152A 0 -42,-0.6 -40,-2.1 38,-0.3 2,-0.4 -0.994 62.7 -84.1 176.6-179.3 8.9 38.2 34.7 114 135 A L E -de 73 153A 0 38,-2.7 40,-2.7 -2,-0.3 2,-0.5 -0.896 20.7-158.9-115.1 139.3 11.3 39.1 31.9 115 136 A D E -de 74 154A 0 -42,-2.6 -40,-3.0 -2,-0.4 2,-0.6 -0.972 14.7-145.9-114.8 126.8 15.0 40.2 32.0 116 137 A L E +de 75 155A 1 38,-2.9 40,-2.4 -2,-0.5 2,-0.2 -0.842 19.6 176.0 -94.6 125.0 16.4 42.0 28.9 117 138 A A E +d 76 0A 4 -42,-3.1 -40,-2.8 -2,-0.6 2,-1.0 -0.590 11.3 162.4-126.5 67.2 20.0 41.3 28.2 118 139 A W - 0 0 2 -42,-0.2 2,-0.7 -2,-0.2 -36,-0.1 -0.807 32.3-143.9 -90.1 102.6 20.6 43.2 25.0 119 140 A L S S- 0 0 16 -2,-1.0 -37,-0.3 -42,-0.3 -38,-0.1 -0.852 72.1 -12.3-111.2 95.8 24.4 43.4 24.8 120 141 A Y - 0 0 60 -2,-0.7 -1,-0.3 -39,-0.2 -38,-0.1 0.637 52.9-147.6-142.1 157.3 24.4 46.0 23.6 121 142 A P - 0 0 2 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.335 43.0-124.9 -58.5 134.3 22.3 48.7 22.0 122 143 A G >> - 0 0 26 -40,-0.1 3,-1.6 1,-0.1 4,-0.8 -0.193 29.1 -95.8 -72.7 176.7 24.5 50.5 19.5 123 144 A R G >4 S+ 0 0 133 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.914 133.4 52.0 -58.2 -36.4 24.9 54.3 19.6 124 145 A R G 34 S+ 0 0 164 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.550 105.9 55.8 -74.6 -9.7 22.1 54.2 17.0 125 146 A D G <> S+ 0 0 5 -3,-1.6 4,-2.6 1,-0.1 -1,-0.2 0.522 73.0 100.7-101.5 -7.7 19.9 52.0 19.2 126 147 A K H S+ 0 0 116 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.936 113.3 53.0 -60.8 -48.8 16.3 55.5 21.6 128 149 A H H > S+ 0 0 61 -4,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.867 105.4 55.9 -55.6 -37.7 14.9 52.2 20.4 129 150 A F H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.952 108.5 46.6 -61.2 -47.9 16.1 50.6 23.7 130 151 A T H X S+ 0 0 18 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.899 113.6 49.1 -59.8 -43.0 14.1 53.1 25.7 131 152 A T H X S+ 0 0 44 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.932 110.2 50.9 -63.3 -47.5 11.0 52.6 23.5 132 153 A L H X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.942 112.7 45.7 -56.0 -49.2 11.3 48.8 23.8 133 154 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.927 113.1 51.2 -62.0 -42.0 11.5 49.0 27.6 134 155 A K H X S+ 0 0 112 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.924 114.1 40.2 -61.7 -50.2 8.6 51.4 27.7 135 156 A E H X S+ 0 0 64 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.897 112.4 56.0 -69.1 -38.9 6.1 49.5 25.6 136 157 A M H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.921 108.9 48.1 -57.5 -46.4 7.1 46.1 27.1 137 158 A K H X S+ 0 0 22 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.8 54.2 -62.9 -38.1 6.3 47.5 30.5 138 159 A A H X S+ 0 0 56 -4,-1.7 4,-3.4 1,-0.2 5,-0.2 0.967 107.0 51.1 -57.9 -53.8 3.0 48.9 29.2 139 160 A E H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.850 110.0 50.1 -50.9 -40.9 2.0 45.4 28.0 140 161 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 11,-0.4 0.920 112.6 45.3 -66.9 -45.4 2.8 43.9 31.4 141 162 A I H X S+ 0 0 82 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.879 114.9 49.7 -64.3 -37.6 0.7 46.5 33.2 142 163 A K H < S+ 0 0 108 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.863 109.1 52.2 -68.6 -36.1 -2.0 45.9 30.6 143 164 A E H < S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.883 113.5 41.7 -68.7 -38.3 -1.7 42.1 31.2 144 165 A A H X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.576 82.5 122.3 -83.8 -7.7 -2.1 42.4 34.9 145 166 A Q T < S+ 0 0 140 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.620 73.3 40.8 -24.1 -45.4 -4.9 45.0 34.3 146 167 A P T 4 S- 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.899 135.2 -52.2 -75.7 -89.4 -7.6 43.0 36.2 147 168 A G T 4 S+ 0 0 77 2,-0.1 -2,-0.1 0, 0.0 -3,-0.1 0.168 87.8 130.8-141.5 21.9 -6.1 41.5 39.3 148 169 A K < - 0 0 111 -4,-1.1 2,-0.8 -5,-0.2 -4,-0.1 -0.348 69.4-103.8 -74.2 156.4 -3.0 39.6 38.3 149 170 A K - 0 0 128 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.768 55.0-110.9 -77.8 116.7 0.3 40.0 40.2 150 171 A Q - 0 0 69 -2,-0.8 -9,-0.1 1,-0.1 -1,-0.1 -0.197 28.6-108.6 -55.2 139.1 2.1 42.2 37.5 151 172 A L - 0 0 0 -11,-0.4 -38,-0.3 1,-0.1 2,-0.2 -0.372 34.9-119.2 -67.0 145.9 5.0 40.6 35.6 152 173 A L E -e 113 0A 37 -40,-2.4 -38,-2.7 -2,-0.1 2,-0.4 -0.589 20.3-157.9 -87.9 149.6 8.4 42.0 36.5 153 174 A L E +e 114 0A 0 -2,-0.2 25,-2.6 -40,-0.2 26,-1.0 -0.975 20.2 161.1-131.5 118.4 10.7 43.7 34.0 154 175 A S E -ef 115 179A 0 -40,-2.7 -38,-2.9 -2,-0.4 2,-0.3 -0.829 20.2-154.4-129.5 169.4 14.5 43.9 34.5 155 176 A A E -ef 116 180A 0 24,-1.2 26,-2.6 -2,-0.3 2,-0.8 -0.986 14.9-137.9-147.7 134.3 17.6 44.6 32.3 156 177 A A E - f 0 181A 4 -40,-2.4 2,-0.3 -2,-0.3 26,-0.2 -0.850 34.0-164.0 -93.4 110.4 21.2 43.5 32.7 157 178 A L E - f 0 182A 1 24,-2.6 26,-3.8 -2,-0.8 -38,-0.1 -0.746 21.9-102.8-105.4 147.5 23.3 46.6 31.8 158 179 A S E - f 0 183A 8 -2,-0.3 26,-0.1 24,-0.2 -1,-0.1 -0.221 15.5-149.7 -57.3 145.8 26.9 47.1 30.9 159 180 A A + 0 0 3 24,-0.7 2,-0.6 26,-0.2 56,-0.2 0.229 65.9 111.5 -99.4 10.5 29.1 48.5 33.7 160 181 A G > - 0 0 22 1,-0.1 4,-3.7 54,-0.1 5,-0.2 -0.786 62.7-147.4 -94.2 120.0 31.3 50.1 30.9 161 182 A K H > S+ 0 0 42 -2,-0.6 4,-2.6 52,-0.3 5,-0.2 0.884 98.3 48.7 -50.4 -50.1 31.2 53.9 30.6 162 183 A V H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.986 116.7 43.5 -55.1 -55.3 31.7 54.1 26.9 163 184 A T H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.914 112.1 54.2 -55.0 -44.6 29.0 51.5 26.4 164 185 A I H X S+ 0 0 1 -4,-3.7 4,-1.5 1,-0.2 -1,-0.2 0.865 109.3 47.9 -60.9 -37.0 26.8 53.2 29.0 165 186 A D H < S+ 0 0 56 -4,-2.6 -1,-0.2 -3,-0.4 -2,-0.2 0.880 118.4 38.1 -72.7 -38.3 27.1 56.6 27.1 166 187 A S H < S+ 0 0 30 -4,-2.2 -40,-0.4 -5,-0.2 -2,-0.2 0.895 126.1 34.2 -80.9 -34.9 26.3 55.2 23.7 167 188 A S H < S+ 0 0 2 -4,-2.9 2,-0.4 -5,-0.3 -3,-0.2 0.826 104.9 62.4 -91.5 -33.2 23.6 52.7 24.6 168 189 A Y < - 0 0 7 -4,-1.5 2,-0.9 -5,-0.4 3,-0.1 -0.854 39.7-169.2-118.4 138.6 21.6 54.0 27.6 169 190 A D > - 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0 0 30 -2,-0.8 3,-1.5 -3,-0.1 4,-0.2 -0.357 26.3-126.9 -70.0 147.3 40.5 42.2 28.8 190 211 A A G > S+ 0 0 34 1,-0.3 3,-2.3 2,-0.2 67,-0.1 0.781 100.5 81.2 -63.8 -27.1 43.6 40.1 27.9 191 212 A W G 3 S+ 0 0 185 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.661 76.9 76.3 -52.4 -17.8 44.2 42.3 24.8 192 213 A R G < S- 0 0 77 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.768 98.8-131.9 -67.3 -29.2 45.9 44.7 27.2 193 214 A G S < S+ 0 0 12 -3,-2.3 64,-2.2 1,-0.3 2,-0.3 0.439 73.5 77.5 91.1 -0.6 49.0 42.6 27.5 194 215 A T B S-J 256 0C 42 62,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 -0.916 85.3 -92.9-138.0 163.1 49.2 42.7 31.3 195 216 A T + 0 0 1 60,-1.6 59,-1.9 -2,-0.3 2,-0.3 -0.471 51.4 155.1 -74.2 147.0 47.6 41.1 34.4 196 217 A G - 0 0 3 57,-0.2 2,-0.4 -8,-0.2 110,-0.2 -0.914 45.5-102.5-170.0 145.7 44.6 43.0 35.8 197 218 A H - 0 0 6 -2,-0.3 100,-0.1 1,-0.1 110,-0.1 -0.643 19.3-151.4 -81.5 129.9 41.6 42.1 37.9 198 219 A H S S+ 0 0 0 -2,-0.4 -11,-2.0 1,-0.2 -1,-0.1 0.643 91.1 31.8 -73.6 -14.0 38.4 41.9 36.0 199 220 A S S S+ 0 0 0 -14,-0.2 -1,-0.2 -13,-0.1 2,-0.2 -0.388 73.3 163.5-141.3 60.6 36.2 42.9 39.0 200 221 A P - 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