==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-APR-02 1LL7 . COMPND 2 MOLECULE: CHITINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: COCCIDIOIDES IMMITIS; . AUTHOR K.BORTONE,A.F.MONZINGO,S.ERNST,J.D.ROBERTUS . 784 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 59 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 9 3 0 0 2 0 2 0 2 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 10 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 . 3 0 6 2 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 . 0 0 0 2 0 0 0 0 2 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 36 A G 0 0 109 0, 0.0 369,-0.1 0, 0.0 367,-0.0 0.000 360.0 360.0 360.0-168.1 77.9 -36.0 84.3 2 37 A G - 0 0 33 1,-0.1 367,-0.3 367,-0.1 2,-0.2 -0.247 360.0 -86.9 -73.7 177.6 78.1 -37.9 81.0 3 38 A F B -a 369 0A 40 365,-3.1 367,-2.5 360,-0.2 2,-0.3 -0.575 37.1-131.1 -84.6 145.8 78.0 -36.0 77.6 4 39 A R E -b 339 0B 22 334,-2.5 336,-2.4 -2,-0.2 2,-0.5 -0.748 10.0-161.0 -95.7 144.9 74.8 -35.0 75.9 5 40 A S E -b 340 0B 1 -2,-0.3 25,-3.1 334,-0.2 26,-1.9 -0.975 20.5-178.2-124.6 109.6 74.0 -35.6 72.2 6 41 A V E -bc 341 31B 0 334,-2.9 336,-2.1 -2,-0.5 2,-0.4 -0.931 4.8-179.2-117.9 129.2 71.2 -33.3 71.2 7 42 A V E -bc 342 32B 0 24,-2.4 26,-3.0 -2,-0.4 2,-0.5 -0.969 23.7-130.8-132.4 148.7 69.5 -33.1 67.7 8 43 A Y E - c 0 33B 2 334,-2.0 337,-2.7 -2,-0.4 2,-0.6 -0.823 14.5-162.9 -91.4 125.1 66.8 -31.0 66.2 9 44 A F E - c 0 34B 0 24,-3.3 26,-2.8 -2,-0.5 2,-0.5 -0.983 14.6-151.1-107.5 122.5 64.1 -32.9 64.3 10 45 A V E > - c 0 35B 0 -2,-0.6 3,-2.2 24,-0.2 4,-0.3 -0.799 8.8-141.8 -97.4 125.5 62.3 -30.4 62.1 11 46 A N G > S+ 0 0 7 24,-3.1 3,-0.8 -2,-0.5 25,-0.1 0.762 99.1 60.7 -72.1 -15.1 58.6 -31.2 61.4 12 47 A W G > S+ 0 0 94 23,-0.2 3,-1.7 1,-0.2 5,-0.4 0.619 82.2 87.1 -81.2 -4.0 58.7 -29.9 57.8 13 48 A A G < S+ 0 0 0 -3,-2.2 6,-2.5 1,-0.3 5,-0.2 0.761 73.1 71.2 -63.1 -21.7 61.5 -32.6 57.1 14 49 A I G < S+ 0 0 19 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.514 97.1 54.6 -73.8 -7.7 58.7 -35.2 56.3 15 50 A Y S X S- 0 0 93 -3,-1.7 3,-2.4 4,-0.1 642,-0.1 0.482 123.2 -4.5 -94.2-115.6 57.9 -33.4 53.0 16 51 A G T 3 S+ 0 0 25 1,-0.3 641,-0.4 -4,-0.1 -3,-0.1 0.789 134.0 54.6 -51.5 -35.8 60.4 -32.6 50.3 17 52 A R T 3 S- 0 0 49 -5,-0.4 -1,-0.3 2,-0.1 -3,-0.2 0.701 94.7-144.5 -75.3 -17.7 63.3 -33.9 52.4 18 53 A G < + 0 0 21 -3,-2.4 2,-0.6 -5,-0.2 -4,-0.2 0.786 47.2 143.7 62.9 32.0 61.7 -37.3 52.9 19 54 A H - 0 0 19 -6,-2.5 -1,-0.2 -7,-0.1 -2,-0.1 -0.900 24.3-179.4-112.1 118.6 63.0 -37.6 56.5 20 55 A N > - 0 0 34 -2,-0.6 3,-2.0 -3,-0.1 4,-0.1 -0.718 42.8-107.5-108.8 163.6 60.8 -39.2 59.0 21 56 A P G > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.866 115.6 69.0 -61.9 -29.0 61.5 -39.9 62.7 22 57 A Q G 3 S+ 0 0 78 1,-0.3 4,-0.1 3,-0.1 -3,-0.0 0.642 90.0 63.2 -59.9 -22.0 61.9 -43.6 61.9 23 58 A D G < S+ 0 0 74 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.419 78.3 109.9 -85.0 -2.3 65.1 -42.7 60.1 24 59 A L S < S- 0 0 14 -3,-2.3 2,-2.1 -4,-0.1 3,-0.2 -0.608 73.1-132.3 -77.0 129.9 66.9 -41.5 63.2 25 60 A K > - 0 0 95 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.631 31.7-170.3 -76.5 84.5 69.7 -43.6 64.5 26 61 A A G > S+ 0 0 18 -2,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.845 71.2 67.7 -51.6 -36.3 68.1 -43.3 68.0 27 62 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.538 92.8 59.8 -68.4 -5.3 71.0 -44.8 69.9 28 63 A Q G < S+ 0 0 28 -3,-2.2 2,-0.3 337,-0.0 -1,-0.3 0.456 99.0 64.3-100.8 6.3 73.4 -41.9 69.1 29 64 A F < - 0 0 8 -3,-1.8 -23,-0.2 -4,-0.2 3,-0.1 -0.882 48.6-170.1-125.6 153.8 71.3 -39.2 70.8 30 65 A T S S+ 0 0 0 -25,-3.1 58,-2.5 -2,-0.3 2,-0.3 0.549 82.3 30.4-106.1 -21.3 70.2 -38.4 74.3 31 66 A H E -cd 6 88B 0 -26,-1.9 -24,-2.4 56,-0.2 2,-0.4 -0.984 57.5-166.4-149.3 131.0 67.8 -35.6 73.4 32 67 A I E -cd 7 89B 0 56,-2.2 58,-2.6 -2,-0.3 2,-0.5 -0.979 12.8-153.5-117.1 128.7 65.6 -34.8 70.3 33 68 A L E -cd 8 90B 0 -26,-3.0 -24,-3.3 -2,-0.4 2,-0.7 -0.919 10.0-146.5-104.9 124.5 64.1 -31.4 70.1 34 69 A Y E -cd 9 91B 4 56,-3.0 58,-2.8 -2,-0.5 2,-0.3 -0.855 30.2-120.2 -99.0 111.7 60.9 -31.3 68.1 35 70 A A E +c 10 0B 0 -26,-2.8 -24,-3.1 -2,-0.7 -23,-0.2 -0.831 59.2 5.2-113.7 139.7 60.6 -28.1 66.1 36 71 A F E + 0 0 20 56,-0.5 12,-0.5 -2,-0.3 57,-0.3 0.542 39.8 169.8-138.0 139.5 58.8 -25.9 66.1 37 72 A A E -Ed 47 93B 1 55,-2.9 57,-2.4 -3,-0.3 2,-0.2 -0.553 33.1-137.4 -81.6 157.7 55.6 -25.0 68.1 38 73 A N E -E 46 0B 15 8,-2.7 8,-2.4 -2,-0.2 2,-0.4 -0.672 7.3-126.2-112.1 170.8 54.2 -21.5 67.6 39 74 A I E -E 45 0B 2 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.975 11.4-143.5-126.6 132.3 52.9 -18.9 70.1 40 75 A R > - 0 0 100 4,-3.1 3,-2.2 -2,-0.4 75,-0.0 -0.519 33.8-106.9 -81.8 158.0 49.5 -17.1 70.0 41 76 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 70,-0.0 0.836 121.5 61.4 -57.8 -29.1 49.3 -13.4 71.1 42 77 A S T 3 S- 0 0 57 1,-0.1 72,-0.2 2,-0.1 73,-0.2 0.651 124.1-104.9 -66.6 -17.2 47.6 -14.7 74.2 43 78 A G S < S+ 0 0 0 -3,-2.2 2,-0.1 1,-0.3 75,-0.1 0.175 74.6 145.6 102.8 -12.9 50.7 -16.7 75.2 44 79 A E - 0 0 65 -5,-0.1 -4,-3.1 74,-0.1 2,-0.4 -0.396 40.7-145.8 -63.5 127.7 49.0 -19.9 74.1 45 80 A V E +E 39 0B 1 69,-0.3 2,-0.3 70,-0.2 -6,-0.2 -0.747 24.6 175.1 -92.7 140.3 51.5 -22.3 72.6 46 81 A Y E -E 38 0B 61 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.3 -0.969 36.5 -92.5-144.2 160.8 50.2 -24.6 69.8 47 82 A L E -E 37 0B 28 -2,-0.3 3,-0.3 -10,-0.2 -10,-0.2 -0.537 28.6-145.0 -77.0 134.9 51.5 -27.1 67.3 48 83 A S S S+ 0 0 34 -12,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.720 85.5 21.5 -76.2 -21.9 52.5 -25.6 63.9 49 84 A D > - 0 0 41 1,-0.1 4,-3.2 2,-0.1 -1,-0.3 -0.628 57.1-175.4-149.3 93.2 51.4 -28.4 61.7 50 85 A T H >>S+ 0 0 78 -3,-0.3 5,-2.5 -2,-0.2 4,-2.2 0.759 85.6 60.1 -65.2 -22.9 48.8 -30.9 62.9 51 86 A W H 4>S+ 0 0 132 3,-0.2 5,-2.7 4,-0.2 4,-0.5 0.993 117.4 29.0 -63.2 -63.8 49.2 -33.1 59.7 52 87 A A H 45S+ 0 0 0 3,-0.2 21,-2.9 1,-0.1 22,-0.2 0.887 127.3 46.4 -59.6 -43.9 52.9 -33.8 60.3 53 88 A D H <5S- 0 0 2 -4,-3.2 21,-2.5 19,-0.2 22,-0.3 0.940 135.1 -10.1 -71.8 -50.2 52.6 -33.5 64.1 54 89 A T T <5S+ 0 0 8 -4,-2.2 17,-2.4 -5,-0.2 -3,-0.2 0.635 122.4 52.0-126.3 -22.4 49.5 -35.6 64.9 55 90 A D T - 0 0 18 -2,-0.4 3,-2.7 14,-0.1 2,-0.0 -0.748 45.4 -67.7-112.6 163.1 52.4 -44.2 59.2 59 94 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.368 128.4 33.8 -52.6 126.8 52.6 -48.0 58.5 60 95 A G T 3 S+ 0 0 66 1,-0.3 2,-0.7 -3,-0.0 -3,-0.0 -0.019 88.5 116.4 108.5 -22.9 51.4 -49.6 61.7 61 96 A D < - 0 0 11 -3,-2.7 -1,-0.3 1,-0.0 -4,-0.1 -0.684 58.4-142.6 -85.3 116.1 48.9 -46.9 62.6 62 97 A K - 0 0 91 -2,-0.7 3,-0.1 1,-0.1 -4,-0.1 -0.280 9.6-151.5 -71.4 157.6 45.4 -48.3 62.6 63 98 A W S S+ 0 0 209 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.721 91.5 52.6 -98.5 -25.6 42.3 -46.4 61.3 64 99 A D S S+ 0 0 127 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.133 72.7 145.6 -98.9 6.8 39.8 -48.0 63.4 65 100 A E - 0 0 34 1,-0.1 4,-0.1 -3,-0.1 320,-0.0 -0.311 50.8-117.1 -60.1 126.1 41.3 -47.6 66.9 66 101 A P S S+ 0 0 114 0, 0.0 319,-0.1 0, 0.0 -1,-0.1 -0.279 75.4 11.4 -50.8 139.8 38.8 -47.0 69.8 67 102 A G S S- 0 0 55 317,-0.1 2,-0.6 2,-0.1 316,-0.1 -0.098 107.2 -39.1 80.6 179.4 39.1 -43.7 71.6 68 103 A N - 0 0 86 314,-0.2 316,-2.3 2,-0.0 317,-0.3 -0.762 69.6-176.5 -85.3 114.7 40.9 -40.4 70.9 69 104 A N - 0 0 23 -2,-0.6 2,-0.4 314,-0.2 -2,-0.1 -0.856 22.6-138.3-126.1 149.3 44.4 -41.2 69.4 70 105 A V + 0 0 1 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.866 27.8 157.0-105.5 144.4 47.6 -39.5 68.3 71 106 A Y > + 0 0 20 -17,-2.4 4,-2.2 -2,-0.4 3,-0.3 -0.061 32.0 81.1-128.1-132.7 49.5 -40.4 65.2 72 107 A G H > S- 0 0 0 -16,-2.6 4,-1.4 1,-0.2 -19,-0.2 0.020 108.5 -40.1 56.3-162.2 52.0 -38.2 63.1 73 108 A C H > S+ 0 0 0 -21,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.823 133.2 68.9 -68.4 -28.6 55.5 -37.7 64.1 74 109 A I H > S+ 0 0 1 -21,-2.5 4,-2.2 -3,-0.3 -2,-0.2 0.956 101.5 46.8 -56.3 -48.9 54.5 -37.3 67.8 75 110 A K H X S+ 0 0 5 -4,-2.2 4,-2.3 -22,-0.3 -1,-0.2 0.909 111.0 51.3 -59.8 -41.4 53.6 -41.1 67.9 76 111 A Q H X S+ 0 0 14 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.895 106.8 53.6 -64.3 -38.6 56.8 -42.0 66.2 77 112 A M H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 108.6 50.0 -60.5 -45.6 58.8 -40.0 68.7 78 113 A Y H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.891 107.0 55.0 -60.0 -40.5 57.1 -41.9 71.6 79 114 A L H X S+ 0 0 60 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.921 106.8 50.7 -57.0 -43.1 58.0 -45.2 69.8 80 115 A L H X S+ 0 0 25 -4,-2.0 4,-1.5 2,-0.2 3,-0.3 0.937 108.9 51.4 -60.7 -45.5 61.6 -44.2 69.8 81 116 A K H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 6,-0.3 0.936 107.9 52.8 -54.9 -50.9 61.4 -43.4 73.6 82 117 A K H 3< S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.830 114.5 42.0 -52.7 -38.7 59.9 -46.9 74.2 83 118 A N H 3< S+ 0 0 147 -4,-1.7 2,-0.4 -3,-0.3 -1,-0.3 0.606 122.0 37.9 -89.7 -19.3 62.7 -48.5 72.5 84 119 A N X< - 0 0 38 -4,-1.5 3,-2.0 -3,-0.8 -1,-0.3 -0.824 63.0-172.0-137.9 100.0 65.5 -46.4 73.9 85 120 A R T 3 S+ 0 0 84 -2,-0.4 289,-2.5 1,-0.3 -1,-0.1 0.643 85.8 59.1 -66.9 -14.8 65.0 -45.5 77.4 86 121 A N T 3 S+ 0 0 22 287,-0.2 2,-0.7 285,-0.1 -1,-0.3 0.360 85.1 98.8 -93.7 4.5 67.9 -43.1 77.4 87 122 A L < - 0 0 0 -3,-2.0 2,-0.3 -6,-0.3 -56,-0.2 -0.818 55.4-169.4 -96.3 120.1 66.3 -41.1 74.6 88 123 A K E -d 31 0B 0 -58,-2.5 -56,-2.2 -2,-0.7 2,-0.4 -0.843 6.3-153.6-104.1 148.9 64.5 -37.9 75.8 89 124 A T E -d 32 0B 2 -2,-0.3 40,-2.1 -58,-0.2 41,-0.6 -0.919 8.9-169.4-120.0 141.3 62.2 -35.7 73.6 90 125 A L E -df 33 130B 0 -58,-2.6 -56,-3.0 -2,-0.4 2,-0.6 -0.980 25.0-123.6-132.1 146.8 61.5 -32.0 74.1 91 126 A L E -df 34 131B 1 39,-2.3 41,-2.8 -2,-0.4 2,-0.5 -0.818 29.0-149.7 -87.5 116.8 58.9 -29.7 72.5 92 127 A S E - f 0 132B 0 -58,-2.8 -55,-2.9 -2,-0.6 -56,-0.5 -0.814 11.4-162.7 -98.3 129.7 60.8 -26.9 70.9 93 128 A I E +df 37 133B 0 39,-2.9 41,-3.1 -2,-0.5 2,-0.6 -0.941 52.4 0.7-116.9 129.3 58.9 -23.6 70.8 94 129 A G E > + f 0 134B 0 -57,-2.4 4,-0.5 -2,-0.4 41,-0.2 -0.874 58.0 173.5 107.6-119.2 59.8 -20.6 68.6 95 130 A G H > - 0 0 1 39,-2.6 4,-2.3 -2,-0.6 41,-0.3 -0.171 59.6 -52.3 89.5 175.7 62.8 -20.6 66.2 96 131 A W H 4 S+ 0 0 181 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.881 134.7 42.1 -53.4 -54.8 63.6 -18.0 63.7 97 132 A T H 4 S+ 0 0 118 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.918 122.0 40.9 -61.1 -45.7 60.3 -17.6 61.8 98 133 A Y H >< S+ 0 0 63 -4,-0.5 3,-2.1 1,-0.2 -1,-0.2 0.666 86.4 93.0 -82.6 -15.6 58.2 -17.7 65.0 99 134 A S G >< S+ 0 0 6 -4,-2.3 3,-2.3 -3,-0.3 4,-0.5 0.799 71.3 71.1 -55.7 -34.3 60.4 -15.6 67.4 100 135 A P G 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.782 91.8 65.5 -37.9 -34.2 58.5 -12.2 66.6 101 136 A N G < S+ 0 0 60 -3,-2.1 -2,-0.2 1,-0.2 5,-0.2 0.472 84.4 71.3 -76.4 -6.0 55.7 -13.8 68.6 102 137 A F S <> S+ 0 0 1 -3,-2.3 4,-2.7 -4,-0.1 5,-0.3 0.910 80.8 70.2 -77.2 -41.6 57.4 -13.9 71.9 103 138 A K H > S+ 0 0 105 -4,-0.5 4,-1.6 -3,-0.4 -2,-0.1 0.835 99.0 43.5 -51.5 -50.3 57.5 -10.2 72.9 104 139 A T H >4 S+ 0 0 68 -4,-0.4 3,-0.8 2,-0.2 4,-0.5 0.967 118.2 40.3 -70.9 -54.9 53.8 -9.6 73.6 105 140 A P H >4 S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 7,-0.4 0.925 116.1 55.0 -55.2 -39.5 52.9 -12.8 75.7 106 141 A A H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.793 95.1 67.5 -66.9 -27.4 56.2 -12.5 77.4 107 142 A S T << S+ 0 0 44 -4,-1.6 2,-0.4 -3,-0.8 -1,-0.3 0.662 99.1 51.2 -71.7 -12.6 55.6 -8.9 78.5 108 143 A T S <> S- 0 0 56 -3,-1.3 4,-3.0 -4,-0.5 5,-0.2 -0.942 75.4-128.3-127.5 158.3 52.8 -9.7 81.0 109 144 A E H > S+ 0 0 122 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.857 113.6 52.4 -64.4 -31.7 52.2 -12.1 83.8 110 145 A E H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 110.9 47.6 -69.7 -44.0 49.0 -13.3 82.2 111 146 A G H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.919 110.9 50.9 -62.4 -46.9 50.8 -13.9 79.0 112 147 A R H X S+ 0 0 25 -4,-3.0 4,-2.7 -7,-0.4 -1,-0.2 0.899 111.1 47.1 -60.6 -44.1 53.6 -15.8 80.7 113 148 A K H X S+ 0 0 74 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.909 109.8 53.3 -67.5 -37.8 51.3 -18.1 82.7 114 149 A K H X S+ 0 0 102 -4,-2.4 4,-3.0 -72,-0.2 5,-0.4 0.972 111.3 47.8 -59.4 -48.3 49.2 -18.8 79.5 115 150 A F H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.958 114.5 45.7 -52.1 -56.3 52.6 -19.8 77.8 116 151 A A H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.892 116.5 43.6 -56.9 -46.2 53.6 -22.0 80.8 117 152 A D H X S+ 0 0 100 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.950 116.5 45.6 -69.9 -45.9 50.2 -23.7 81.2 118 153 A T H X S+ 0 0 15 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.865 113.7 49.5 -67.4 -33.0 49.7 -24.4 77.4 119 154 A S H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.4 -1,-0.2 0.927 112.0 48.4 -74.1 -36.0 53.2 -25.6 77.0 120 155 A L H X S+ 0 0 26 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.934 109.3 54.2 -66.7 -41.4 52.9 -28.0 80.0 121 156 A K H X S+ 0 0 79 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.912 110.2 45.7 -54.1 -48.1 49.5 -29.2 78.5 122 157 A L H X S+ 0 0 13 -4,-2.0 4,-2.8 2,-0.2 6,-0.2 0.953 111.9 53.1 -61.2 -46.9 51.2 -30.0 75.2 123 158 A M H X>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 4,-0.9 0.934 113.8 39.7 -57.1 -52.3 54.1 -31.7 77.0 124 159 A K H <5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.742 117.7 49.0 -76.5 -24.2 52.0 -34.1 79.1 125 160 A D H <5S+ 0 0 12 -4,-1.8 258,-0.3 -5,-0.3 -1,-0.2 0.887 116.8 39.8 -78.7 -36.3 49.5 -34.8 76.3 126 161 A L H <5S- 0 0 7 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.1 0.411 111.6-109.8 -98.9 2.5 52.0 -35.6 73.7 127 162 A G T <5 + 0 0 2 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.775 59.0 154.4 84.8 29.5 54.6 -37.6 75.7 128 163 A F < - 0 0 2 -5,-1.9 -1,-0.2 -6,-0.2 -38,-0.2 -0.643 46.5-139.4 -95.7 152.6 57.6 -35.3 75.9 129 164 A D S S- 0 0 2 -40,-2.1 43,-2.6 -2,-0.3 2,-0.3 0.435 77.0 -40.8 -82.9 -1.5 60.3 -35.1 78.6 130 165 A G E -fg 90 172B 0 -41,-0.6 -39,-2.3 41,-0.3 2,-0.3 -0.982 62.2 -86.8 167.0-169.1 60.4 -31.3 78.6 131 166 A I E -fg 91 173B 0 41,-1.8 43,-1.8 -41,-0.3 2,-0.4 -0.962 20.3-154.7-135.0 148.5 60.3 -28.1 76.5 132 167 A D E -fg 92 174B 0 -41,-2.8 -39,-2.9 -2,-0.3 2,-0.5 -0.987 11.6-152.1-124.0 130.5 62.9 -26.0 74.8 133 168 A I E -fg 93 175B 0 41,-2.2 43,-1.6 -2,-0.4 2,-0.5 -0.926 9.9-173.6-114.9 127.2 62.4 -22.3 74.1 134 169 A D E +f 94 0B 0 -41,-3.1 -39,-2.6 -2,-0.5 2,-0.7 -0.829 10.4 168.6-124.1 86.0 64.1 -20.6 71.2 135 170 A W - 0 0 9 -2,-0.5 2,-0.5 41,-0.3 -39,-0.1 -0.924 27.7-145.9 -98.1 114.4 63.5 -16.9 71.3 136 171 A Q S S- 0 0 32 -2,-0.7 -37,-0.1 1,-0.3 -2,-0.0 -0.889 71.0 -10.9-127.2 94.0 65.9 -15.5 68.7 137 172 A Y - 0 0 64 -2,-0.5 -1,-0.3 -38,-0.1 2,-0.3 0.685 52.4-141.8-139.4 155.2 66.6 -13.1 70.1 138 173 A P - 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0 0 50 208,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.355 38.1-110.5 -92.0 168.4 60.4 -38.4 86.3 170 205 A K - 0 0 150 -2,-0.1 2,-0.3 -7,-0.0 -1,-0.1 -0.565 38.7-127.9 -83.2 160.6 61.6 -34.8 86.6 171 206 A F - 0 0 6 -2,-0.2 -41,-0.3 -16,-0.1 2,-0.2 -0.839 15.3-119.3-119.4 155.1 61.1 -32.7 83.4 172 207 A L E -g 130 0B 2 -43,-2.6 -41,-1.8 -2,-0.3 2,-0.4 -0.557 15.5-168.3 -97.4 150.6 63.5 -30.6 81.4 173 208 A L E +g 131 0B 0 -2,-0.2 24,-3.1 -43,-0.2 25,-0.7 -0.993 23.9 161.3-134.7 129.5 63.6 -26.9 80.5 174 209 A T E -gh 132 198B 0 -43,-1.8 -41,-2.2 -2,-0.4 2,-0.3 -0.922 17.8-162.1-146.2 160.8 66.2 -26.0 77.9 175 210 A I E -gh 133 199B 2 23,-0.9 25,-2.3 -2,-0.3 2,-0.5 -0.964 25.0-117.9-144.2 161.8 66.8 -23.0 75.5 176 211 A A E - h 0 200B 2 -43,-1.6 -41,-0.3 -2,-0.3 25,-0.2 -0.905 40.9-156.5 -96.8 133.8 68.7 -22.3 72.4 177 212 A S E - h 0 201B 0 23,-2.9 25,-3.0 -2,-0.5 2,-0.1 -0.849 14.2-103.0-122.2 150.0 71.2 -19.5 73.2 178 213 A P E - h 0 202B 4 0, 0.0 25,-0.1 0, 0.0 23,-0.0 -0.393 15.0-167.8 -70.1 138.9 73.1 -16.8 71.1 179 214 A A + 0 0 5 23,-0.5 54,-0.3 25,-0.2 58,-0.1 0.529 66.5 94.4 -96.6 -11.9 76.8 -17.1 70.2 180 215 A G S >> S- 0 0 15 1,-0.1 3,-2.4 22,-0.1 4,-2.3 -0.734 73.3-140.5 -84.3 119.5 76.9 -13.4 69.1 181 216 A P H 3> S+ 0 0 32 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.862 101.2 59.6 -47.5 -45.4 78.2 -11.0 71.9 182 217 A Q H 34 S+ 0 0 153 1,-0.2 4,-0.1 2,-0.2 -2,-0.0 0.721 114.7 37.4 -59.2 -22.1 75.6 -8.3 70.9 183 218 A N H X4 S+ 0 0 52 -3,-2.4 3,-1.4 2,-0.1 4,-0.2 0.873 120.8 40.7 -93.7 -51.0 72.9 -10.8 71.6 184 219 A Y H >< S+ 0 0 2 -4,-2.3 3,-2.4 1,-0.3 5,-0.2 0.880 103.7 68.3 -70.2 -28.1 74.2 -12.7 74.7 185 220 A N T 3< S+ 0 0 102 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.594 98.3 52.7 -68.0 -11.1 75.6 -9.6 76.4 186 221 A K T < S+ 0 0 66 -3,-1.4 -1,-0.3 -5,-0.2 2,-0.2 0.428 93.5 91.3 -99.5 6.2 72.1 -8.3 77.0 187 222 A L S < S- 0 0 18 -3,-2.4 2,-1.5 -4,-0.2 3,-0.2 -0.619 80.2-124.7 -98.1 154.9 70.8 -11.5 78.6 188 223 A K > + 0 0 66 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.614 40.2 173.1 -95.5 76.8 70.8 -12.2 82.3 189 224 A L H > S+ 0 0 13 -2,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.922 70.9 46.9 -54.1 -53.7 72.8 -15.4 81.9 190 225 A A H > S+ 0 0 53 54,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.916 114.4 50.4 -61.0 -38.4 73.5 -16.3 85.6 191 226 A E H >4 S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.955 112.1 45.2 -60.2 -54.0 69.8 -15.6 86.4 192 227 A M H >X S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 4,-0.7 0.862 101.5 67.9 -57.9 -41.2 68.4 -17.8 83.6 193 228 A D H >< S+ 0 0 20 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.828 87.6 67.3 -52.5 -34.7 70.8 -20.6 84.4 194 229 A K T << S+ 0 0 140 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.815 106.3 41.8 -56.3 -33.2 69.0 -21.3 87.7 195 230 A Y T <4 S+ 0 0 41 -3,-2.1 2,-0.3 -4,-0.4 -1,-0.3 0.648 101.5 86.1 -92.9 -11.2 66.0 -22.4 85.8 196 231 A L << - 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