==== 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 3S5I . COMPND 2 MOLECULE: FALCILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR E.MORGUNOVA,M.PONPUAK,E.ISTVAN,A.POPOV,D.GOLDBERG,T.ENEQVIST . 1093 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 74.1 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 . 140 12.8 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 . 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 . 68 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 406 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 4 4 1 5 2 4 2 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 4 4 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 57 A T 0 0 140 0, 0.0 23,-0.0 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 129.7 35.7 7.5 7.0 2 58 A P > - 0 0 45 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -0.069 360.0-115.1 -66.1 166.6 35.0 8.7 3.4 3 59 A E G > S+ 0 0 181 1,-0.2 3,-1.0 2,-0.1 4,-0.3 0.825 106.0 65.5 -74.2 -35.8 35.4 12.3 2.2 4 60 A W G 3 S+ 0 0 37 1,-0.2 3,-0.4 2,-0.1 4,-0.4 0.639 83.3 77.0 -62.2 -17.2 31.7 12.9 1.4 5 61 A I G X S+ 0 0 25 -3,-0.7 3,-1.3 1,-0.2 4,-0.3 0.836 79.3 69.1 -71.6 -27.1 30.6 12.7 5.0 6 62 A H G X S+ 0 0 126 -3,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.873 93.7 54.1 -59.5 -40.9 31.8 16.1 6.1 7 63 A E G 3 S+ 0 0 113 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.613 97.4 68.4 -72.2 -11.1 29.2 18.2 4.2 8 64 A K G < S+ 0 0 8 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.640 101.2 47.1 -77.8 -13.2 26.4 16.2 5.8 9 65 A S S < S+ 0 0 15 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 -0.439 75.9 168.3-128.5 55.9 27.2 17.8 9.2 10 66 A P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.362 39.1-108.6 -65.9 148.1 27.5 21.6 8.6 11 67 A K - 0 0 195 -2,-0.0 2,-0.3 6,-0.0 5,-0.1 -0.435 31.9-166.4 -67.1 149.2 27.6 23.9 11.6 12 68 A H > - 0 0 17 3,-0.4 3,-2.4 -2,-0.1 5,-0.0 -0.952 21.2-138.2-142.3 126.2 24.5 26.0 12.2 13 69 A N T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.706 101.1 56.0 -60.8 -20.7 24.5 29.0 14.6 14 70 A S T 3 S+ 0 0 20 22,-0.1 22,-2.7 21,-0.1 23,-0.4 0.522 109.5 49.1 -88.6 -2.5 21.0 28.2 16.0 15 71 A Y E < -A 35 0A 9 -3,-2.4 2,-0.5 20,-0.3 -3,-0.4 -0.916 67.0-137.3-132.7 157.9 22.0 24.7 17.0 16 72 A D E -A 34 0A 80 18,-2.4 18,-3.1 -2,-0.3 2,-0.7 -0.965 24.9-131.1-107.5 133.1 24.6 22.6 18.8 17 73 A I E +A 33 0A 60 -2,-0.5 16,-0.2 16,-0.2 3,-0.1 -0.722 30.8 174.4 -78.8 116.5 25.7 19.4 17.3 18 74 A I E + 0 0 84 14,-2.5 2,-0.3 -2,-0.7 -1,-0.2 0.499 64.0 20.4-104.3 -3.3 25.4 16.9 20.2 19 75 A E E +A 32 0A 64 13,-1.0 13,-2.5 2,-0.0 2,-0.3 -0.942 57.6 178.4-163.3 136.0 26.2 13.7 18.3 20 76 A K E +A 31 0A 134 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.870 17.3 157.9-148.8 112.7 27.9 12.9 15.1 21 77 A R E -A 30 0A 63 9,-2.9 9,-2.4 -2,-0.3 2,-0.4 -0.855 29.6-145.4-133.4 162.0 28.4 9.4 13.8 22 78 A Y E -A 29 0A 44 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.997 11.6-153.5-129.4 129.3 29.1 7.4 10.6 23 79 A N E >> -A 28 0A 2 5,-3.1 5,-1.9 -2,-0.4 4,-0.6 -0.905 3.7-166.4-104.0 119.0 27.6 4.0 10.2 24 80 A E T >45S+ 0 0 121 -2,-0.6 3,-0.7 3,-0.2 -1,-0.2 0.898 82.7 60.1 -69.1 -43.5 29.7 1.8 7.7 25 81 A E T 345S+ 0 0 47 1,-0.3 -1,-0.2 443,-0.2 444,-0.1 0.904 120.7 25.8 -55.0 -42.8 27.2 -0.9 7.2 26 82 A F T 345S- 0 0 8 2,-0.1 -1,-0.3 442,-0.1 -2,-0.2 0.361 100.5-126.9-104.6 5.9 24.6 1.5 5.8 27 83 A K T <<5 + 0 0 96 -3,-0.7 21,-0.5 -4,-0.6 2,-0.4 0.938 64.3 142.9 47.9 52.8 27.0 4.2 4.5 28 84 A M E < -AB 23 47A 4 -5,-1.9 -5,-3.1 19,-0.1 2,-0.3 -0.982 48.3-142.5-131.3 130.9 24.9 6.6 6.5 29 85 A T E -AB 22 46A 4 17,-1.7 17,-1.8 -2,-0.4 2,-0.4 -0.673 11.4-161.0 -89.5 149.6 25.8 9.7 8.6 30 86 A Y E +AB 21 45A 2 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.4 -0.970 15.6 171.1-133.5 109.7 23.9 10.4 11.8 31 87 A T E -AB 20 44A 0 13,-2.4 13,-3.1 -2,-0.4 2,-0.6 -0.988 17.4-157.0-129.3 122.6 24.0 14.0 13.1 32 88 A V E -AB 19 43A 2 -13,-2.5 -14,-2.5 -2,-0.4 -13,-1.0 -0.903 7.7-167.9-105.7 118.4 21.9 15.3 16.0 33 89 A Y E -AB 17 42A 0 9,-3.0 9,-2.8 -2,-0.6 2,-0.6 -0.930 5.7-157.5-103.1 125.3 21.4 19.0 16.1 34 90 A Q E -AB 16 41A 50 -18,-3.1 -18,-2.4 -2,-0.5 7,-0.2 -0.909 21.9-125.3-105.4 120.9 19.9 20.5 19.4 35 91 A H E > -A 15 0A 6 5,-2.9 4,-1.9 -2,-0.6 -20,-0.3 -0.455 16.3-140.7 -66.1 129.9 18.2 23.8 18.9 36 92 A K T 4 S+ 0 0 96 -22,-2.7 -1,-0.1 -2,-0.2 -21,-0.1 0.908 94.1 31.4 -63.4 -42.9 19.8 26.2 21.4 37 93 A K T 4 S+ 0 0 187 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.923 132.7 27.2 -81.8 -45.7 16.5 28.1 22.4 38 94 A A T 4 S- 0 0 2 2,-0.1 -2,-0.2 204,-0.1 -1,-0.1 0.646 88.5-139.2 -94.5 -17.1 13.8 25.4 22.0 39 95 A K < + 0 0 86 -4,-1.9 -3,-0.1 1,-0.3 204,-0.1 0.380 48.6 150.9 69.0 -1.2 16.0 22.3 22.7 40 96 A T - 0 0 2 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.334 41.2-134.0 -54.2 135.0 14.1 20.5 19.9 41 97 A Q E -Bc 34 246A 40 204,-1.3 206,-2.7 -7,-0.2 2,-0.5 -0.843 13.3-159.3-100.8 135.3 16.4 17.9 18.3 42 98 A V E -Bc 33 247A 0 -9,-2.8 -9,-3.0 -2,-0.4 2,-0.7 -0.971 8.2-158.5-108.8 120.3 16.8 17.4 14.5 43 99 A I E -Bc 32 248A 0 204,-3.2 206,-2.1 -2,-0.5 2,-0.5 -0.915 12.1-162.9-104.1 107.9 18.2 14.0 13.7 44 100 A S E -Bc 31 249A 4 -13,-3.1 -13,-2.4 -2,-0.7 2,-0.5 -0.826 7.8-164.9-105.3 124.7 19.7 14.2 10.3 45 101 A L E -Bc 30 250A 1 204,-3.1 206,-1.8 -2,-0.5 2,-0.3 -0.927 12.0-161.3-109.3 121.6 20.5 11.0 8.3 46 102 A G E -Bc 29 251A 2 -17,-1.8 -17,-1.7 -2,-0.5 2,-0.3 -0.817 8.4-174.7-110.5 149.0 22.8 11.5 5.3 47 103 A T E -B 28 0A 7 204,-1.1 -19,-0.1 -2,-0.3 -20,-0.1 -0.945 22.8-164.6-136.8 155.9 23.4 9.3 2.3 48 104 A N + 0 0 84 -21,-0.5 -20,-0.1 -2,-0.3 204,-0.1 0.208 53.2 121.2-120.6 4.9 25.7 9.3 -0.7 49 105 A D > - 0 0 32 -22,-0.2 3,-2.2 1,-0.2 -2,-0.1 -0.647 56.9-147.6 -73.9 118.3 23.7 6.8 -2.8 50 106 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 202,-0.1 0.743 96.3 61.6 -60.2 -23.0 22.8 8.5 -6.1 51 107 A L T 3 S+ 0 0 64 1,-0.2 2,-1.6 2,-0.1 3,-0.2 0.553 79.4 90.8 -80.7 -6.5 19.6 6.5 -6.3 52 108 A D < + 0 0 12 -3,-2.2 200,-0.3 1,-0.2 -1,-0.2 -0.591 45.1 143.6 -87.2 76.4 18.4 8.0 -3.0 53 109 A V + 0 0 84 -2,-1.6 2,-0.2 198,-0.1 -1,-0.2 0.495 40.0 90.0 -98.8 -5.1 16.5 10.9 -4.6 54 110 A E - 0 0 16 -3,-0.2 2,-0.4 64,-0.0 66,-0.2 -0.656 62.9-151.3 -85.2 147.5 13.5 11.0 -2.2 55 111 A Q E -D 119 0A 13 64,-2.3 64,-2.2 -2,-0.2 2,-0.3 -0.949 17.9-176.3-112.9 147.0 13.7 13.3 0.9 56 112 A A E -DE 118 250A 5 194,-2.0 194,-2.6 -2,-0.4 2,-0.3 -0.964 10.7-170.2-138.6 153.0 11.7 12.3 4.0 57 113 A F E -DE 117 249A 4 60,-2.5 60,-1.8 -2,-0.3 2,-0.3 -0.931 2.1-166.7-135.6 164.4 11.0 13.7 7.4 58 114 A A E -DE 116 248A 0 190,-1.7 190,-2.7 -2,-0.3 2,-0.5 -0.983 14.7-147.5-146.4 140.5 9.4 12.5 10.6 59 115 A F E -DE 115 247A 0 56,-2.6 56,-2.5 -2,-0.3 2,-0.5 -0.973 21.6-164.1-103.1 127.4 8.1 14.1 13.8 60 116 A Y E -DE 114 246A 8 186,-2.7 186,-2.2 -2,-0.5 2,-0.5 -0.954 8.7-178.8-118.1 123.6 8.6 11.7 16.7 61 117 A V E -D 113 0A 0 52,-2.7 52,-2.5 -2,-0.5 2,-0.4 -0.980 26.1-132.5-127.5 120.0 6.7 12.4 20.0 62 118 A K E +D 112 0A 27 -2,-0.5 50,-0.3 182,-0.3 2,-0.1 -0.605 32.1 175.5 -71.7 128.3 7.0 10.2 23.1 63 119 A T - 0 0 0 48,-1.6 49,-0.2 -2,-0.4 2,-0.1 -0.568 7.4-175.8-142.2 72.2 3.4 9.6 24.2 64 120 A L - 0 0 6 47,-0.2 2,-0.3 -2,-0.1 47,-0.1 -0.447 15.0-149.2 -67.6 144.1 3.0 7.1 27.2 65 121 A T - 0 0 5 45,-0.3 150,-0.2 147,-0.2 152,-0.1 -0.804 20.1-169.4-114.4 162.5 -0.6 6.3 28.2 66 122 A H S S+ 0 0 110 -2,-0.3 2,-0.3 151,-0.0 -1,-0.1 0.083 73.1 22.1-137.6 19.0 -2.2 5.5 31.5 67 123 A S S S- 0 0 33 145,-0.1 3,-0.3 149,-0.0 152,-0.1 -0.931 85.2 -96.8-162.2-178.2 -5.7 4.4 30.5 68 124 A G S S+ 0 0 1 -2,-0.3 152,-2.7 1,-0.2 156,-0.3 0.068 82.6 114.9 -95.7 24.1 -7.6 3.0 27.5 69 125 A K S S- 0 0 41 150,-0.2 -1,-0.2 154,-0.2 158,-0.1 0.652 73.4-135.0 -71.4 -12.1 -8.9 6.5 26.6 70 126 A G > + 0 0 2 146,-0.4 4,-2.3 -3,-0.3 3,-0.5 0.717 47.1 154.8 69.0 22.8 -7.0 6.6 23.3 71 127 A I H > + 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 69.2 47.5 -54.7 -48.1 -5.7 10.1 23.7 72 128 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.863 111.7 51.1 -67.0 -28.9 -2.6 9.8 21.5 73 129 A H H > S+ 0 0 14 144,-0.9 4,-1.8 -3,-0.5 -2,-0.2 0.863 109.1 50.4 -71.7 -37.9 -4.5 8.1 18.7 74 130 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.908 112.1 48.6 -67.3 -36.4 -7.2 10.9 18.7 75 131 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.940 105.0 58.2 -64.1 -46.8 -4.3 13.4 18.5 76 132 A E H < S+ 0 0 23 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.904 115.9 36.2 -49.9 -45.5 -2.7 11.5 15.7 77 133 A H H < S+ 0 0 34 -4,-1.8 3,-0.4 1,-0.1 -1,-0.2 0.890 120.3 46.4 -72.1 -41.1 -6.0 12.0 13.7 78 134 A S H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 63,-0.3 0.795 97.1 64.0 -85.3 -27.6 -7.0 15.4 14.8 79 135 A V T 3< S+ 0 0 0 -4,-2.7 61,-0.3 1,-0.3 3,-0.2 0.818 98.7 59.6 -67.5 -24.0 -3.8 17.5 14.6 80 136 A L T 3 S+ 0 0 16 -4,-0.4 12,-1.8 -3,-0.4 2,-0.4 0.507 83.0 86.3 -81.2 -4.9 -3.8 17.0 10.8 81 137 A S S < S- 0 0 11 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 -0.258 109.8 -51.3 -92.6 44.4 -7.2 18.7 10.5 82 138 A G - 0 0 0 -2,-0.4 58,-2.5 -3,-0.2 59,-0.4 -0.021 56.1-150.2 107.7 154.9 -5.9 22.3 10.3 83 139 A S B > -GH 86 139B 0 3,-2.0 3,-0.7 56,-0.3 52,-0.1 -0.919 37.8 -84.7-154.0 175.5 -3.5 24.5 12.2 84 140 A K T 3 S+ 0 0 131 54,-2.2 3,-0.4 50,-0.4 51,-0.1 0.873 127.0 33.0 -58.7 -41.2 -2.8 28.1 13.1 85 141 A N T 3 S+ 0 0 73 1,-0.3 -1,-0.3 53,-0.1 2,-0.2 0.502 127.3 41.0 -94.2 -8.2 -0.9 28.9 9.9 86 142 A Y B < S-G 83 0B 51 -3,-0.7 -3,-2.0 45,-0.1 2,-2.0 -0.633 74.8-178.0-136.2 75.1 -2.9 26.6 7.7 87 143 A N + 0 0 97 -3,-0.4 2,-0.3 -5,-0.2 -3,-0.1 -0.471 30.7 130.0 -84.7 76.1 -6.4 27.1 8.9 88 144 A Y > - 0 0 11 -2,-2.0 3,-0.6 -5,-0.1 -2,-0.1 -0.858 65.6-120.8-126.5 155.2 -8.3 24.6 6.7 89 145 A K T 3 S+ 0 0 60 -2,-0.3 2,-0.1 1,-0.3 -1,-0.1 0.818 109.0 17.9 -65.3 -32.8 -10.8 22.0 7.6 90 146 A N T 3> + 0 0 42 1,-0.1 4,-1.5 2,-0.1 -1,-0.3 -0.533 65.7 163.6-143.6 70.7 -8.6 19.2 6.1 91 147 A S H <> S+ 0 0 0 -3,-0.6 4,-1.4 -11,-0.2 3,-0.4 0.904 83.3 49.4 -54.2 -48.2 -5.0 20.3 5.7 92 148 A I H > S+ 0 0 38 -12,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.878 106.8 57.5 -62.6 -36.5 -3.8 16.7 5.3 93 149 A G H > S+ 0 0 9 -13,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 102.8 53.6 -60.7 -36.0 -6.5 16.1 2.7 94 150 A L H X S+ 0 0 7 -4,-1.5 4,-0.7 -3,-0.4 -1,-0.2 0.836 109.3 48.6 -71.5 -34.0 -5.2 19.0 0.6 95 151 A L H >< S+ 0 0 2 -4,-1.4 3,-0.9 1,-0.2 4,-0.4 0.921 111.2 49.7 -64.7 -44.2 -1.7 17.4 0.6 96 152 A E H 3< S+ 0 0 79 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.884 108.2 55.7 -63.0 -34.0 -3.2 14.0 -0.4 97 153 A K H 3< S+ 0 0 34 -4,-1.9 908,-0.4 1,-0.2 -1,-0.2 0.635 125.4 6.4 -73.1 -22.7 -5.1 15.7 -3.2 98 154 A G S << S+ 0 0 7 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.040 89.0 102.1-169.9 65.9 -2.2 17.3 -5.0 99 155 A T - 0 0 10 -4,-0.4 909,-0.2 -3,-0.3 26,-0.0 -0.875 67.0-116.5-134.5 167.7 1.4 16.8 -4.1 100 156 A L + 0 0 6 -2,-0.3 20,-1.4 21,-0.1 21,-0.3 -0.202 61.8 157.4 -88.1 38.1 4.4 14.8 -5.4 101 157 A H E -F 119 0A 39 -6,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.318 39.6-162.4 -64.0 150.6 4.5 12.9 -2.1 102 158 A T E S- 0 0 37 16,-2.2 2,-0.3 1,-0.4 17,-0.2 0.690 81.6 -5.9 -94.0 -30.2 6.0 9.5 -1.9 103 159 A H E -F 118 0A 17 15,-0.9 15,-1.9 2,-0.0 -1,-0.4 -0.963 52.9-170.1-162.1 149.8 4.2 8.8 1.4 104 160 A L E +F 117 0A 19 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.857 37.0 139.7-146.0 101.6 1.9 10.7 3.8 105 161 A N E -F 116 0A 62 11,-2.7 11,-2.4 -2,-0.3 2,-0.3 -0.905 33.4-164.9-146.6 163.9 1.3 8.8 7.0 106 162 A A E -F 115 0A 18 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.952 14.1-164.7-152.0 147.7 1.0 9.0 10.8 107 163 A Y E -F 114 0A 81 7,-2.4 7,-2.4 -2,-0.3 2,-0.6 -0.999 13.7-152.5-140.2 136.7 1.2 6.2 13.4 108 164 A T E -F 113 0A 30 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.945 19.9-177.6-110.0 111.3 0.2 5.7 17.0 109 165 A F - 0 0 53 3,-2.7 3,-0.2 -2,-0.6 -36,-0.0 -0.370 47.6 -89.0 -89.1-177.3 2.3 3.1 18.8 110 166 A N S S+ 0 0 20 1,-0.2 -45,-0.3 -2,-0.1 3,-0.1 0.907 121.6 11.3 -60.1 -39.3 1.7 2.1 22.4 111 167 A D S S+ 0 0 0 -47,-0.1 -48,-1.6 1,-0.1 2,-0.3 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K >> - 0 0 101 1,-0.1 3,-2.3 -3,-0.1 4,-1.2 -0.598 31.8-105.8 -80.3 156.9 -38.7 6.1 13.5 162 218 A E G >4 S+ 0 0 147 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.902 120.7 50.5 -50.3 -46.5 -42.3 5.3 14.5 163 219 A D G 34 S+ 0 0 121 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.420 104.9 58.3 -76.7 1.1 -41.3 1.7 15.5 164 220 A E G X4 S+ 0 0 17 -3,-2.3 3,-2.1 2,-0.1 -1,-0.2 0.729 76.4 113.3 -99.0 -26.5 -38.4 2.9 17.7 165 221 A K T << S- 0 0 94 -4,-1.2 3,-0.1 -3,-0.7 12,-0.0 -0.174 90.6 -1.1 -51.7 127.3 -40.5 5.1 20.0 166 222 A G T 3 S+ 0 0 67 1,-0.2 2,-0.7 4,-0.1 -1,-0.3 0.451 85.5 146.6 73.2 1.0 -40.6 3.8 23.6 167 223 A K X - 0 0 100 -3,-2.1 3,-2.2 1,-0.2 -1,-0.2 -0.623 43.1-148.5 -70.5 112.5 -38.5 0.7 22.9 168 224 A A T 3 S+ 0 0 72 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.766 93.8 57.2 -52.3 -31.2 -36.6 0.2 26.1 169 225 A E T 3 S+ 0 0 94 1,-0.1 -1,-0.3 2,-0.1 357,-0.1 0.477 93.7 74.5 -85.4 -2.8 -33.6 -1.3 24.3 170 226 A I S < S- 0 0 31 -3,-2.2 -4,-0.1 -6,-0.2 -1,-0.1 -0.929 85.3-128.9-112.9 109.7 -33.1 1.7 22.0 171 227 A P + 0 0 9 0, 0.0 7,-2.1 0, 0.0 2,-0.3 -0.286 45.1 157.3 -59.6 132.8 -31.5 4.7 23.8 172 228 A Q E +J 177 0C 48 5,-0.2 2,-0.3 -4,-0.1 5,-0.2 -0.996 26.7 179.6-156.6 158.2 -33.6 7.8 23.2 173 229 A M E > S-J 176 0C 10 3,-2.2 3,-1.9 -2,-0.3 356,-0.0 -0.943 70.9 -2.9-157.8 142.2 -34.5 11.3 24.4 174 230 A K T 3 S- 0 0 87 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.841 129.5 -48.2 43.8 49.7 -36.9 14.0 23.1 175 231 A D T 3 S+ 0 0 69 1,-0.2 -15,-2.1 -16,-0.1 2,-0.4 0.672 117.0 109.3 71.7 15.2 -37.9 12.2 19.9 176 232 A Y E < -IJ 159 173C 40 -3,-1.9 -3,-2.2 -17,-0.3 2,-0.4 -0.972 65.6-132.7-122.2 142.0 -34.2 11.3 19.0 177 233 A K E -IJ 158 172C 61 -19,-3.5 -19,-1.9 -2,-0.4 2,-0.4 -0.771 30.5-145.7 -80.9 138.1 -32.3 8.0 19.0 178 234 A V E +I 157 0C 4 -7,-2.1 2,-0.3 -2,-0.4 -21,-0.2 -0.902 29.4 149.9-116.8 133.6 -29.0 8.5 20.7 179 235 A S E -I 156 0C 46 -23,-2.2 -23,-2.8 -2,-0.4 2,-0.3 -0.861 42.7 -99.1-144.2 174.7 -25.7 6.8 19.8 180 236 A F E +I 155 0C 12 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.777 39.0 173.7 -97.4 152.5 -21.9 7.4 19.9 181 237 A N E +I 154 0C 32 -27,-2.1 -27,-1.8 -2,-0.3 2,-0.1 -0.901 14.6 122.9-147.1 170.6 -20.0 8.5 16.9 182 238 A G > - 0 0 5 -2,-0.3 4,-3.0 -29,-0.2 5,-0.3 -0.370 59.8-104.3 138.8 142.9 -16.4 9.7 16.1 183 239 A I H > S+ 0 0 29 -33,-2.2 4,-2.4 2,-0.2 -31,-0.2 0.968 120.6 34.7 -58.4 -56.3 -13.5 8.6 13.8 184 240 A V H > S+ 0 0 0 -33,-2.4 4,-2.7 1,-0.2 5,-0.3 0.927 116.6 56.0 -68.6 -44.0 -11.4 7.0 16.4 185 241 A Y H > S+ 0 0 3 -33,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.952 113.0 41.2 -47.5 -54.7 -14.4 5.7 18.3 186 242 A N H X S+ 0 0 43 -4,-3.0 4,-2.3 -34,-0.2 -1,-0.2 0.893 112.9 54.5 -66.2 -38.4 -15.7 3.9 15.2 187 243 A E H X S+ 0 0 55 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.939 112.9 41.8 -58.8 -47.0 -12.3 2.7 14.2 188 244 A M H < S+ 0 0 16 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.838 111.9 53.8 -75.1 -30.8 -11.7 1.0 17.6 189 245 A K H >< S+ 0 0 22 -4,-2.3 3,-1.3 -5,-0.3 4,-0.3 0.925 109.4 50.6 -63.4 -40.2 -15.2 -0.4 17.8 190 246 A G H >< S+ 0 0 22 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.905 103.1 59.1 -64.1 -40.4 -14.6 -1.9 14.3 191 247 A A G >< S+ 0 0 23 -4,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.643 87.5 79.2 -63.7 -12.3 -11.3 -3.4 15.6 192 248 A L G < S+ 0 0 93 -3,-1.3 107,-0.3 -4,-0.4 -1,-0.3 0.737 87.9 55.7 -67.6 -22.5 -13.3 -5.3 18.3 193 249 A S G < S+ 0 0 65 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.587 84.4 93.9 -90.8 -10.4 -14.4 -8.0 15.8 194 250 A S <> - 0 0 6 -3,-1.0 4,-2.3 -4,-0.3 3,-0.3 -0.738 58.9-160.8 -87.1 114.6 -10.9 -8.9 14.8 195 251 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.800 90.5 56.2 -62.4 -28.9 -9.6 -11.9 16.8 196 252 A L H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.893 109.7 45.8 -73.3 -35.8 -5.9 -11.1 15.9 197 253 A E H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.910 113.8 49.6 -64.2 -45.8 -6.2 -7.6 17.3 198 254 A D H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 110.0 50.6 -59.8 -43.5 -8.0 -8.9 20.4 199 255 A L H X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.908 106.6 55.5 -63.3 -41.9 -5.3 -11.5 20.9 200 256 A Y H X S+ 0 0 81 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 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1,-0.3 -1,-0.2 0.796 95.8 49.6 -60.4 -28.9 17.4 -3.0 3.5 441 518 A N T << S+ 0 0 15 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.416 108.5 53.9 -91.1 3.1 19.8 -0.3 2.4 442 519 A L T < S+ 0 0 15 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.2 0.152 84.9 109.4-120.3 14.0 18.8 -0.7 -1.3 443 520 A K S X S- 0 0 102 -3,-0.6 3,-1.4 -4,-0.1 2,-0.2 -0.666 74.0-110.2-100.2 145.2 15.0 -0.3 -0.9 444 521 A T T 3 S+ 0 0 32 -2,-0.3 -2,-0.1 1,-0.3 -392,-0.1 -0.532 107.5 10.9 -65.8 141.0 12.9 2.6 -2.1 445 522 A S T >> S+ 0 0 48 -2,-0.2 3,-1.6 1,-0.1 4,-0.6 0.787 79.8 151.1 55.7 30.4 11.6 4.5 1.0 446 523 A K H <> + 0 0 11 -3,-1.4 4,-1.8 1,-0.2 5,-0.1 0.725 59.1 75.7 -57.7 -20.0 14.0 2.5 3.3 447 524 A S H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.759 82.4 66.3 -75.0 -15.5 14.1 5.5 5.6 448 525 A I H <> S+ 0 0 26 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.973 106.4 40.7 -62.5 -53.5 10.6 4.6 6.9 449 526 A D H X S+ 0 0 112 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.850 111.5 57.4 -64.7 -32.6 11.9 1.5 8.5 450 527 A F H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.935 108.1 47.5 -59.4 -43.8 15.0 3.3 9.6 451 528 A V H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.923 108.6 54.0 -66.6 -40.1 12.9 5.8 11.5 452 529 A F H X S+ 0 0 50 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.932 112.7 44.1 -59.3 -44.0 10.8 3.1 13.1 453 530 A E H X S+ 0 0 24 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 115.2 46.1 -67.1 -45.1 13.9 1.4 14.4 454 531 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.883 111.7 51.4 -70.8 -36.4 15.6 4.6 15.7 455 532 A T H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.876 106.8 54.0 -68.6 -35.2 12.5 5.9 17.4 456 533 A S H X S+ 0 0 3 -4,-1.6 4,-0.9 -5,-0.3 3,-0.2 0.978 111.4 45.9 -57.5 -54.0 12.0 2.6 19.2 457 534 A K H ><>S+ 0 0 5 -4,-2.0 5,-2.4 1,-0.2 3,-1.3 0.928 112.2 49.5 -55.7 -48.7 15.5 2.8 20.6 458 535 A L H ><5S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.861 102.6 62.9 -59.7 -33.0 15.2 6.5 21.6 459 536 A N H 3<5S+ 0 0 1 -4,-2.0 -177,-0.4 1,-0.3 -1,-0.3 0.766 111.4 37.3 -65.4 -24.3 11.9 5.7 23.4 460 537 A Y T <<5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.069 117.8-107.5-112.5 17.5 13.8 3.4 25.8 461 538 A N T < 5S+ 0 0 122 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.883 76.0 134.3 57.2 43.3 17.0 5.5 26.1 462 539 A R < - 0 0 53 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.710 67.8 -76.9-116.0 169.7 19.1 3.1 24.0 463 540 A D > - 0 0 59 -2,-0.2 3,-1.9 1,-0.2 4,-0.3 -0.489 34.6-153.4 -69.6 115.6 21.5 3.5 21.1 464 541 A P T 3 S+ 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.720 94.1 53.0 -68.5 -15.6 19.5 4.2 17.9 465 542 A L T >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.1 3,-0.9 0.378 76.7 110.4 -96.9 5.5 22.2 2.8 15.7 466 543 A L T <4 S+ 0 0 21 -3,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.885 82.3 38.5 -43.3 -57.9 22.4 -0.5 17.6 467 544 A I T 34 S+ 0 0 19 -4,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.695 111.8 60.3 -76.2 -12.9 21.0 -2.8 14.9 468 545 A F T <4 S+ 0 0 2 -3,-0.9 2,-1.6 1,-0.2 3,-0.3 0.791 91.2 66.8 -82.8 -29.4 22.8 -0.9 12.2 469 546 A E X + 0 0 51 -4,-1.7 4,-0.8 -3,-0.4 -1,-0.2 -0.362 69.1 140.5 -81.6 56.4 26.2 -1.6 13.5 470 547 A F H > + 0 0 15 -2,-1.6 4,-2.9 -3,-0.3 5,-0.3 0.715 46.2 69.6 -81.2 -20.6 25.6 -5.3 12.7 471 548 A E H > S+ 0 0 85 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.942 101.6 44.7 -66.5 -45.3 29.0 -6.6 11.4 472 549 A K H > S+ 0 0 127 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 120.0 41.0 -63.6 -45.7 30.9 -6.4 14.7 473 550 A Y H X S+ 0 0 40 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.882 113.0 51.5 -78.3 -37.4 28.1 -8.0 16.7 474 551 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.867 109.0 53.9 -64.3 -35.2 27.1 -10.7 14.2 475 552 A N H X S+ 0 0 73 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.920 107.7 49.0 -64.3 -42.0 30.7 -11.7 14.0 476 553 A I H X S+ 0 0 60 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 113.6 46.8 -60.6 -46.0 30.9 -12.1 17.7 477 554 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.930 109.9 53.1 -65.3 -43.1 27.7 -14.2 17.7 478 555 A K H X S+ 0 0 61 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.898 110.1 48.0 -56.8 -42.1 28.9 -16.3 14.8 479 556 A N H X S+ 0 0 89 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.872 109.3 52.6 -70.9 -31.4 32.1 -17.1 16.6 480 557 A K H X S+ 0 0 73 -4,-2.1 4,-2.9 2,-0.2 7,-0.2 0.905 107.8 52.1 -66.6 -39.1 30.3 -18.0 19.8 481 558 A I H < S+ 0 0 41 -4,-2.3 6,-0.2 1,-0.2 -2,-0.2 0.914 115.4 42.3 -63.1 -40.7 28.1 -20.4 17.8 482 559 A K H < S+ 0 0 172 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.919 126.6 30.0 -68.5 -42.0 31.3 -22.0 16.4 483 560 A N H < S+ 0 0 115 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.679 104.9 67.9-102.9 -19.0 33.3 -22.1 19.6 484 561 A E S >< S- 0 0 88 -4,-2.9 3,-1.6 -5,-0.2 -1,-0.1 -0.895 82.8-123.7-110.2 110.3 30.9 -22.4 22.6 485 562 A P T 3 S- 0 0 106 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.180 88.7 -2.7 -54.6 133.7 29.1 -25.8 22.8 486 563 A M T 3> S+ 0 0 79 -5,-0.1 4,-3.1 1,-0.1 5,-0.3 0.749 84.0 152.4 59.8 27.6 25.3 -25.6 22.8 487 564 A Y H <> S+ 0 0 34 -3,-1.6 4,-1.3 -7,-0.2 -6,-0.1 0.945 73.3 35.9 -53.1 -54.4 25.4 -21.8 22.8 488 565 A L H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 117.0 54.8 -71.7 -34.0 22.0 -21.3 21.1 489 566 A E H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.901 105.9 50.9 -68.4 -39.9 20.4 -24.3 22.9 490 567 A K H X S+ 0 0 137 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.859 108.8 53.4 -62.6 -34.4 21.4 -23.0 26.3 491 568 A F H X S+ 0 0 22 -4,-1.3 4,-2.9 -5,-0.3 5,-0.3 0.914 109.0 48.0 -69.4 -41.4 19.8 -19.7 25.4 492 569 A V H X>S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-1.9 0.923 112.2 50.0 -63.2 -41.7 16.5 -21.4 24.4 493 570 A E H <>S+ 0 0 84 -4,-2.5 5,-2.4 3,-0.2 -2,-0.2 0.936 116.3 42.0 -63.4 -41.0 16.5 -23.4 27.7 494 571 A K H <5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.932 125.1 30.4 -73.5 -45.6 17.1 -20.3 29.7 495 572 A H H <5S+ 0 0 5 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.579 135.0 18.1 -96.9 -11.3 14.7 -17.8 28.0 496 573 A F T ><5S+ 0 0 2 -4,-1.9 3,-1.0 -5,-0.3 -3,-0.2 0.638 124.1 39.6-118.6 -66.3 12.0 -20.2 26.8 497 574 A I T 3 S+ 0 0 92 1,-0.1 4,-2.2 2,-0.1 -1,-0.2 0.541 90.6 92.4-103.2 -12.9 -23.6 -14.1 21.5 513 590 A Y H > S+ 0 0 53 -215,-0.2 4,-2.0 -3,-0.2 5,-0.2 0.891 85.3 49.2 -54.8 -48.6 -20.5 -12.2 22.5 514 591 A A H > S+ 0 0 42 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.940 113.2 47.4 -62.0 -44.1 -20.8 -9.3 20.1 515 592 A Q H > S+ 0 0 101 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.897 108.4 55.9 -62.3 -41.2 -24.4 -8.6 20.9 516 593 A E H X S+ 0 0 89 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.877 108.8 47.0 -59.9 -40.4 -23.6 -8.8 24.6 517 594 A Q H X S+ 0 0 43 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.910 109.6 52.9 -68.9 -42.3 -21.0 -6.0 24.2 518 595 A E H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 108.5 52.4 -58.7 -39.5 -23.4 -3.9 22.1 519 596 A N H X S+ 0 0 79 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.883 104.4 54.0 -62.3 -42.3 -25.9 -4.3 25.0 520 597 A L H X S+ 0 0 98 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.905 110.9 48.0 -59.0 -38.5 -23.5 -3.1 27.6 521 598 A E H X S+ 0 0 31 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.903 110.0 50.4 -71.5 -41.9 -23.0 -0.0 25.4 522 599 A K H X S+ 0 0 76 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.899 109.5 52.4 -61.0 -37.4 -26.7 0.6 25.0 523 600 A Q H X S+ 0 0 102 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.840 108.3 50.7 -69.4 -32.1 -27.1 0.3 28.7 524 601 A E H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.922 109.7 50.0 -69.4 -41.0 -24.4 2.9 29.2 525 602 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.923 110.8 50.3 -62.3 -41.5 -26.1 5.3 26.8 526 603 A K H X S+ 0 0 61 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 109.0 51.3 -63.2 -40.8 -29.4 4.8 28.6 527 604 A K H X S+ 0 0 106 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.934 109.3 50.7 -59.4 -46.8 -27.7 5.6 32.0 528 605 A R H X S+ 0 0 26 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.918 110.8 48.0 -61.1 -42.4 -26.2 8.7 30.5 529 606 A I H < S+ 0 0 16 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.888 108.7 54.2 -66.3 -41.9 -29.6 9.9 29.2 530 607 A E H < S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.3 46.5 -54.8 -41.3 -31.3 9.1 32.6 531 608 A N H < S+ 0 0 113 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.703 91.4 95.2 -80.7 -21.8 -28.8 11.3 34.3 532 609 A F < - 0 0 40 -4,-1.3 2,-0.1 -3,-0.3 -3,-0.0 -0.542 69.6-141.5 -66.0 132.1 -29.0 14.2 31.8 533 610 A N > - 0 0 79 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.319 32.8 -93.5 -82.9 176.9 -31.5 16.9 33.0 534 611 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.872 125.5 52.6 -66.2 -37.0 -33.7 18.7 30.5 535 612 A Q H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 111.4 48.3 -63.7 -41.0 -31.3 21.6 29.9 536 613 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 106.9 54.8 -68.5 -36.8 -28.5 19.1 29.2 537 614 A K H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.931 110.5 46.3 -62.9 -42.1 -30.6 17.1 26.8 538 615 A E H X S+ 0 0 113 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.886 110.5 53.6 -68.6 -35.7 -31.3 20.2 24.8 539 616 A Q H X S+ 0 0 115 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.895 107.3 51.8 -62.7 -43.6 -27.6 21.2 24.9 540 617 A V H X S+ 0 0 23 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.913 112.2 45.2 -59.2 -44.4 -26.6 17.8 23.5 541 618 A I H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.939 114.5 47.9 -66.7 -43.7 -29.1 18.1 20.6 542 619 A K H X S+ 0 0 134 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 109.7 53.0 -65.4 -37.6 -28.1 21.7 19.8 543 620 A N H X S+ 0 0 51 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.912 106.7 52.9 -67.0 -39.7 -24.4 20.8 20.0 544 621 A F H X S+ 0 0 37 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.921 108.5 50.6 -57.7 -42.3 -25.0 18.1 17.5 545 622 A E H 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15.8 -23.7 -9.5 736 834 A L H X>S+ 0 0 29 -4,-2.0 4,-2.9 1,-0.2 5,-0.6 0.946 111.2 49.1 -60.9 -46.0 16.2 -26.7 -11.8 737 835 A E H X5S+ 0 0 8 -4,-2.1 4,-1.7 1,-0.2 -63,-0.2 0.931 110.0 53.2 -58.1 -41.6 15.8 -29.1 -8.8 738 836 A A H <5S+ 0 0 2 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.880 119.8 30.8 -62.3 -38.1 12.7 -27.2 -7.8 739 837 A V H <5S+ 0 0 0 -4,-1.9 3,-0.2 -5,-0.1 -2,-0.2 0.886 128.2 35.3 -90.0 -44.4 11.0 -27.5 -11.2 740 838 A K H <5S+ 0 0 85 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.852 125.9 35.2 -80.8 -33.2 12.2 -30.8 -12.5 741 839 A E S < + 0 0 21 -71,-2.6 3,-1.8 1,-0.2 -71,-0.2 -0.685 30.3 178.7 -88.8 90.6 7.8 -34.5 -5.6 744 842 A F T 3 S+ 0 0 9 -2,-1.3 -1,-0.2 1,-0.3 74,-0.1 0.536 74.3 71.4 -73.0 -2.7 4.2 -33.9 -6.7 745 843 A S T 3 + 0 0 56 1,-0.1 2,-2.2 -3,-0.1 -1,-0.3 0.451 66.3 114.2 -84.9 1.9 3.2 -37.1 -4.8 746 844 A N <> + 0 0 27 -3,-1.8 4,-1.9 1,-0.2 3,-0.4 -0.416 37.7 169.8 -82.0 76.3 3.7 -35.2 -1.5 747 845 A K H > + 0 0 90 -2,-2.2 4,-2.8 1,-0.2 5,-0.2 0.835 69.2 58.4 -54.9 -41.0 0.1 -35.2 -0.3 748 846 A K H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 109.1 44.8 -62.4 -41.3 0.8 -33.9 3.3 749 847 A K H > S+ 0 0 10 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.914 112.2 52.2 -69.8 -43.8 2.5 -30.8 2.0 750 848 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.931 112.7 45.3 -56.2 -46.4 -0.2 -30.1 -0.6 751 849 A I H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.919 110.3 53.9 -67.3 -37.9 -2.9 -30.4 2.1 752 850 A D H X S+ 0 0 29 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.903 111.3 46.5 -60.0 -45.6 -0.9 -28.2 4.5 753 851 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.949 112.3 49.1 -63.6 -49.4 -0.7 -25.5 1.8 754 852 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.938 111.3 50.4 -58.1 -45.5 -4.4 -25.7 0.9 755 853 A K H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.908 112.1 45.3 -58.3 -47.0 -5.5 -25.5 4.5 756 854 A R H X S+ 0 0 46 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.896 113.9 49.5 -69.8 -33.4 -3.4 -22.5 5.4 757 855 A K H X S+ 0 0 47 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.894 110.3 50.4 -70.7 -36.7 -4.5 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