==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-DEC-05 2C9H . COMPND 2 MOLECULE: MITOCHONDRIAL BETA-KETOACYL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BUNKOCZI,X.WU,C.SMEE,O.GILEADI,C.ARROWSMITH,A.EDWARDS,M.SU . 427 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 2 2 0 1 0 2 1 0 0 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 18 A L 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.8 68.2 5.5 -24.0 2 19 A Y + 0 0 100 1,-0.1 3,-0.1 3,-0.1 0, 0.0 0.665 360.0 40.0 -79.9 -25.9 71.4 4.5 -22.2 3 20 A F S S+ 0 0 206 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.760 112.4 53.1 -92.4 -31.6 69.8 6.1 -19.1 4 21 A Q - 0 0 74 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.888 61.5-177.3-125.3 101.6 66.1 5.1 -19.4 5 22 A S - 0 0 103 -2,-0.6 2,-0.4 -3,-0.1 -3,-0.1 -0.421 20.6-130.9 -85.1 164.6 64.9 1.5 -19.8 6 23 A M + 0 0 177 -2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.911 27.7 174.4-109.0 144.5 61.4 0.2 -20.2 7 24 A R - 0 0 175 -2,-0.4 2,-0.0 2,-0.0 186,-0.0 -0.980 37.7 -85.9-145.2 159.5 60.0 -2.6 -18.1 8 25 A L - 0 0 129 -2,-0.3 2,-0.4 185,-0.1 0, 0.0 -0.323 32.9-170.4 -61.9 130.4 56.6 -4.2 -17.8 9 26 A H - 0 0 139 185,-0.0 2,-0.2 -2,-0.0 184,-0.2 -0.994 13.7-152.5-114.7 122.0 54.2 -2.7 -15.3 10 27 A R - 0 0 50 182,-2.6 2,-0.2 -2,-0.4 184,-0.1 -0.593 22.6-107.5 -82.1 152.9 51.1 -4.9 -14.8 11 28 A R - 0 0 118 -2,-0.2 245,-2.7 180,-0.1 2,-0.4 -0.575 34.5-147.9 -79.7 153.5 47.7 -3.4 -13.8 12 29 A V E -AB 255 270A 0 258,-0.6 258,-2.6 243,-0.2 2,-0.3 -0.975 15.4-176.7-131.6 134.0 46.6 -4.0 -10.2 13 30 A V E -AB 254 269A 0 241,-3.2 241,-3.0 -2,-0.4 2,-0.5 -0.834 27.4-117.9-129.3 162.0 43.1 -4.5 -8.7 14 31 A I E +AB 253 268A 0 254,-2.8 253,-2.9 -2,-0.3 254,-0.8 -0.925 33.1 164.7-104.2 127.6 41.6 -5.0 -5.4 15 32 A T E + 0 0 0 237,-2.3 2,-0.3 -2,-0.5 250,-0.3 0.324 60.7 34.6-122.2 2.5 39.7 -8.3 -4.9 16 33 A G E -A 252 0A 0 236,-0.8 236,-2.2 85,-0.1 2,-0.4 -0.961 54.0-167.2-163.7 135.7 39.2 -8.6 -1.1 17 34 A I E -A 251 0A 0 -2,-0.3 2,-0.4 79,-0.3 10,-0.3 -0.996 5.3-175.3-132.6 133.2 38.6 -6.4 1.8 18 35 A G E -A 250 0A 0 232,-3.1 232,-2.8 -2,-0.4 2,-0.5 -0.989 8.0-169.8-132.5 126.5 38.8 -7.4 5.5 19 36 A L E +A 249 0A 0 -2,-0.4 7,-1.7 230,-0.2 2,-0.5 -0.951 23.1 170.5-131.8 122.8 38.0 -5.0 8.4 20 37 A V E +AC 248 25A 0 228,-3.0 228,-2.6 -2,-0.5 5,-0.2 -0.919 40.6 139.1-123.2 101.9 38.4 -5.1 12.2 21 38 A T E > S- C 0 24A 0 3,-2.0 3,-1.6 -2,-0.5 226,-0.1 -0.822 70.6 -93.4-140.7 168.6 37.4 -1.6 13.3 22 39 A P T 3 S+ 0 0 8 0, 0.0 37,-0.2 0, 0.0 3,-0.1 0.559 124.0 59.4 -62.4 -14.5 35.5 0.4 16.0 23 40 A L T 3 S- 0 0 6 1,-0.4 2,-0.2 35,-0.1 10,-0.1 0.540 123.1 -95.0 -84.4 -12.4 32.5 0.2 13.6 24 41 A G E < -C 21 0A 0 -3,-1.6 -3,-2.0 9,-0.0 -1,-0.4 -0.775 42.1 -63.8 126.0-178.9 32.6 -3.6 13.8 25 42 A V E S+C 20 0A 19 42,-1.2 -5,-0.2 -2,-0.2 42,-0.1 -0.918 86.7 57.3-110.4 136.6 34.0 -6.6 12.0 26 43 A G S > S- 0 0 22 -7,-1.7 4,-2.5 -2,-0.4 5,-0.2 0.236 73.9-113.8 112.0 130.6 33.0 -7.6 8.5 27 44 A T H > S+ 0 0 12 -10,-0.3 4,-2.1 2,-0.2 5,-0.1 0.895 108.3 37.6 -64.7 -53.9 33.1 -5.7 5.3 28 45 A H H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.846 118.3 52.5 -70.7 -30.3 29.5 -5.1 4.3 29 46 A L H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 110.9 45.1 -66.9 -45.4 28.4 -4.6 7.8 30 47 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.895 112.8 52.8 -65.3 -38.7 31.1 -1.9 8.5 31 48 A W H X S+ 0 0 20 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.910 109.5 48.7 -61.9 -41.7 30.2 -0.3 5.2 32 49 A D H X S+ 0 0 106 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 112.1 47.5 -65.0 -46.1 26.6 -0.1 6.2 33 50 A R H <>S+ 0 0 49 -4,-2.5 5,-2.5 2,-0.2 -2,-0.2 0.893 114.1 48.5 -58.8 -42.2 27.3 1.3 9.6 34 51 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.9 3,-0.2 -2,-0.2 0.960 113.9 43.8 -60.9 -55.7 29.7 3.9 8.0 35 52 A I H 3<5S+ 0 0 24 -4,-2.8 362,-0.8 1,-0.3 -1,-0.2 0.833 108.8 60.6 -58.0 -36.6 27.2 5.0 5.2 36 53 A G T 3<5S- 0 0 52 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.469 119.1-111.4 -70.9 -4.3 24.5 5.1 7.9 37 54 A G T < 5 + 0 0 29 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.759 63.4 153.3 79.1 24.0 26.4 7.7 9.8 38 55 A E < - 0 0 103 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.493 27.1-154.3 -82.0 158.7 27.3 5.6 12.8 39 56 A S - 0 0 55 -2,-0.2 311,-0.2 2,-0.1 312,-0.2 -0.950 19.7-156.5-133.2 153.1 30.4 6.1 15.0 40 57 A G + 0 0 9 310,-3.1 19,-0.7 -2,-0.3 2,-0.3 0.327 57.6 120.0-104.5 1.2 32.6 3.9 17.3 41 58 A I E +K 58 0B 16 308,-0.4 2,-0.3 309,-0.2 17,-0.3 -0.541 38.2 165.2 -74.0 129.3 33.8 6.7 19.5 42 59 A V E -K 57 0B 65 15,-3.0 15,-2.1 -2,-0.3 2,-0.3 -0.822 39.0 -79.7-133.2 172.5 32.9 6.1 23.1 43 60 A S E -K 56 0B 59 -2,-0.3 2,-0.5 13,-0.2 13,-0.3 -0.581 41.9-117.4 -71.4 138.0 33.7 7.4 26.6 44 61 A L - 0 0 23 11,-2.5 2,-0.4 -2,-0.3 -1,-0.1 -0.659 32.9-172.5 -70.0 121.6 36.8 6.2 28.3 45 62 A V + 0 0 122 -2,-0.5 2,-0.1 3,-0.0 3,-0.1 -0.956 37.3 89.6-114.1 143.7 35.8 4.3 31.5 46 63 A G S > S- 0 0 34 -2,-0.4 3,-1.5 1,-0.1 4,-0.1 -0.223 70.8-122.5 137.3 128.1 38.5 3.2 33.9 47 64 A E G > S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.715 109.4 72.5 -63.0 -20.5 40.2 4.8 36.9 48 65 A E G 3 S+ 0 0 114 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.654 95.4 50.6 -70.8 -15.6 43.4 4.2 34.9 49 66 A Y G X S+ 0 0 26 -3,-1.5 3,-1.1 1,-0.1 -1,-0.3 0.372 80.1 99.7 -99.4 3.2 42.5 7.0 32.5 50 67 A K T < S+ 0 0 88 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.754 77.5 55.6 -61.8 -29.0 41.8 9.6 35.3 51 68 A S T 3 S+ 0 0 116 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.677 93.1 82.2 -78.9 -20.2 45.2 11.4 34.9 52 69 A I S < S- 0 0 20 -3,-1.1 162,-0.1 2,-0.2 159,-0.0 -0.660 73.7-137.7 -97.4 138.9 44.8 12.1 31.2 53 70 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.612 83.5 86.6 -70.7 -11.0 42.9 15.1 29.8 54 71 A C + 0 0 2 1,-0.1 -2,-0.2 -5,-0.1 170,-0.2 -0.709 47.5 172.8 -88.1 142.5 41.4 12.9 27.0 55 72 A S + 0 0 37 170,-0.4 -11,-2.5 168,-0.3 2,-0.3 0.204 53.5 68.2-137.4 16.0 38.2 11.0 27.8 56 73 A V E +K 43 0B 0 167,-0.3 188,-0.4 -13,-0.3 2,-0.3 -0.950 46.9 158.4-135.3 154.6 37.1 9.5 24.5 57 74 A A E -K 42 0B 0 -15,-2.1 -15,-3.0 -2,-0.3 2,-0.6 -0.946 37.9-115.4-161.8 165.5 38.5 6.7 22.3 58 75 A A E -Kl 41 245B 0 186,-2.5 188,-0.8 -2,-0.3 2,-0.3 -0.949 34.3-172.3-116.4 107.3 37.3 4.3 19.6 59 76 A Y - 0 0 68 -19,-0.7 -38,-0.1 -2,-0.6 -2,-0.0 -0.752 30.8-113.5 -95.5 146.3 37.5 0.6 20.6 60 77 A V - 0 0 4 -2,-0.3 2,-0.2 -40,-0.1 8,-0.1 -0.681 43.6-116.3 -65.2 122.3 36.9 -2.5 18.4 61 78 A P - 0 0 38 0, 0.0 8,-2.9 0, 0.0 2,-0.3 -0.513 34.3-150.6 -72.4 134.9 33.8 -4.0 19.9 62 79 A R B +m 69 0C 105 6,-0.3 2,-0.3 -2,-0.2 8,-0.2 -0.843 41.5 67.2-112.3 140.4 34.6 -7.4 21.4 63 80 A G S S- 0 0 27 6,-1.7 5,-0.0 -2,-0.3 4,-0.0 -0.895 83.6 -75.6 146.3-174.6 32.3 -10.5 21.8 64 81 A S S S+ 0 0 110 -2,-0.3 3,-0.1 3,-0.1 6,-0.1 0.317 90.5 102.3-102.8 5.6 30.4 -13.1 19.9 65 82 A D S > S- 0 0 118 1,-0.2 3,-2.0 4,-0.1 -2,-0.1 -0.244 87.9 -51.9 -83.5 177.0 27.5 -10.9 18.8 66 83 A E T 3 S- 0 0 142 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.219 122.9 -2.4 -54.7 122.5 26.9 -9.3 15.4 67 84 A G T 3 S+ 0 0 12 1,-0.2 -42,-1.2 -3,-0.1 -1,-0.3 0.617 102.1 130.3 74.9 14.1 29.9 -7.3 14.0 68 85 A Q < - 0 0 68 -3,-2.0 2,-0.7 -44,-0.2 -6,-0.3 -0.647 61.1-112.3-101.7 158.8 31.9 -8.0 17.1 69 86 A F B -m 62 0C 3 -8,-2.9 -6,-1.7 -2,-0.2 2,-0.6 -0.810 28.1-178.7 -95.6 116.8 35.5 -9.2 17.3 70 87 A N > - 0 0 42 -2,-0.7 3,-2.3 -8,-0.2 4,-0.4 -0.910 12.2-161.6-112.8 101.5 36.0 -12.7 18.8 71 88 A E G >> S+ 0 0 41 -2,-0.6 4,-2.1 1,-0.3 3,-1.7 0.783 86.6 63.9 -48.4 -35.7 39.7 -13.4 18.8 72 89 A Q G 34 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.569 86.1 70.4 -79.6 -9.1 39.1 -17.1 19.2 73 90 A N G <4 S+ 0 0 109 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.704 118.2 21.4 -67.4 -22.8 37.4 -17.4 15.8 74 91 A F T <4 S+ 0 0 37 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.671 125.4 35.9-118.4 -28.7 40.9 -16.8 14.3 75 92 A V S < S- 0 0 8 -4,-2.1 -1,-0.3 3,-0.0 2,-0.1 -0.980 71.8-118.8-137.5 147.0 43.6 -17.7 16.9 76 93 A S > - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 -3,-0.1 -0.361 33.1-108.3 -80.2 161.6 44.0 -20.3 19.6 77 94 A K T 4 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.767 121.7 50.7 -61.2 -25.9 44.5 -19.6 23.3 78 95 A S T >> S+ 0 0 89 2,-0.2 3,-1.5 1,-0.1 4,-0.6 0.910 106.3 51.6 -76.8 -48.2 48.1 -20.6 22.9 79 96 A D H >> S+ 0 0 68 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.889 100.0 65.9 -52.7 -42.4 48.9 -18.4 19.9 80 97 A I H 3< S+ 0 0 43 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.757 93.4 61.6 -54.6 -26.4 47.5 -15.5 21.9 81 98 A K H <4 S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.824 108.8 39.8 -68.2 -34.5 50.4 -15.9 24.2 82 99 A S H << S+ 0 0 20 -3,-1.6 2,-0.4 -4,-0.6 -1,-0.2 0.406 108.2 75.2 -96.4 0.9 53.0 -15.2 21.5 83 100 A M < - 0 0 11 -4,-0.7 67,-0.1 -3,-0.4 68,-0.0 -0.934 69.3-131.5-123.3 142.8 51.1 -12.4 19.7 84 101 A S > - 0 0 5 -2,-0.4 4,-1.9 65,-0.2 5,-0.2 -0.251 36.6-103.5 -73.9 167.5 50.4 -8.8 20.4 85 102 A S H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 121.4 51.5 -62.1 -47.7 46.9 -7.3 20.2 86 103 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.820 107.8 53.6 -58.5 -32.1 47.6 -5.6 16.8 87 104 A T H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 107.9 49.3 -70.0 -41.1 48.9 -8.9 15.4 88 105 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 111.7 48.6 -61.7 -45.4 45.7 -10.8 16.4 89 106 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.870 111.1 51.1 -62.2 -37.9 43.6 -8.0 14.7 90 107 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.877 108.1 51.3 -65.1 -40.0 45.8 -8.3 11.6 91 108 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.942 112.4 47.5 -63.2 -44.9 45.3 -12.1 11.5 92 109 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 114.0 45.4 -57.7 -53.1 41.5 -11.5 11.7 93 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 157,-0.2 0.868 112.6 52.5 -61.9 -37.8 41.4 -8.8 9.0 94 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.911 108.3 48.5 -63.9 -48.3 43.7 -10.9 6.8 95 112 A E H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.893 113.6 48.4 -57.7 -40.9 41.5 -14.0 7.0 96 113 A L H X S+ 0 0 35 -4,-2.0 4,-2.1 2,-0.2 -79,-0.3 0.868 110.8 50.3 -70.0 -37.8 38.4 -11.9 6.2 97 114 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 155,-0.2 0.901 112.4 46.1 -65.0 -44.2 40.2 -10.2 3.2 98 115 A M H X>S+ 0 0 5 -4,-2.4 5,-1.9 2,-0.2 4,-1.4 0.892 111.9 51.0 -68.4 -40.3 41.3 -13.5 1.7 99 116 A K H <5S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.918 109.9 52.4 -57.2 -41.9 37.7 -15.1 2.2 100 117 A D H <5S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 115.5 39.1 -69.0 -24.8 36.4 -11.9 0.5 101 118 A S H <5S- 0 0 7 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.532 104.2-128.3 -94.6 -16.5 38.8 -12.5 -2.6 102 119 A G T <5 + 0 0 39 -4,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.752 59.7 145.8 68.8 29.0 38.4 -16.2 -2.6 103 120 A W < + 0 0 20 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.835 12.7 156.0-109.3 108.8 42.1 -16.5 -2.6 104 121 A H - 0 0 108 -2,-0.7 7,-0.1 -3,-0.1 6,-0.1 -0.652 32.1-147.9-133.2 72.7 43.5 -19.5 -0.6 105 122 A P + 0 0 6 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 -0.161 33.5 154.3 -51.2 118.6 47.0 -20.4 -2.0 106 123 A Q + 0 0 158 0, 0.0 2,-0.2 0, 0.0 59,-0.0 0.721 49.6 75.1-115.0 -38.5 47.7 -24.2 -1.7 107 124 A S S > S- 0 0 53 1,-0.1 4,-2.5 4,-0.0 3,-0.5 -0.475 85.2-119.1 -75.8 145.5 50.2 -24.9 -4.5 108 125 A E H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 114.7 56.2 -45.5 -43.0 53.8 -23.9 -4.1 109 126 A A H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 110.6 41.6 -63.0 -39.0 53.4 -21.6 -7.2 110 127 A D H 4 S+ 0 0 60 -3,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.803 113.2 54.4 -79.0 -28.2 50.5 -19.7 -5.7 111 128 A Q H >< S+ 0 0 18 -4,-2.5 56,-2.8 1,-0.2 3,-1.0 0.943 110.6 45.0 -67.9 -48.0 52.1 -19.5 -2.3 112 129 A V H 3< S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.810 109.2 58.0 -59.9 -35.3 55.3 -18.0 -3.8 113 130 A A T 3< S+ 0 0 15 -4,-1.5 84,-2.4 -5,-0.2 85,-2.1 0.575 98.8 71.9 -70.0 -14.4 53.1 -15.6 -5.9 114 131 A T E < +d 198 0A 0 -3,-1.0 54,-2.6 -4,-0.5 53,-0.3 -0.937 59.9 172.8-115.0 123.3 51.5 -14.1 -2.8 115 132 A G E -d 199 0A 0 83,-2.2 85,-2.8 -2,-0.5 2,-0.4 -0.484 25.0-123.5-116.3-177.6 53.2 -11.9 -0.3 116 133 A V E +de 200 170A 0 53,-2.4 55,-2.6 83,-0.2 2,-0.3 -0.999 18.6 178.6-132.7 129.4 52.2 -9.8 2.7 117 134 A A E +de 201 171A 2 83,-2.4 85,-2.6 -2,-0.4 2,-0.5 -0.795 23.6 153.4-127.5 89.7 52.7 -6.1 3.3 118 135 A I E -d 202 0A 0 53,-1.1 39,-0.5 -2,-0.3 85,-0.2 -0.982 20.9-166.8-124.7 118.5 51.2 -5.3 6.7 119 136 A G E -d 203 0A 1 83,-2.3 85,-1.9 -2,-0.5 2,-0.3 -0.645 9.8-154.4-101.6 166.7 52.5 -2.3 8.7 120 137 A M E -d 204 0A 2 53,-1.4 56,-0.2 -2,-0.2 85,-0.2 -0.994 7.4-153.3-141.2 136.6 52.1 -1.2 12.3 121 138 A G S S+ 0 0 18 83,-0.8 55,-0.4 -2,-0.3 2,-0.3 0.852 79.9 8.3 -83.8 -39.7 52.4 2.4 13.5 122 139 A M S S- 0 0 48 54,-0.1 84,-0.4 53,-0.1 -1,-0.3 -0.990 74.2-122.1-141.8 137.8 53.5 1.8 17.1 123 140 A I - 0 0 49 -2,-0.3 2,-0.7 -3,-0.1 28,-0.1 -0.272 51.9 -83.9 -67.5 163.5 54.5 -1.4 19.0 124 141 A P >> - 0 0 5 0, 0.0 3,-1.1 0, 0.0 4,-1.0 -0.643 39.1-158.4 -80.5 116.2 52.4 -2.1 22.0 125 142 A L H 3> S+ 0 0 45 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.766 87.1 60.6 -65.4 -29.2 53.9 -0.1 24.8 126 143 A E H 3> S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.746 98.2 57.6 -74.6 -24.8 52.4 -2.3 27.6 127 144 A V H <> S+ 0 0 23 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.899 111.8 43.8 -66.9 -38.6 54.3 -5.3 26.3 128 145 A V H X S+ 0 0 54 -4,-1.0 4,-2.9 2,-0.2 -2,-0.2 0.962 116.5 43.2 -70.7 -53.4 57.5 -3.3 26.8 129 146 A S H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.879 114.1 51.1 -68.3 -35.5 56.8 -1.8 30.2 130 147 A E H X S+ 0 0 47 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.863 114.0 44.5 -66.6 -37.8 55.3 -5.1 31.6 131 148 A T H X S+ 0 0 17 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.909 111.5 52.9 -70.4 -41.0 58.5 -7.0 30.5 132 149 A A H X S+ 0 0 54 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.923 111.1 48.5 -58.7 -39.1 60.7 -4.2 31.8 133 150 A L H X S+ 0 0 109 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.937 112.3 46.9 -66.0 -46.6 58.9 -4.6 35.1 134 151 A N H X>S+ 0 0 73 -4,-2.1 4,-2.6 2,-0.2 5,-0.7 0.841 114.8 47.4 -62.7 -37.2 59.2 -8.4 35.2 135 152 A F H X5S+ 0 0 112 -4,-2.6 4,-1.3 3,-0.2 -2,-0.2 0.945 114.2 45.2 -71.2 -48.4 62.9 -8.1 34.3 136 153 A Q H <5S+ 0 0 84 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.865 124.5 34.9 -60.8 -36.5 63.7 -5.4 36.9 137 154 A T H <5S+ 0 0 109 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.893 135.6 15.0 -91.4 -44.4 61.7 -7.2 39.6 138 155 A K H <5S- 0 0 65 -4,-2.6 3,-0.3 -5,-0.3 -3,-0.2 0.488 102.7-128.8-115.3 -8.9 62.2 -11.0 39.0 139 156 A G ><< - 0 0 26 -4,-1.3 3,-1.7 -5,-0.7 -1,-0.2 -0.269 45.5 -31.3 96.8-176.2 65.2 -11.0 36.6 140 157 A Y G > S+ 0 0 176 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.779 125.7 58.3 -50.9 -38.8 66.2 -12.4 33.2 141 158 A N G 3 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.675 96.4 61.9 -75.8 -16.4 64.2 -15.7 33.5 142 159 A K G < S+ 0 0 65 -3,-1.7 2,-0.5 -8,-0.2 -1,-0.3 0.300 81.2 101.5 -90.8 10.5 60.9 -13.8 33.9 143 160 A V S < S- 0 0 41 -3,-1.3 -12,-0.0 -4,-0.1 -11,-0.0 -0.814 80.4-118.8 -88.5 131.3 61.3 -12.3 30.4 144 161 A S > - 0 0 50 -2,-0.5 3,-1.5 1,-0.1 4,-0.3 -0.419 3.4-136.4 -71.2 144.3 59.2 -14.2 27.9 145 162 A P T 3 S+ 0 0 112 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.715 109.4 56.5 -69.0 -18.0 60.9 -15.9 25.0 146 163 A F T 3> S+ 0 0 100 1,-0.2 4,-1.3 2,-0.1 5,-0.1 0.239 78.3 101.1 -92.3 11.8 58.2 -14.4 22.8 147 164 A F H <> S+ 0 0 43 -3,-1.5 4,-1.4 2,-0.2 3,-0.4 0.959 84.0 41.8 -63.8 -50.4 59.1 -10.9 24.0 148 165 A V H >> S+ 0 0 82 -4,-0.3 4,-1.3 -3,-0.3 3,-0.8 0.964 115.6 49.0 -64.6 -50.8 61.0 -10.0 20.8 149 166 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -65,-0.2 0.693 111.8 52.5 -56.6 -22.6 58.4 -11.6 18.4 150 167 A K H 3< S+ 0 0 50 -4,-1.3 -2,-0.2 -3,-0.4 -66,-0.2 0.763 113.2 40.8 -85.8 -24.9 55.7 -9.8 20.3 151 168 A I H << S+ 0 0 27 -4,-1.4 2,-0.3 -3,-0.8 -3,-0.1 0.520 86.3 103.9-104.8 -5.3 57.2 -6.3 20.0 152 169 A L >< - 0 0 79 -4,-1.3 3,-1.7 1,-0.1 4,-0.3 -0.622 67.4-136.2 -82.1 135.7 58.6 -6.2 16.4 153 170 A V T > S+ 0 0 31 -2,-0.3 3,-0.7 1,-0.3 4,-0.4 0.834 101.5 55.4 -56.7 -37.0 56.6 -4.2 13.9 154 171 A N T 3> S+ 0 0 72 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.396 80.2 92.9 -78.8 4.2 56.9 -6.8 11.2 155 172 A M H <> S+ 0 0 33 -3,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.833 81.0 54.3 -76.3 -29.2 55.5 -9.6 13.3 156 173 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.953 112.0 45.6 -59.9 -48.8 51.9 -9.2 12.1 157 174 A A H > S+ 0 0 0 -39,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.931 115.3 49.0 -58.3 -44.4 53.1 -9.5 8.5 158 175 A G H X S+ 0 0 13 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.882 111.3 47.1 -64.6 -42.7 55.2 -12.5 9.6 159 176 A Q H X S+ 0 0 32 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.891 111.1 50.9 -68.5 -37.9 52.4 -14.3 11.4 160 177 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.918 110.9 50.9 -66.2 -40.7 49.9 -13.8 8.5 161 178 A S H X>S+ 0 0 21 -4,-2.2 5,-2.2 -5,-0.2 4,-0.9 0.897 113.7 42.6 -56.7 -50.2 52.6 -15.2 6.1 162 179 A I H <5S+ 0 0 102 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.898 113.3 52.8 -67.6 -41.0 53.1 -18.3 8.3 163 180 A R H <5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 123.9 25.9 -65.9 -38.9 49.4 -18.9 8.9 164 181 A Y H <5S- 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.320 107.0-116.0-106.6 6.4 48.4 -18.8 5.3 165 182 A K T <5 + 0 0 102 -4,-0.9 2,-0.6 -3,-0.3 -3,-0.2 0.945 49.1 170.7 57.0 52.7 51.7 -20.0 3.7 166 183 A L < + 0 0 2 -5,-2.2 -1,-0.2 -6,-0.2 -54,-0.2 -0.861 7.4 172.6 -96.8 116.9 52.4 -16.7 1.8 167 184 A K + 0 0 103 -56,-2.8 -55,-0.2 -2,-0.6 -52,-0.2 0.364 43.1 94.4-113.7 3.0 55.9 -16.8 0.4 168 185 A G S S- 0 0 15 -54,-2.6 -52,-0.2 -57,-0.7 -55,-0.1 0.078 92.8 -24.4 -75.1-164.3 56.2 -13.7 -1.7 169 186 A P - 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