==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-NOV-12 3ZBL . COMPND 2 MOLECULE: 3-KETOACYL-COA THIOLASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR R.K.HARIJAN,T.-R.KIEMA,M.S.WEISS,P.A.M.MICHELS,R.K.WIERENGA . 858 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 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 0.2 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 . 48 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.6 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 8 0 4 2 2 0 0 2 0 3 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 3 0 0 1 1 4 2 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 0 0 0 0 0 0 0 0 0 0 0 1 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 13 A S 0 0 104 0, 0.0 2,-0.2 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 -29.8 -59.4 9.0 15.6 2 14 A R - 0 0 89 123,-0.0 259,-0.4 276,-0.0 2,-0.4 -0.550 360.0-142.1 -74.3 151.1 -59.1 6.1 18.1 3 15 A V E -A 279 0A 1 276,-0.6 276,-2.7 -2,-0.2 2,-0.4 -0.967 15.7-169.6-123.9 131.9 -58.1 2.7 16.5 4 16 A F E -AB 278 259A 0 255,-2.8 255,-2.1 -2,-0.4 2,-0.6 -0.934 23.3-134.3-122.3 136.1 -59.5 -0.7 17.5 5 17 A I E -AB 277 258A 0 272,-3.2 272,-1.1 -2,-0.4 253,-0.2 -0.842 24.1-178.9 -81.8 119.6 -58.5 -4.3 16.7 6 18 A V E - 0 0 0 251,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.787 56.7 -54.5 -92.7 -33.4 -61.8 -5.9 15.9 7 19 A G E - B 0 257A 1 250,-0.8 250,-2.4 270,-0.1 -1,-0.4 -0.954 55.6-177.5 175.2-176.2 -60.5 -9.4 15.1 8 20 A G E - B 0 256A 9 -2,-0.3 2,-0.3 248,-0.2 248,-0.2 -0.972 16.8-119.5 178.8-166.8 -57.9 -11.3 13.0 9 21 A H E - B 0 255A 40 246,-2.3 246,-2.8 -2,-0.3 2,-0.4 -0.993 7.0-162.2-160.9 143.3 -56.4 -14.6 12.0 10 22 A I E - B 0 254A 14 -2,-0.3 244,-0.2 244,-0.2 3,-0.1 -0.998 17.6-144.0-130.7 131.5 -53.1 -16.4 12.0 11 23 A T - 0 0 13 242,-2.6 197,-0.0 -2,-0.4 29,-0.0 -0.517 37.9 -85.6 -82.0 159.5 -52.4 -19.5 9.8 12 24 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 241,-0.2 -0.413 46.2-127.3 -51.9 142.9 -50.3 -22.4 11.0 13 25 A F - 0 0 2 195,-2.5 2,-0.3 361,-0.2 239,-0.2 -0.930 35.8-171.7-100.1 124.6 -46.7 -21.5 10.2 14 26 A V B +T 251 0B 22 237,-2.6 237,-2.8 -2,-0.5 2,-0.3 -0.862 23.5 113.6-126.9 150.2 -45.1 -24.2 8.2 15 27 A G > - 0 0 0 -2,-0.3 3,-2.1 235,-0.2 6,-0.3 -0.953 69.3 -16.5 178.5-165.0 -41.7 -25.3 6.8 16 28 A K T 3 S+ 0 0 127 233,-0.4 233,-0.1 -2,-0.3 6,-0.0 -0.251 126.4 26.3 -57.7 131.1 -39.1 -28.1 7.3 17 29 A G T 3 S+ 0 0 29 1,-0.3 -1,-0.3 4,-0.1 196,-0.2 0.371 93.8 109.6 94.0 -7.4 -39.7 -30.0 10.5 18 30 A S X - 0 0 11 -3,-2.1 3,-1.4 1,-0.1 -1,-0.3 -0.893 66.8-140.3 -93.8 140.9 -43.4 -29.3 10.7 19 31 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.693 103.1 63.5 -68.7 -17.4 -45.7 -32.3 10.1 20 32 A L T 3 S+ 0 0 96 190,-0.1 2,-0.5 -7,-0.1 -6,-0.1 0.582 84.5 90.5 -79.1 -11.7 -47.9 -30.0 8.2 21 33 A F S < S- 0 0 16 -3,-1.4 2,-0.6 -6,-0.3 -4,-0.1 -0.753 77.5-134.1 -89.1 128.4 -45.2 -29.3 5.6 22 34 A I + 0 0 27 -2,-0.5 2,-0.3 6,-0.1 12,-0.2 -0.720 42.3 145.2 -87.0 114.4 -45.3 -31.8 2.7 23 35 A D > - 0 0 46 -2,-0.6 3,-2.7 10,-0.1 2,-2.4 -0.888 68.1 -69.6-136.7 174.0 -41.9 -33.2 1.7 24 36 A K T 3 S+ 0 0 173 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.391 132.5 47.7 -64.5 78.3 -40.6 -36.5 0.4 25 37 A K T 3 S+ 0 0 168 -2,-2.4 -1,-0.3 1,-0.4 -3,-0.0 0.205 86.0 103.2 151.9 -1.0 -41.4 -38.1 3.7 26 38 A H S X S- 0 0 37 -3,-2.7 3,-2.9 1,-0.1 -1,-0.4 -0.914 79.2-119.1-109.4 140.7 -44.9 -36.8 4.3 27 39 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.779 114.0 48.7 -46.5 -31.5 -47.9 -39.3 3.7 28 40 A D T >> S+ 0 0 47 -5,-0.1 3,-2.6 2,-0.1 4,-2.2 0.263 74.1 137.2 -98.5 12.7 -49.2 -37.0 1.0 29 41 A F T <4 S+ 0 0 107 -3,-2.9 4,-0.1 1,-0.3 -5,-0.0 -0.371 82.7 13.3 -57.2 136.3 -46.0 -36.5 -0.9 30 42 A G T 34 S+ 0 0 71 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.245 125.9 64.4 76.9 -12.6 -47.0 -36.7 -4.6 31 43 A K T <4 S+ 0 0 166 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.737 108.3 18.2-107.7 -33.2 -50.7 -36.4 -3.7 32 44 A K < - 0 0 133 -4,-2.2 -2,-0.3 0, 0.0 -1,-0.3 -0.950 67.9-140.8-141.2 156.1 -51.0 -32.9 -2.2 33 45 A K - 0 0 197 -2,-0.3 3,-0.1 -4,-0.1 -10,-0.1 -0.841 24.6-102.4-121.3 154.6 -49.0 -29.7 -2.3 34 46 A N - 0 0 43 -2,-0.3 -13,-0.1 -12,-0.2 -1,-0.0 -0.363 57.1 -85.5 -64.5 152.0 -48.0 -27.0 0.2 35 47 A M - 0 0 94 1,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.318 38.7-133.3 -59.1 141.0 -50.0 -23.7 -0.3 36 48 A T > - 0 0 46 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.405 33.1 -98.5 -78.8 167.2 -48.7 -21.2 -2.8 37 49 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 126.9 54.2 -54.6 -43.0 -48.5 -17.5 -1.8 38 50 A E H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 109.6 47.5 -58.4 -42.9 -51.8 -16.9 -3.5 39 51 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.859 111.6 49.4 -67.9 -39.3 -53.4 -19.7 -1.4 40 52 A I H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.908 112.3 48.1 -65.4 -40.6 -52.0 -18.4 1.8 41 53 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.918 112.0 50.2 -67.4 -39.5 -53.2 -14.9 1.0 42 54 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.954 113.5 45.1 -59.5 -50.4 -56.7 -16.3 0.2 43 55 A T H X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.857 115.1 48.6 -63.8 -36.4 -56.8 -18.3 3.5 44 56 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.914 113.2 44.2 -74.5 -41.1 -55.6 -15.3 5.5 45 57 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.960 116.8 47.2 -68.9 -44.6 -58.0 -12.8 4.0 46 58 A Q H X S+ 0 0 78 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.931 113.9 46.9 -61.4 -47.5 -60.9 -15.1 4.3 47 59 A G H X S+ 0 0 10 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.875 109.7 53.2 -61.6 -40.9 -60.1 -16.1 7.9 48 60 A T H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 6,-0.2 0.932 111.8 45.8 -61.5 -42.7 -59.5 -12.5 8.9 49 61 A M H ><>S+ 0 0 1 -4,-2.2 5,-2.7 2,-0.2 3,-0.8 0.958 114.5 49.6 -62.8 -48.1 -63.0 -11.6 7.6 50 62 A E H ><5S+ 0 0 109 -4,-2.9 3,-1.3 1,-0.3 5,-0.2 0.926 113.3 43.4 -58.6 -48.5 -64.5 -14.7 9.2 51 63 A H H 3<5S+ 0 0 101 -4,-2.9 -1,-0.3 1,-0.3 -43,-0.2 0.597 110.5 56.5 -81.9 -4.7 -63.1 -14.1 12.6 52 64 A S T <<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.294 115.6-108.0-105.3 7.8 -63.8 -10.4 12.6 53 65 A G T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.718 87.0 118.2 77.3 21.5 -67.6 -10.8 12.0 54 66 A L > < + 0 0 0 -5,-2.7 3,-2.4 -6,-0.2 -4,-0.2 0.477 27.8 127.2-104.6 0.2 -67.4 -9.6 8.4 55 67 A S T 3 S+ 0 0 58 -6,-0.6 -9,-0.0 1,-0.3 0, 0.0 -0.342 83.3 14.1 -59.2 130.6 -68.6 -12.7 6.5 56 68 A G T 3 S+ 0 0 73 -2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.325 126.9 59.6 82.6 -5.4 -71.4 -11.6 4.2 57 69 A R X + 0 0 95 -3,-2.4 3,-2.0 1,-0.1 4,-0.2 -0.056 56.4 133.6-139.7 37.3 -70.6 -7.9 4.6 58 70 A E G > + 0 0 32 1,-0.3 3,-1.7 2,-0.2 -3,-0.1 0.761 60.5 77.4 -62.8 -23.0 -67.0 -7.8 3.3 59 71 A G G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.0 0.585 78.5 69.0 -62.1 -14.6 -68.0 -4.7 1.3 60 72 A I G < S+ 0 0 50 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.3 0.607 74.5 101.0 -83.7 -10.5 -67.9 -2.4 4.3 61 73 A V < - 0 0 0 -3,-1.7 72,-0.2 -4,-0.2 3,-0.1 -0.581 61.7-160.1 -64.4 130.4 -64.1 -2.9 4.4 62 74 A D - 0 0 41 70,-2.9 2,-0.3 -2,-0.3 71,-0.2 0.849 59.8 -8.4 -88.1 -34.1 -62.7 0.3 2.8 63 75 A Q E -c 133 0A 19 69,-0.8 71,-2.2 39,-0.2 2,-0.4 -0.993 54.2-136.4-162.8 162.4 -59.2 -0.8 1.9 64 76 A V E -cd 134 104A 2 39,-1.9 41,-1.3 -2,-0.3 2,-0.4 -0.969 10.4-167.3-127.1 136.0 -56.6 -3.5 2.2 65 77 A V E -cd 135 105A 1 69,-2.3 71,-2.5 -2,-0.4 2,-0.5 -0.997 11.0-156.0-126.0 129.8 -52.8 -3.2 2.8 66 78 A V E -cd 136 106A 0 39,-2.9 41,-2.4 -2,-0.4 2,-0.5 -0.896 3.4-154.0-107.7 126.8 -50.5 -6.2 2.3 67 79 A G E +cd 137 107A 0 69,-2.8 71,-2.0 -2,-0.5 2,-0.3 -0.894 31.9 146.0 -97.0 129.8 -47.2 -6.7 4.0 68 80 A N - 0 0 0 39,-1.7 42,-0.1 -2,-0.5 71,-0.1 -0.953 27.0-171.7-162.0 137.2 -44.7 -8.9 2.1 69 81 A F S S+ 0 0 1 69,-0.3 3,-0.2 -2,-0.3 41,-0.1 0.902 79.8 12.4 -94.9 -57.1 -41.0 -8.9 1.7 70 82 A L S >> S+ 0 0 0 1,-0.1 4,-2.5 2,-0.1 3,-2.0 0.113 75.4 121.0-120.5 20.1 -39.8 -11.3 -1.0 71 83 A G H 3> S+ 0 0 1 1,-0.3 6,-2.0 2,-0.2 4,-1.8 0.836 76.2 60.2 -53.5 -35.4 -42.8 -12.5 -3.0 72 84 A E H 34 S+ 0 0 1 4,-0.3 -1,-0.3 -3,-0.2 6,-0.2 0.687 116.7 33.3 -67.2 -20.2 -41.3 -11.2 -6.2 73 85 A L H <4 S+ 0 0 12 -3,-2.0 -2,-0.2 4,-0.2 -1,-0.1 0.854 125.4 35.7-100.8 -59.4 -38.3 -13.6 -5.6 74 86 A F H < S+ 0 0 14 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.805 137.9 19.3 -68.8 -29.4 -39.7 -16.7 -3.9 75 87 A S S < S- 0 0 30 -4,-1.8 -3,-0.2 -5,-0.5 -1,-0.2 0.316 96.2-123.1-124.9 6.3 -43.0 -16.7 -5.8 76 88 A S S S+ 0 0 29 -6,-0.3 2,-0.4 -5,-0.3 -4,-0.3 0.782 75.0 120.8 54.0 34.9 -42.2 -14.5 -8.9 77 89 A Q + 0 0 2 -6,-2.0 -4,-0.2 -7,-0.1 -2,-0.2 -0.962 28.3 154.0-143.3 114.3 -45.1 -12.4 -7.9 78 90 A G + 0 0 0 507,-1.7 511,-0.1 -2,-0.4 422,-0.0 -0.175 52.8 71.8-104.5-153.9 -45.4 -8.7 -6.9 79 91 A H > + 0 0 0 1,-0.1 4,-0.7 -2,-0.1 -1,-0.1 0.891 52.9 165.6 50.3 46.2 -48.4 -6.5 -7.2 80 92 A L H > + 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.634 55.9 82.1 -75.4 -9.1 -50.2 -8.2 -4.3 81 93 A G H > S+ 0 0 2 457,-0.2 4,-2.0 1,-0.2 3,-0.2 0.980 98.9 38.1 -54.8 -57.7 -52.8 -5.4 -3.9 82 94 A P H > S+ 0 0 0 0, 0.0 637,-1.9 0, 0.0 4,-1.5 0.724 112.4 58.8 -66.8 -23.4 -54.9 -6.9 -6.7 83 95 A A H < S+ 0 0 0 -4,-0.7 -2,-0.2 2,-0.2 -3,-0.1 0.883 106.7 48.4 -65.2 -39.0 -54.1 -10.4 -5.5 84 96 A A H >< S+ 0 0 1 -4,-2.4 3,-1.5 -3,-0.2 4,-0.4 0.901 107.3 55.0 -67.8 -41.2 -55.7 -9.3 -2.2 85 97 A I H 3< S+ 0 0 0 -4,-2.0 3,-0.4 632,-0.3 14,-0.3 0.852 112.6 43.6 -60.6 -35.4 -58.7 -7.9 -4.0 86 98 A G T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 631,-0.2 -2,-0.2 0.320 93.1 88.2 -88.5 10.1 -59.2 -11.4 -5.6 87 99 A S S X S+ 0 0 0 -3,-1.5 3,-0.5 1,-0.2 -41,-0.3 0.687 73.8 64.2 -83.5 -20.4 -58.5 -13.3 -2.4 88 100 A L T 3 S+ 0 0 19 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.881 120.5 22.8 -74.3 -31.8 -62.1 -13.4 -1.0 89 101 A T T > S+ 0 0 14 -4,-0.2 3,-2.3 -3,-0.1 -1,-0.2 -0.055 86.4 161.5-124.9 30.6 -63.3 -15.5 -3.9 90 102 A Y T < S+ 0 0 67 -3,-0.5 -3,-0.1 1,-0.3 3,-0.0 -0.237 71.3 15.7 -58.4 135.6 -60.0 -17.1 -5.0 91 103 A G T 3 S+ 0 0 76 1,-0.1 2,-0.8 629,-0.0 -1,-0.3 0.303 99.1 106.8 78.7 -9.5 -60.6 -20.2 -7.2 92 104 A Q X - 0 0 112 -3,-2.3 3,-1.8 3,-0.0 -1,-0.1 -0.749 68.7-139.9-105.8 89.0 -64.2 -19.3 -7.8 93 105 A A T 3 S- 0 0 95 -2,-0.8 628,-0.0 1,-0.2 -3,-0.0 -0.100 75.8 -5.5 -46.9 126.6 -64.4 -18.1 -11.4 94 106 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.509 90.0 154.9 68.7 5.7 -66.7 -15.1 -12.1 95 107 A S < - 0 0 47 -3,-1.8 -1,-0.2 -6,-0.2 -6,-0.1 -0.232 55.0 -92.3 -63.6 153.5 -68.1 -15.0 -8.6 96 108 A K - 0 0 195 1,-0.0 -1,-0.1 2,-0.0 0, 0.0 -0.393 43.3-160.6 -62.4 145.8 -69.5 -11.6 -7.2 97 109 A N > - 0 0 23 -3,-0.1 3,-1.5 1,-0.1 -1,-0.0 -0.877 17.9-168.4-139.3 101.8 -66.7 -9.8 -5.4 98 110 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.553 86.3 63.9 -65.5 -10.6 -67.5 -7.1 -2.9 99 111 A L T > S+ 0 0 0 -14,-0.3 3,-2.1 2,-0.1 617,-0.2 0.544 72.4 130.8 -89.4 -5.7 -63.8 -5.9 -2.7 100 112 A M T < S+ 0 0 64 -3,-1.5 617,-0.2 1,-0.3 -14,-0.0 -0.178 76.4 5.1 -59.1 130.9 -63.7 -4.8 -6.4 101 113 A Y T 3 S+ 0 0 62 615,-1.7 -1,-0.3 1,-0.2 616,-0.2 0.407 93.3 135.1 76.6 2.7 -62.3 -1.4 -7.0 102 114 A K < - 0 0 34 -3,-2.1 614,-0.9 614,-0.4 -1,-0.2 -0.403 65.4 -92.6 -73.5 155.0 -61.3 -0.7 -3.4 103 115 A P + 0 0 30 0, 0.0 -39,-1.9 0, 0.0 2,-0.3 -0.444 55.9 161.2 -65.5 144.7 -57.9 0.8 -2.7 104 116 A A E +d 64 0A 3 -41,-0.2 2,-0.3 -2,-0.1 -39,-0.2 -0.976 8.4 162.3-160.5 152.1 -55.1 -1.7 -2.0 105 117 A M E -d 65 0A 18 -41,-1.3 -39,-2.9 -2,-0.3 2,-0.4 -0.989 31.9-114.1-160.0 168.6 -51.4 -1.9 -2.0 106 118 A R E -dE 66 538A 0 432,-1.9 432,-2.5 -2,-0.3 2,-0.3 -0.890 27.2-165.8-107.4 138.3 -48.3 -3.8 -0.8 107 119 A V E -dE 67 537A 0 -41,-2.4 -39,-1.7 -2,-0.4 2,-0.4 -0.894 5.4-169.5-119.7 157.6 -45.8 -2.3 1.6 108 120 A E E + E 0 536A 0 428,-2.6 428,-1.9 -2,-0.3 403,-0.2 -0.984 31.8 145.9-153.4 133.0 -42.3 -3.4 2.5 109 121 A G > - 0 0 2 1,-0.7 3,-2.2 -2,-0.4 6,-0.1 -0.286 67.3 -99.3-159.3 61.3 -39.5 -2.9 4.9 110 122 A A G > S- 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.7 -0.222 99.1 -7.0 55.7-136.8 -37.9 -6.3 5.3 111 123 A S G 3 S+ 0 0 6 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.600 133.5 64.1 -74.4 -2.1 -39.1 -8.1 8.4 112 124 A A G <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.322 70.2 106.9 -91.6 8.6 -40.9 -5.0 9.6 113 125 A S H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.856 77.9 48.9 -60.0 -36.2 -43.3 -5.2 6.5 114 126 A G H > S+ 0 0 0 264,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.925 111.0 49.9 -70.0 -40.8 -46.3 -6.4 8.6 115 127 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.885 110.1 51.7 -61.2 -40.0 -45.8 -3.7 11.1 116 128 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.880 105.0 55.8 -67.0 -36.4 -45.6 -1.2 8.3 117 129 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.919 107.4 50.1 -60.6 -39.1 -48.9 -2.5 6.9 118 130 A V H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.950 111.2 47.4 -64.2 -50.1 -50.6 -1.8 10.2 119 131 A I H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 112.0 50.1 -57.0 -44.7 -49.3 1.8 10.4 120 132 A S H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.921 111.4 48.1 -60.7 -44.5 -50.4 2.5 6.8 121 133 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.895 111.1 52.0 -61.0 -42.4 -53.8 1.1 7.6 122 134 A M H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.860 105.0 55.0 -65.3 -37.2 -53.9 3.2 10.7 123 135 A N H X S+ 0 0 13 -4,-2.3 4,-1.0 1,-0.2 6,-0.2 0.936 107.2 50.9 -60.7 -41.4 -53.0 6.4 8.8 124 136 A A H ><>S+ 0 0 0 -4,-1.9 6,-1.4 1,-0.2 5,-0.8 0.910 109.3 50.8 -60.9 -43.4 -56.0 5.7 6.5 125 137 A L H 3<5S+ 0 0 3 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.777 114.3 43.5 -64.0 -29.6 -58.3 5.3 9.5 126 138 A K H 3<5S+ 0 0 76 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.559 107.3 61.7 -93.5 -5.7 -57.2 8.6 11.0 127 139 A S T <<5S- 0 0 15 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.369 109.0-107.6-103.8 -2.3 -57.2 10.6 7.8 128 140 A G T 5S+ 0 0 71 2,-0.4 -3,-0.1 -4,-0.3 -4,-0.1 0.280 97.8 98.3 94.6 -13.7 -60.8 10.4 6.7 129 141 A S S + 0 0 6 -2,-0.4 3,-0.7 -67,-0.1 110,-0.1 0.317 51.8 87.4-126.2 0.5 -40.0 -19.0 1.6 142 154 A T T 3 + 0 0 28 1,-0.2 109,-0.1 -128,-0.1 4,-0.1 0.479 68.0 83.6 -85.8 3.9 -40.0 -22.8 1.3 143 155 A T T 3 S+ 0 0 83 2,-0.1 2,-0.3 6,-0.0 -1,-0.2 0.371 88.8 50.3 -90.8 2.9 -39.7 -22.7 -2.6 144 156 A A S < S- 0 0 23 -3,-0.7 -70,-0.0 1,-0.1 -3,-0.0 -0.950 91.1 -92.7-135.6 159.2 -35.8 -22.2 -2.7 145 157 A S > - 0 0 65 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.148 45.0-101.9 -60.4 165.2 -32.8 -23.9 -1.1 146 158 A A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.879 122.9 45.0 -55.2 -45.8 -31.4 -22.6 2.2 147 159 A R H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 112.8 48.0 -74.6 -40.1 -28.6 -20.8 0.4 148 160 A V H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.947 113.2 51.6 -61.0 -42.2 -30.7 -19.3 -2.4 149 161 A G H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.3 -2,-0.2 0.856 105.5 54.9 -58.7 -39.1 -33.0 -18.2 0.4 150 162 A G H X S+ 0 0 8 -4,-1.7 4,-1.3 1,-0.2 20,-0.3 0.877 107.0 49.3 -63.2 -40.3 -30.1 -16.7 2.2 151 163 A D H < S+ 0 0 34 -4,-1.7 4,-0.2 -3,-0.3 -2,-0.2 0.891 111.0 51.2 -67.9 -37.5 -29.2 -14.6 -0.8 152 164 A Y H >< S+ 0 0 53 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.949 108.6 49.7 -63.7 -48.6 -32.9 -13.5 -1.1 153 165 A L H >< S+ 0 0 39 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.765 92.8 77.0 -65.2 -23.5 -33.1 -12.4 2.5 154 166 A A G >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.3 -1,-0.3 0.655 71.4 83.6 -60.2 -13.6 -29.9 -10.5 2.0 155 167 A R G < S+ 0 0 14 -3,-2.2 353,-1.7 1,-0.2 -1,-0.3 0.634 83.2 62.2 -57.9 -16.3 -32.1 -7.9 0.3 156 168 A A G < S+ 0 0 5 -3,-2.3 261,-0.3 351,-0.1 -1,-0.2 0.633 100.0 64.8 -79.6 -23.3 -32.7 -6.7 3.9 157 169 A A S < S- 0 0 4 -3,-1.6 2,-1.1 -4,-0.2 351,-0.2 -0.218 110.9 -84.8 -88.0-179.2 -29.0 -5.8 4.3 158 170 A D > - 0 0 9 131,-0.2 4,-2.9 1,-0.2 3,-0.4 -0.829 53.6-162.3 -82.1 94.0 -27.0 -3.2 2.4 159 171 A Y H > S+ 0 0 45 -2,-1.1 4,-2.0 1,-0.3 5,-0.3 0.881 80.3 48.3 -60.1 -45.9 -26.4 -5.8 -0.3 160 172 A Q H 4 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.880 122.2 36.2 -56.2 -41.5 -23.4 -4.1 -2.0 161 173 A R H 4 S+ 0 0 85 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.809 129.4 25.3 -83.5 -33.5 -21.7 -3.6 1.3 162 174 A Q H >< S+ 0 0 9 -4,-2.9 3,-2.1 -8,-0.1 4,-0.4 0.609 89.0 88.9-117.8 -17.3 -22.6 -6.8 3.3 163 175 A R G >< S+ 0 0 49 -4,-2.0 3,-1.1 -5,-0.4 -3,-0.1 0.866 84.6 64.4 -54.9 -35.1 -23.5 -9.7 1.0 164 176 A Q G 3 S+ 0 0 166 -5,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.670 82.2 79.5 -64.1 -18.2 -19.8 -10.7 1.0 165 177 A L G < S- 0 0 36 -3,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.895 113.9 -36.5 -57.5 -41.3 -19.8 -11.5 4.7 166 178 A D < - 0 0 13 -3,-1.1 3,-0.3 -4,-0.4 -1,-0.2 -0.929 50.9-105.9-175.3 154.5 -21.5 -14.9 4.2 167 179 A D S S+ 0 0 70 1,-0.3 2,-1.2 -2,-0.3 3,-0.2 0.869 124.9 55.9 -58.6 -35.2 -24.0 -16.6 2.0 168 180 A F S > S+ 0 0 32 1,-0.2 4,-2.2 -3,-0.1 -1,-0.3 -0.625 78.3 166.7 -91.7 72.9 -26.2 -16.4 5.2 169 181 A T H > + 0 0 0 -2,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.913 66.3 47.3 -58.5 -51.6 -25.7 -12.6 5.3 170 182 A F H > S+ 0 0 25 -20,-0.3 4,-1.3 1,-0.3 3,-0.5 0.956 112.5 48.0 -68.3 -46.9 -28.4 -11.8 7.8 171 183 A P H >> S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 3,-0.6 0.909 109.1 56.0 -51.0 -43.0 -27.5 -14.4 10.3 172 184 A C H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.852 100.7 57.9 -62.9 -33.1 -23.9 -13.3 9.9 173 185 A L H 3X S+ 0 0 3 -4,-1.8 4,-1.3 -3,-0.5 -1,-0.3 0.846 110.1 43.6 -65.8 -31.6 -24.8 -9.8 10.9 174 186 A F H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 3,-0.7 0.925 110.7 45.4 -58.9 -46.0 -21.6 -8.5 22.9 182 194 A A H ><5S+ 0 0 39 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.908 109.0 56.8 -64.8 -42.2 -19.4 -11.3 24.3 183 195 A E H 3<5S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.703 111.8 41.7 -64.1 -20.5 -16.4 -9.0 24.2 184 196 A H T <<5S- 0 0 102 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.184 109.3-121.5-107.9 14.5 -18.2 -6.4 26.3 185 197 A N T < 5 + 0 0 128 -3,-1.7 -3,-0.2 2,-0.1 3,-0.1 0.780 66.4 141.2 49.7 35.7 -19.7 -9.0 28.7 186 198 A H S - 0 0 51 -2,-0.3 4,-1.8 -3,-0.1 5,-0.1 -0.719 25.8-109.3-120.3 166.3 -23.5 -14.7 27.0 189 201 A M H > S+ 0 0 43 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.686 120.8 59.3 -67.1 -18.5 -24.3 -17.6 24.7 190 202 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.892 103.4 51.1 -70.3 -40.7 -25.7 -19.4 27.7 191 203 A D H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.922 109.8 48.9 -58.1 -43.9 -28.2 -16.5 28.0 192 204 A T H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.879 107.7 55.1 -69.7 -33.5 -29.1 -16.9 24.3 193 205 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.854 104.3 55.4 -62.3 -37.2 -29.6 -20.6 24.8 194 206 A R H X S+ 0 0 96 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.862 104.1 52.9 -64.1 -36.5 -32.0 -19.8 27.6 195 207 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.958 111.0 47.2 -61.9 -48.5 -34.1 -17.6 25.2 196 208 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.903 107.6 55.1 -62.1 -41.5 -34.3 -20.6 22.8 197 209 A A H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.925 111.3 46.7 -56.4 -43.7 -35.3 -23.1 25.6 198 210 A K H X S+ 0 0 14 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.940 110.4 51.1 -63.3 -49.7 -38.1 -20.7 26.4 199 211 A A H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.922 113.5 44.4 -55.5 -48.1 -39.3 -20.2 22.8 200 212 A Y H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.902 111.5 52.4 -68.4 -37.4 -39.4 -24.0 22.1 201 213 A A H < S+ 0 0 49 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.931 114.2 44.6 -61.0 -42.3 -41.2 -24.8 25.5 202 214 A N H >< S+ 0 0 7 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.922 110.3 53.7 -65.3 -44.9 -43.8 -22.1 24.5 203 215 A G H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 6,-0.3 0.825 97.3 66.4 -58.2 -35.0 -44.1 -23.5 21.0 204 216 A N T 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.685 102.3 48.6 -63.1 -15.8 -44.8 -27.0 22.4 205 217 A K T < S+ 0 0 93 -3,-1.6 195,-0.3 -4,-0.4 194,-0.3 0.327 100.9 77.9-100.1 4.4 -48.0 -25.5 23.7 206 218 A N X - 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