==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-11 3S5H . COMPND 2 MOLECULE: FALCILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR E.MORGUNOVA,M.PONPUAK,E.ISTVAN,A.POPOV,D.GOLDBERG,T.ENEQVIST . 1078 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 69 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 5 0 1 4 3 4 2 5 2 5 1 4 2 0 1 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 2 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 . 6 1 0 1 3 5 3 2 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 3 0 1 2 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 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 58 A P > 0 0 92 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 144.2 35.4 62.4 3.9 2 59 A E G > + 0 0 87 1,-0.2 3,-1.3 2,-0.1 4,-0.3 0.848 360.0 61.8 -61.9 -41.6 35.5 66.0 2.5 3 60 A W G > S+ 0 0 38 1,-0.3 3,-0.6 2,-0.1 4,-0.4 0.704 83.4 82.0 -63.2 -23.0 31.8 66.6 1.8 4 61 A I G X S+ 0 0 23 -3,-1.0 3,-1.3 1,-0.2 4,-0.4 0.824 81.5 64.0 -48.2 -39.3 30.8 66.2 5.5 5 62 A H G X S+ 0 0 145 -3,-1.3 3,-1.7 -4,-0.3 -1,-0.2 0.864 93.1 57.0 -61.7 -42.9 31.8 69.8 6.4 6 63 A E G < S+ 0 0 102 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.616 99.8 62.8 -63.2 -15.1 29.2 71.6 4.2 7 64 A K G < S+ 0 0 6 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.645 103.2 48.3 -88.8 -12.9 26.5 69.7 6.0 8 65 A S S < S+ 0 0 9 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.360 75.3 165.9-122.2 54.7 27.3 71.2 9.5 9 66 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.275 40.6-108.2 -68.5 152.5 27.6 75.0 8.9 10 67 A K - 0 0 193 2,-0.0 2,-0.4 5,-0.0 5,-0.1 -0.520 32.2-166.7 -74.3 147.1 27.7 77.4 11.9 11 68 A H > - 0 0 17 3,-0.4 3,-2.3 -2,-0.2 5,-0.0 -0.972 21.0-137.8-137.9 125.8 24.6 79.5 12.3 12 69 A N T 3 S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.682 101.3 54.2 -59.5 -22.4 24.6 82.4 14.7 13 70 A S T 3 S+ 0 0 21 22,-0.1 22,-2.7 21,-0.0 23,-0.4 0.525 109.3 52.3 -88.0 -5.6 21.1 81.7 16.2 14 71 A Y E < -A 34 0A 9 -3,-2.3 2,-0.5 20,-0.3 -3,-0.4 -0.917 66.5-138.8-128.3 157.9 22.0 78.1 17.2 15 72 A D E -A 33 0A 78 18,-2.5 18,-3.3 -2,-0.3 2,-0.7 -0.956 25.5-129.6-107.5 129.8 24.6 76.0 19.1 16 73 A I E +A 32 0A 57 -2,-0.5 16,-0.2 16,-0.2 3,-0.1 -0.716 31.3 173.3 -72.2 117.6 25.7 72.8 17.5 17 74 A I E + 0 0 85 14,-2.5 2,-0.3 -2,-0.7 -1,-0.1 0.512 64.7 20.1-105.2 -3.9 25.4 70.2 20.3 18 75 A E E +A 31 0A 65 13,-0.9 13,-2.7 2,-0.0 2,-0.3 -0.944 55.9 177.5-164.4 134.3 26.1 67.0 18.4 19 76 A K E +A 30 0A 130 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.873 19.7 156.1-148.5 111.3 27.9 66.3 15.1 20 77 A R E -A 29 0A 71 9,-2.6 9,-2.1 -2,-0.3 2,-0.4 -0.839 29.2-146.9-133.2 163.2 28.4 62.8 13.9 21 78 A Y E -A 28 0A 74 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.983 9.3-151.7-136.4 128.6 29.0 60.8 10.8 22 79 A N E > -A 27 0A 3 5,-3.2 5,-2.1 -2,-0.4 4,-0.3 -0.890 3.9-166.5-104.1 120.6 27.7 57.3 10.2 23 80 A E T > 5S+ 0 0 120 -2,-0.6 3,-1.2 3,-0.2 -1,-0.2 0.915 82.7 60.5 -66.2 -49.5 29.8 55.3 7.8 24 81 A E T 3 5S+ 0 0 48 1,-0.3 -1,-0.2 442,-0.2 443,-0.1 0.841 120.3 24.9 -54.5 -39.5 27.4 52.5 7.2 25 82 A F T 3 5S- 0 0 5 2,-0.1 -1,-0.3 441,-0.1 -2,-0.2 0.293 101.8-125.1-109.6 9.6 24.7 54.8 5.7 26 83 A K T < 5 + 0 0 52 -3,-1.2 21,-0.5 -4,-0.3 2,-0.4 0.913 64.0 144.3 48.4 47.5 27.1 57.6 4.6 27 84 A M E < -A 22 0A 4 -5,-2.1 -5,-3.2 19,-0.1 2,-0.3 -0.947 47.0-141.9-124.7 136.8 25.1 60.1 6.6 28 85 A T E -AB 21 45A 2 17,-1.8 17,-1.7 -2,-0.4 2,-0.4 -0.708 11.2-163.3 -90.1 149.2 25.8 63.2 8.7 29 86 A Y E +AB 20 44A 2 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.956 14.7 171.1-133.5 110.0 23.9 63.8 11.9 30 87 A T E -AB 19 43A 0 13,-2.3 13,-2.8 -2,-0.4 2,-0.6 -0.980 17.9-155.8-128.3 124.7 24.1 67.4 13.2 31 88 A V E -AB 18 42A 1 -13,-2.7 -14,-2.5 -2,-0.4 -13,-0.9 -0.886 8.1-168.5-107.4 119.4 22.0 68.7 16.1 32 89 A Y E -AB 16 41A 0 9,-3.0 9,-2.7 -2,-0.6 2,-0.6 -0.917 5.9-157.9-102.7 124.9 21.4 72.4 16.3 33 90 A Q E -AB 15 40A 50 -18,-3.3 -18,-2.5 -2,-0.5 7,-0.2 -0.898 22.7-123.4-105.2 119.1 19.9 73.8 19.5 34 91 A H E > -A 14 0A 7 5,-2.9 4,-1.8 -2,-0.6 -20,-0.3 -0.378 17.5-140.9 -60.5 127.4 18.2 77.2 19.1 35 92 A K T 4 S+ 0 0 93 -22,-2.7 -1,-0.1 1,-0.2 -21,-0.1 0.895 94.1 30.0 -60.8 -43.7 19.8 79.6 21.5 36 93 A K T 4 S+ 0 0 184 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.897 133.2 27.6 -85.2 -42.0 16.7 81.5 22.6 37 94 A A T 4 S- 0 0 1 2,-0.1 -2,-0.2 204,-0.1 -1,-0.1 0.619 89.2-137.9-100.5 -17.6 13.9 78.9 22.3 38 95 A K < + 0 0 89 -4,-1.8 -3,-0.1 1,-0.2 204,-0.1 0.327 48.4 151.1 71.8 -1.9 16.0 75.7 22.8 39 96 A T - 0 0 1 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.317 40.5-133.6 -52.3 140.8 14.2 73.9 20.0 40 97 A Q E -Bc 33 245A 42 204,-1.4 206,-2.7 -7,-0.2 2,-0.6 -0.838 13.8-161.3-107.4 132.2 16.4 71.2 18.4 41 98 A V E -Bc 32 246A 0 -9,-2.7 -9,-3.0 -2,-0.4 2,-0.8 -0.965 8.3-160.2-107.6 121.3 16.8 70.8 14.6 42 99 A I E -Bc 31 247A 0 204,-2.7 206,-2.2 -2,-0.6 2,-0.5 -0.889 11.2-163.4-106.2 108.0 18.3 67.4 13.9 43 100 A S E -Bc 30 248A 4 -13,-2.8 -13,-2.3 -2,-0.8 2,-0.6 -0.812 7.9-164.4-103.7 124.9 19.7 67.6 10.4 44 101 A L E -Bc 29 249A 1 204,-3.3 206,-1.7 -2,-0.5 2,-0.3 -0.936 13.0-163.3-108.3 120.2 20.5 64.4 8.4 45 102 A G E -Bc 28 250A 2 -17,-1.7 -17,-1.8 -2,-0.6 2,-0.3 -0.800 7.6-174.1-108.8 150.1 22.8 65.0 5.4 46 103 A T - 0 0 5 204,-0.9 -19,-0.1 -2,-0.3 -20,-0.1 -0.938 23.0-162.4-136.7 156.9 23.4 62.8 2.5 47 104 A N + 0 0 71 -21,-0.5 -20,-0.1 -2,-0.3 204,-0.1 0.057 53.5 122.9-123.4 16.1 25.8 62.9 -0.5 48 105 A D > - 0 0 19 1,-0.2 3,-2.0 -22,-0.1 -2,-0.1 -0.722 56.6-148.2 -82.4 116.0 23.8 60.3 -2.6 49 106 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 202,-0.1 0.680 94.2 62.0 -67.4 -11.7 23.0 62.1 -5.8 50 107 A L T 3 S+ 0 0 62 1,-0.1 2,-1.5 2,-0.1 3,-0.2 0.471 78.9 92.7 -88.0 -1.7 19.8 60.1 -6.2 51 108 A D < + 0 0 11 -3,-2.0 200,-0.3 1,-0.2 -1,-0.1 -0.618 43.3 145.1 -84.6 77.5 18.5 61.6 -2.9 52 109 A V + 0 0 77 -2,-1.5 2,-0.2 198,-0.1 -1,-0.2 0.445 40.8 92.8 -98.5 -0.6 16.7 64.5 -4.5 53 110 A E - 0 0 21 -3,-0.2 2,-0.4 64,-0.0 198,-0.2 -0.591 61.6-150.6 -88.8 149.3 13.7 64.7 -2.1 54 111 A Q E +D 118 0A 14 64,-2.1 64,-2.5 -2,-0.2 2,-0.3 -0.972 18.5 179.6-115.9 143.5 13.7 66.9 1.0 55 112 A A E -DE 117 249A 6 194,-2.0 194,-2.7 -2,-0.4 2,-0.3 -0.963 11.2-171.4-138.2 152.7 11.8 65.9 4.1 56 113 A F E -DE 116 248A 5 60,-2.3 60,-1.7 -2,-0.3 2,-0.3 -0.951 3.4-165.4-136.0 161.1 11.1 67.3 7.6 57 114 A A E -DE 115 247A 0 190,-1.7 190,-3.0 -2,-0.3 2,-0.5 -0.931 13.8-147.2-146.4 132.9 9.4 65.8 10.7 58 115 A F E -DE 114 246A 0 56,-2.6 56,-2.3 -2,-0.3 2,-0.5 -0.857 20.9-163.6 -94.1 124.9 8.2 67.5 13.9 59 116 A Y E -DE 113 245A 8 186,-2.8 186,-2.3 -2,-0.5 2,-0.5 -0.953 9.0-178.6-118.0 118.8 8.6 65.1 16.8 60 117 A V E -D 112 0A 1 52,-2.8 52,-2.6 -2,-0.5 2,-0.4 -0.976 24.7-135.2-120.8 120.8 6.7 65.8 20.1 61 118 A K E +D 111 0A 32 -2,-0.5 50,-0.3 182,-0.3 2,-0.2 -0.619 30.3 176.2 -76.7 131.7 7.1 63.6 23.1 62 119 A T - 0 0 0 48,-1.5 49,-0.2 -2,-0.4 2,-0.1 -0.615 8.8-172.7-146.8 73.7 3.5 63.0 24.4 63 120 A L - 0 0 6 47,-0.2 2,-0.3 -2,-0.2 47,-0.1 -0.436 14.7-150.2 -67.6 138.7 3.1 60.6 27.4 64 121 A T - 0 0 6 45,-0.3 150,-0.2 147,-0.2 152,-0.1 -0.813 20.3-170.8-111.2 159.6 -0.6 59.8 28.3 65 122 A H S S+ 0 0 106 -2,-0.3 2,-0.3 151,-0.0 -1,-0.1 0.093 72.1 25.4-135.1 21.5 -2.1 58.9 31.7 66 123 A S S S- 0 0 31 145,-0.1 3,-0.3 149,-0.0 152,-0.1 -0.926 83.8 -99.6-164.4 179.9 -5.6 57.8 30.6 67 124 A G S S+ 0 0 1 -2,-0.3 152,-2.9 1,-0.2 156,-0.3 0.080 82.8 112.2 -98.2 25.3 -7.5 56.5 27.7 68 125 A K S S- 0 0 40 150,-0.2 -1,-0.2 154,-0.2 158,-0.1 0.604 75.1-133.4 -80.2 -12.2 -8.9 59.9 26.7 69 126 A G >> + 0 0 2 146,-0.4 4,-2.4 -3,-0.3 3,-0.6 0.665 47.1 155.3 74.2 24.4 -6.9 60.0 23.5 70 127 A I H 3> S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.868 70.5 47.7 -55.2 -48.2 -5.6 63.6 23.8 71 128 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.836 112.6 50.1 -67.4 -25.6 -2.5 63.2 21.6 72 129 A H H <> S+ 0 0 12 144,-0.9 4,-1.8 -3,-0.6 -2,-0.2 0.884 109.1 50.8 -75.3 -39.8 -4.6 61.5 18.9 73 130 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 112.6 47.8 -65.5 -34.5 -7.2 64.3 18.9 74 131 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.933 104.9 58.1 -67.5 -46.1 -4.3 66.9 18.7 75 132 A E H < S+ 0 0 25 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.906 115.3 39.0 -51.8 -39.1 -2.7 65.0 15.8 76 133 A H H >< S+ 0 0 38 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.943 119.4 42.9 -75.0 -45.1 -6.0 65.4 13.9 77 134 A S H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 63,-0.3 0.729 97.4 67.4 -86.8 -22.4 -7.0 68.9 14.9 78 135 A V T 3< S+ 0 0 0 -4,-2.6 61,-0.3 1,-0.3 -1,-0.2 0.801 97.0 58.6 -68.2 -21.7 -3.7 70.9 14.7 79 136 A L T < S+ 0 0 16 -3,-0.6 12,-1.8 -4,-0.4 2,-0.5 0.457 84.5 85.1 -87.1 -1.7 -3.7 70.5 10.9 80 137 A S S < S- 0 0 11 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 -0.326 109.0 -48.2 -93.7 46.2 -7.1 72.2 10.6 81 138 A G - 0 0 0 -2,-0.5 58,-2.9 -3,-0.2 59,-0.4 0.027 55.1-153.7 112.4 152.2 -5.8 75.7 10.6 82 139 A S B > -GH 85 138B 0 3,-1.9 3,-0.5 56,-0.3 52,-0.1 -0.903 39.3 -84.6-155.9 176.6 -3.5 78.0 12.4 83 140 A K T 3 S+ 0 0 134 54,-1.9 3,-0.3 50,-0.4 51,-0.1 0.868 126.6 33.2 -58.4 -41.6 -2.8 81.6 13.3 84 141 A N T 3 S+ 0 0 71 1,-0.2 -1,-0.3 53,-0.1 2,-0.2 0.525 126.8 41.0 -94.3 -10.1 -0.9 82.4 10.1 85 142 A Y B < S-G 82 0B 52 -3,-0.5 2,-2.1 45,-0.1 -3,-1.9 -0.670 74.7-177.3-133.6 77.6 -2.9 80.1 7.8 86 143 A N + 0 0 93 -3,-0.3 2,-0.3 -5,-0.2 -3,-0.1 -0.419 30.5 131.6 -86.7 71.5 -6.4 80.6 9.1 87 144 A Y > - 0 0 8 -2,-2.1 3,-0.6 1,-0.1 52,-0.1 -0.824 65.5-122.4-118.1 153.3 -8.3 78.1 6.9 88 145 A K T 3 S+ 0 0 62 -2,-0.3 2,-0.1 1,-0.3 -1,-0.1 0.844 109.5 18.3 -62.4 -31.1 -10.8 75.5 7.8 89 146 A N T 3> + 0 0 38 1,-0.1 4,-1.5 -9,-0.1 -1,-0.3 -0.531 64.6 164.1-145.1 73.4 -8.6 72.8 6.3 90 147 A S H <> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.2 3,-0.4 0.909 83.2 50.1 -57.0 -48.9 -5.0 73.8 5.8 91 148 A I H > S+ 0 0 40 -12,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.850 106.0 57.3 -59.0 -36.4 -3.8 70.2 5.3 92 149 A G H > S+ 0 0 14 -13,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 103.8 53.2 -62.6 -35.4 -6.5 69.6 2.7 93 150 A L H X S+ 0 0 13 -4,-1.5 4,-0.7 -3,-0.4 -1,-0.2 0.835 109.0 48.7 -71.1 -34.3 -5.2 72.5 0.7 94 151 A L H >< S+ 0 0 3 -4,-1.5 3,-0.8 1,-0.2 4,-0.5 0.925 111.5 49.9 -64.5 -44.1 -1.7 71.0 0.7 95 152 A E H 3< S+ 0 0 80 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.857 110.3 49.8 -68.0 -32.3 -3.1 67.6 -0.3 96 153 A K H 3< S+ 0 0 30 -4,-2.0 896,-0.4 1,-0.2 -1,-0.2 0.603 125.5 18.1 -86.3 -5.6 -5.1 69.0 -3.2 97 154 A G S << S+ 0 0 6 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.048 91.6 92.7-161.9 53.5 -2.3 71.1 -4.8 98 155 A T - 0 0 10 -4,-0.5 897,-0.2 -3,-0.3 26,-0.0 -0.841 69.3-117.5-132.6 168.1 1.4 70.4 -4.0 99 156 A L + 0 0 20 -2,-0.3 20,-1.2 21,-0.1 21,-0.2 -0.176 61.6 157.5 -86.1 32.3 4.4 68.4 -5.3 100 157 A H E -F 118 0A 41 -6,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.331 40.2-163.0 -63.1 148.4 4.4 66.5 -2.0 101 158 A T E S- 0 0 40 16,-2.1 2,-0.3 1,-0.4 17,-0.2 0.730 81.4 -6.3 -90.1 -29.4 6.0 63.1 -1.7 102 159 A H E -F 117 0A 17 15,-0.8 15,-1.8 2,-0.0 -1,-0.4 -0.961 51.5-170.3-165.8 147.8 4.1 62.4 1.6 103 160 A L E +F 116 0A 18 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.854 37.0 145.0-145.8 101.8 1.9 64.4 4.0 104 161 A N E -F 115 0A 59 11,-2.7 11,-2.6 -2,-0.3 2,-0.3 -0.898 33.4-164.8-145.7 161.5 1.4 62.4 7.2 105 162 A A E -F 114 0A 17 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.971 13.9-169.1-149.6 140.5 0.9 62.5 10.9 106 163 A Y E -F 113 0A 80 7,-2.4 7,-2.6 -2,-0.3 2,-0.6 -1.000 13.8-153.9-138.3 136.5 1.2 59.6 13.4 107 164 A T E -F 112 0A 31 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.954 18.8-178.9-110.1 116.7 0.3 59.2 17.1 108 165 A F - 0 0 56 3,-2.9 3,-0.3 -2,-0.6 -46,-0.0 -0.436 47.9 -87.0 -97.6-178.5 2.4 56.5 18.9 109 166 A N S S+ 0 0 23 1,-0.2 -45,-0.3 -2,-0.2 3,-0.1 0.898 121.0 10.0 -57.0 -41.7 1.9 55.6 22.5 110 167 A D S S+ 0 0 0 -47,-0.1 -48,-1.5 1,-0.1 2,-0.3 0.095 126.0 41.8-134.5 21.8 4.2 58.2 23.8 111 168 A R E -D 61 0A 4 -3,-0.3 -3,-2.9 -50,-0.3 2,-0.4 -0.980 57.9-145.1-162.2 162.3 5.1 60.5 21.0 112 169 A T E -DF 60 107A 0 -52,-2.6 -52,-2.8 -2,-0.3 2,-0.4 -0.984 13.9-166.3-132.1 138.8 3.5 62.3 18.0 113 170 A V E -DF 59 106A 0 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.5 -0.989 7.1-166.3-135.6 125.7 5.3 62.8 14.7 114 171 A Y E +DF 58 105A 0 -56,-2.3 -56,-2.6 -2,-0.4 2,-0.4 -0.954 23.7 176.9-110.4 123.2 4.2 65.2 11.8 115 172 A M E +DF 57 104A 3 -11,-2.6 -11,-2.7 -2,-0.5 2,-0.3 -0.987 13.3 155.8-140.3 139.5 6.0 64.5 8.6 116 173 A A E -DF 56 103A 0 -60,-1.7 -60,-2.3 -2,-0.4 2,-0.3 -0.969 11.2-170.4-152.2 170.5 6.1 65.7 4.9 117 174 A G E -DF 55 102A 0 -15,-1.8 -16,-2.1 -2,-0.3 -15,-0.8 -0.969 1.4-165.8-157.6 162.3 8.5 65.8 1.9 118 175 A S E -DF 54 100A 0 -64,-2.5 -64,-2.1 -2,-0.3 -18,-0.2 -0.980 28.1-138.4-156.2 153.7 8.8 67.3 -1.5 119 176 A M S S+ 0 0 63 -20,-1.2 2,-0.4 -2,-0.3 -19,-0.1 0.566 91.0 63.5 -80.5 -13.2 10.7 67.1 -4.7 120 177 A N S > S- 0 0 31 -21,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.955 73.4-142.0-124.4 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198 A L G <4 S+ 0 0 13 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.634 114.7 27.0 -75.8 -9.0 -6.5 76.3 20.9 142 199 A E T <4 S+ 0 0 158 -3,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.605 116.2 61.0-122.7 -25.4 -8.9 79.1 20.3 143 200 A N >X - 0 0 38 -4,-1.9 3,-1.7 1,-0.1 4,-0.9 -0.888 55.0-169.0-120.5 102.4 -11.9 77.5 18.6 144 201 A K H 3> S+ 0 0 92 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.708 82.8 73.0 -62.3 -21.8 -13.7 74.8 20.5 145 202 A Y H 3> S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.835 94.0 52.8 -65.6 -28.1 -15.7 73.8 17.3 146 203 A I H <> S+ 0 0 4 -3,-1.7 4,-2.8 2,-0.2 5,-0.3 0.924 109.9 48.4 -73.8 -39.0 -12.5 72.2 15.9 147 204 A F H X>S+ 0 0 9 -4,-0.9 4,-2.6 -7,-0.2 5,-0.6 0.902 111.8 49.3 -62.2 -41.1 -12.1 70.1 19.1 148 205 A E H <5S+ 0 0 21 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.841 114.5 45.8 -68.8 -29.4 -15.8 69.1 18.9 149 206 A T H <5S+ 0 0 22 -4,-1.7 33,-2.2 -5,-0.2 -2,-0.2 0.921 123.1 32.6 -74.2 -43.3 -15.3 68.1 15.2 150 207 A E H <5S+ 0 0 12 -4,-2.8 33,-2.5 31,-0.2 -2,-0.2 0.758 130.6 25.5 -90.0 -26.8 -12.1 66.2 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-77.8 152.5 -38.6 59.5 13.8 161 218 A E T >4 S+ 0 0 139 1,-0.2 3,-1.0 -2,-0.2 -1,-0.1 0.905 121.1 41.5 -46.2 -57.6 -42.3 58.9 14.7 162 219 A D T 34 S+ 0 0 116 1,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.949 106.4 63.6 -53.9 -52.7 -41.7 55.4 15.9 163 220 A E T >4 S+ 0 0 18 2,-0.1 3,-1.7 3,-0.0 -1,-0.2 0.722 78.3 111.4 -47.1 -29.3 -38.5 56.3 17.8 164 221 A K T << S- 0 0 90 -4,-1.3 3,-0.1 -3,-1.0 12,-0.0 -0.213 88.0 -0.6 -58.0 128.4 -40.4 58.7 20.1 165 222 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.293 85.4 145.6 81.2 -10.6 -40.7 57.5 23.7 166 223 A K X - 0 0 99 -3,-1.7 3,-1.1 -4,-0.2 -1,-0.2 -0.419 46.2-143.7 -64.7 131.6 -38.7 54.3 23.3 167 224 A A T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 4,-0.1 0.806 96.6 58.7 -65.3 -27.2 -36.7 53.6 26.5 168 225 A E T 3 S+ 0 0 103 2,-0.1 -1,-0.2 1,-0.1 356,-0.1 0.597 92.4 74.6 -84.9 -11.7 -33.8 52.2 24.5 169 226 A I S < S- 0 0 27 -3,-1.1 2,-0.1 -6,-0.2 -4,-0.1 -0.902 83.4-128.2-106.5 115.8 -33.2 55.4 22.4 170 227 A P + 0 0 6 0, 0.0 7,-2.1 0, 0.0 2,-0.3 -0.478 46.7 155.7 -66.8 132.1 -31.5 58.3 24.2 171 228 A Q E +J 176 0C 47 5,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.990 27.7 179.2-156.7 155.9 -33.6 61.4 23.6 172 229 A M E > S-J 175 0C 10 3,-2.1 3,-2.1 -2,-0.3 355,-0.0 -0.938 73.1 -2.6-157.5 141.9 -34.5 64.8 24.9 173 230 A K T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.802 129.5 -49.4 46.9 42.5 -36.9 67.5 23.5 174 231 A D T 3 S+ 0 0 72 1,-0.2 -15,-2.3 -16,-0.1 2,-0.4 0.642 115.8 109.7 74.4 12.7 -37.8 65.6 20.3 175 232 A Y E < -IJ 158 172C 35 -3,-2.1 -3,-2.1 -17,-0.2 2,-0.4 -0.966 65.4-132.6-117.3 143.4 -34.2 64.8 19.3 176 233 A K E -IJ 157 171C 54 -19,-3.4 -19,-1.9 -2,-0.4 2,-0.5 -0.721 28.7-148.0 -78.7 139.2 -32.3 61.6 19.4 177 234 A V E +I 156 0C 3 -7,-2.1 2,-0.3 -2,-0.4 -21,-0.2 -0.938 27.9 150.6-118.4 130.8 -28.9 62.1 21.1 178 235 A S E -I 155 0C 31 -23,-2.5 -23,-3.0 -2,-0.5 2,-0.3 -0.848 43.0 -97.4-142.2 179.5 -25.7 60.3 20.2 179 236 A F E +I 154 0C 13 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.763 40.6 172.6 -98.2 151.8 -21.9 60.8 20.3 180 237 A N E +I 153 0C 37 -27,-2.1 -27,-1.7 -2,-0.3 2,-0.2 -0.935 12.9 123.2-149.6 171.6 -20.0 61.9 17.2 181 238 A G > - 0 0 4 -2,-0.3 4,-2.8 -29,-0.2 5,-0.3 -0.454 59.1-103.4 141.1 142.8 -16.4 63.0 16.4 182 239 A I H > S+ 0 0 36 -33,-2.2 4,-2.1 2,-0.2 -31,-0.2 0.968 121.8 33.1 -56.5 -57.5 -13.6 62.0 14.1 183 240 A V H > S+ 0 0 0 -33,-2.5 4,-2.3 2,-0.2 5,-0.3 0.906 116.4 58.4 -70.3 -38.6 -11.4 60.4 16.7 184 241 A Y H > S+ 0 0 2 -33,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.947 112.1 40.1 -51.8 -51.7 -14.5 59.1 18.6 185 242 A N H X S+ 0 0 46 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.845 111.5 56.2 -70.6 -35.7 -15.7 57.2 15.5 186 243 A E H X S+ 0 0 62 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.928 112.9 41.9 -60.1 -40.7 -12.3 56.0 14.4 187 244 A M H X S+ 0 0 16 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.825 111.5 53.6 -81.3 -31.1 -11.8 54.3 17.8 188 245 A K H >< S+ 0 0 24 -4,-2.0 3,-0.9 -5,-0.3 4,-0.4 0.927 110.5 49.9 -63.7 -41.1 -15.3 53.0 18.0 189 246 A G H >< S+ 0 0 22 -4,-2.5 3,-1.8 1,-0.3 4,-0.3 0.889 103.0 59.8 -61.4 -42.6 -14.6 51.4 14.6 190 247 A A H >< S+ 0 0 23 -4,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.711 86.3 75.6 -63.8 -21.5 -11.3 50.0 15.8 191 248 A L T << S+ 0 0 70 -3,-0.9 107,-0.3 -4,-0.8 -1,-0.3 0.808 89.7 62.0 -56.8 -27.5 -13.2 47.9 18.6 192 249 A S T < S+ 0 0 61 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.697 84.9 85.1 -71.9 -21.3 -14.2 45.7 15.7 193 250 A S <> - 0 0 27 -3,-1.6 4,-2.2 -4,-0.3 3,-0.3 -0.715 61.0-162.4 -93.2 114.8 -10.7 44.6 14.8 194 251 A P H > S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.795 89.3 56.1 -71.6 -23.6 -9.5 41.7 16.8 195 252 A L H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.898 109.5 48.4 -70.8 -36.0 -5.8 42.2 16.1 196 253 A E H > S+ 0 0 79 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.902 112.4 48.4 -59.1 -46.6 -6.2 45.8 17.4 197 254 A D H X S+ 0 0 24 -4,-2.2 4,-2.4 -7,-0.2 -2,-0.2 0.924 110.4 51.1 -62.1 -44.0 -7.9 44.4 20.4 198 255 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.922 107.7 53.6 -60.5 -43.1 -5.2 41.8 20.9 199 256 A Y H X S+ 0 0 77 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.938 110.8 45.6 -57.4 -46.1 -2.4 44.5 20.7 200 257 A H H X S+ 0 0 37 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.869 111.1 52.3 -73.3 -31.5 -4.1 46.6 23.5 201 258 A E H X S+ 0 0 12 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.895 107.8 52.7 -65.8 -39.8 -4.7 43.6 25.7 202 259 A E H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.887 106.7 52.7 -61.6 -38.2 -1.0 42.6 25.4 203 260 A M H X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.878 104.0 57.1 -66.2 -33.4 0.0 46.1 26.5 204 261 A K H < S+ 0 0 76 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.8 34.0 -65.5 -36.5 -2.1 45.9 29.6 205 262 A Y H < S+ 0 0 76 -4,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.707 120.2 48.4 -94.0 -19.4 -0.3 42.8 30.7 206 263 A M H < S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.905 128.8 20.1 -80.0 -37.9 3.2 43.6 29.5 207 264 A F >< + 0 0 0 -4,-2.5 3,-1.4 -5,-0.3 6,-0.6 -0.385 70.0 145.6-131.7 48.7 3.3 47.2 30.9 208 265 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.801 76.8 48.4 -61.6 -25.2 0.7 47.4 33.7 209 266 A D T 3 S+ 0 0 102 -3,-0.2 2,-0.2 76,-0.1 73,-0.1 0.361 108.9 52.9 -99.1 4.5 2.8 49.8 35.7 210 267 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