==== 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 20-MAR-06 2GEU . COMPND 2 MOLECULE: PANTOTHENATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DAS,P.KUMAR,V.BHOR,A.SUROLIA,M.VIJAYAN . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.6 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 0 1 1 3 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A S 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.7 105.3 44.5 -2.0 2 6 A E - 0 0 169 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.370 360.0-136.0 175.2 92.3 102.3 44.7 0.4 3 7 A P - 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.105 16.9-165.7 -59.6 156.5 101.0 41.5 2.0 4 8 A S - 0 0 78 2,-0.2 -2,-0.0 1,-0.0 301,-0.0 -0.947 29.2-128.6-139.6 154.2 97.3 40.6 2.3 5 9 A P S S+ 0 0 52 0, 0.0 300,-3.0 0, 0.0 301,-1.8 0.567 89.2 77.2 -80.4 -8.6 95.5 38.0 4.5 6 10 A Y E -A 304 0A 68 298,-0.3 2,-0.4 299,-0.2 -2,-0.2 -0.578 62.7-155.3-104.2 165.7 93.8 36.8 1.3 7 11 A V E -A 303 0A 48 296,-2.2 296,-3.2 -2,-0.2 2,-0.4 -0.994 19.1-147.2-134.5 129.5 94.8 34.6 -1.7 8 12 A E E -A 302 0A 134 -2,-0.4 2,-0.3 294,-0.2 294,-0.2 -0.834 16.1-163.8-105.5 141.5 92.8 35.2 -4.9 9 13 A F E -A 301 0A 41 292,-3.2 292,-1.2 -2,-0.4 2,-0.3 -0.807 17.4-140.7-124.7 166.1 92.1 32.4 -7.4 10 14 A D E > -A 300 0A 86 -2,-0.3 4,-3.2 290,-0.2 5,-0.3 -0.807 35.6-114.1-113.7 154.4 91.0 31.8 -11.0 11 15 A R H > S+ 0 0 28 288,-1.0 4,-2.9 -2,-0.3 5,-0.2 0.899 120.9 54.4 -59.2 -35.4 88.6 29.0 -11.8 12 16 A R H > S+ 0 0 49 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.924 113.1 41.6 -61.1 -46.1 91.6 27.4 -13.7 13 17 A Q H >4 S+ 0 0 109 2,-0.2 3,-0.6 1,-0.2 4,-0.3 0.930 117.9 44.8 -66.4 -50.3 93.8 27.6 -10.6 14 18 A W H >< S+ 0 0 8 -4,-3.2 3,-2.2 1,-0.2 4,-0.2 0.901 104.6 64.0 -61.3 -43.7 91.1 26.5 -8.1 15 19 A R H >< S+ 0 0 123 -4,-2.9 3,-1.1 -5,-0.3 -1,-0.2 0.827 96.4 60.5 -49.1 -36.1 90.0 23.7 -10.4 16 20 A A G X< S+ 0 0 66 -4,-0.9 3,-0.7 -3,-0.6 -1,-0.3 0.624 87.9 70.7 -71.5 -16.6 93.5 22.2 -9.9 17 21 A L G < S+ 0 0 63 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.417 71.4 91.3 -82.4 3.6 93.1 21.7 -6.2 18 22 A R G X + 0 0 56 -3,-1.1 3,-0.6 1,-0.2 2,-0.2 0.890 62.4 178.6 -63.3 -38.3 90.6 19.0 -6.5 19 23 A M T < - 0 0 112 -3,-0.7 -1,-0.2 1,-0.2 2,-0.1 -0.521 66.8 -33.5 66.4-132.9 93.3 16.3 -6.5 20 24 A S T 3 S+ 0 0 122 -2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 -0.349 85.9 156.0-118.3 58.3 91.6 13.0 -6.8 21 25 A T < - 0 0 12 -3,-0.6 2,-0.1 -2,-0.1 29,-0.1 -0.682 45.2-115.3 -83.1 127.0 88.5 13.8 -4.9 22 26 A P - 0 0 91 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.383 13.8-135.2 -65.1 134.5 85.6 11.5 -5.9 23 27 A L + 0 0 54 1,-0.1 23,-0.1 -2,-0.1 84,-0.0 -0.784 29.7 172.8 -92.8 96.6 82.5 13.0 -7.5 24 28 A A + 0 0 48 -2,-1.1 2,-0.4 86,-0.1 -1,-0.1 0.012 45.1 95.5 -96.2 29.6 79.7 11.3 -5.6 25 29 A L - 0 0 8 17,-0.1 2,-0.1 4,-0.0 20,-0.0 -0.978 61.6-145.9-123.9 129.9 76.8 13.3 -7.1 26 30 A T > - 0 0 53 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.428 28.1-115.8 -84.4 163.0 74.7 12.3 -10.1 27 31 A E H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.765 119.5 55.5 -69.4 -21.9 73.3 14.8 -12.5 28 32 A E H > S+ 0 0 145 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.876 108.2 45.0 -75.8 -40.3 69.9 13.7 -11.3 29 33 A E H > S+ 0 0 71 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.859 109.5 56.1 -71.5 -37.2 70.7 14.5 -7.6 30 34 A L H >X S+ 0 0 3 -4,-2.1 4,-0.8 1,-0.2 3,-0.8 0.885 103.2 55.7 -61.3 -40.2 72.3 17.8 -8.5 31 35 A V H 3< S+ 0 0 81 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.819 104.4 52.7 -63.8 -31.6 69.1 18.9 -10.2 32 36 A G H 3< S+ 0 0 63 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.665 108.5 50.2 -79.1 -15.2 67.0 18.2 -7.0 33 37 A L H << S+ 0 0 42 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.590 92.8 108.7 -94.0 -14.0 69.4 20.4 -5.0 34 38 A R < - 0 0 90 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.0 -0.301 60.6-137.8 -68.6 143.7 69.1 23.2 -7.5 35 39 A G > - 0 0 17 1,-0.1 3,-2.6 61,-0.1 2,-0.1 -0.685 36.2 -81.2-103.3 156.1 67.2 26.5 -6.9 36 40 A L T 3 S+ 0 0 90 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 -0.312 119.1 12.0 -55.4 118.0 64.9 28.4 -9.3 37 41 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.249 94.1 133.7 97.8 -13.5 67.1 30.4 -11.6 38 42 A E < - 0 0 22 -3,-2.6 -1,-0.3 1,-0.1 258,-0.1 -0.483 41.2-162.4 -73.7 140.6 70.3 28.6 -10.7 39 43 A Q + 0 0 116 -2,-0.2 2,-0.3 257,-0.2 -1,-0.1 0.124 35.9 144.7-108.5 19.2 72.6 27.5 -13.5 40 44 A I + 0 0 3 -10,-0.1 2,-0.2 4,-0.1 -6,-0.1 -0.422 22.0 179.0 -70.2 125.9 74.8 25.0 -11.6 41 45 A D >> - 0 0 74 -2,-0.3 4,-1.8 1,-0.0 3,-0.7 -0.700 45.6 -97.7-116.4 170.0 76.0 21.9 -13.5 42 46 A L H 3> S+ 0 0 39 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.785 119.6 64.5 -58.9 -28.3 78.1 18.9 -12.5 43 47 A L H 3> S+ 0 0 84 2,-0.2 4,-3.8 1,-0.2 -1,-0.2 0.923 105.5 42.7 -62.6 -43.3 81.1 20.6 -14.1 44 48 A E H <>>S+ 0 0 9 -3,-0.7 4,-3.0 2,-0.2 5,-1.5 0.872 112.4 53.2 -70.2 -37.4 81.0 23.5 -11.6 45 49 A V H <>S+ 0 0 0 -4,-1.8 5,-0.9 3,-0.2 -1,-0.2 0.911 117.6 39.5 -61.4 -39.5 80.4 21.1 -8.8 46 50 A E H <5S+ 0 0 66 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.965 122.3 40.1 -71.5 -54.1 83.5 19.2 -10.0 47 51 A E H <5S+ 0 0 27 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.728 135.2 12.5 -68.8 -29.7 85.6 22.3 -10.8 48 52 A V T X5S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.2 -3,-0.2 0.771 125.4 45.5-117.6 -52.9 84.6 24.5 -7.8 49 53 A Y H > S+ 0 0 3 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.931 114.5 52.4 -64.1 -42.2 88.3 21.5 -4.0 52 56 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.901 108.9 49.9 -58.4 -42.4 86.2 23.5 -1.5 53 57 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.911 111.2 49.0 -63.9 -42.2 84.9 20.2 -0.0 54 58 A R H X S+ 0 0 77 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.974 110.4 50.4 -60.1 -55.9 88.5 18.9 0.2 55 59 A L H X S+ 0 0 32 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.879 109.0 53.3 -48.7 -45.0 89.7 22.1 1.9 56 60 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.903 109.1 45.6 -62.5 -43.5 86.9 21.9 4.4 57 61 A H H X S+ 0 0 20 -4,-1.9 4,-1.3 -3,-0.3 -1,-0.2 0.856 106.7 60.1 -70.0 -31.3 87.6 18.3 5.6 58 62 A L H X S+ 0 0 100 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.948 112.2 40.4 -57.1 -46.9 91.3 19.1 5.8 59 63 A Q H X S+ 0 0 60 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.693 101.3 69.8 -76.3 -21.3 90.3 21.7 8.4 60 64 A V H X S+ 0 0 29 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.867 107.2 39.6 -65.9 -34.3 87.7 19.7 10.2 61 65 A A H X S+ 0 0 67 -4,-1.3 4,-1.2 -3,-0.4 -2,-0.2 0.920 114.8 52.0 -78.1 -46.5 90.4 17.4 11.6 62 66 A A H X S+ 0 0 62 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.805 111.5 47.9 -59.6 -31.5 92.8 20.2 12.2 63 67 A R H X S+ 0 0 88 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.808 104.1 59.1 -79.8 -31.3 90.2 22.2 14.1 64 68 A Q H X S+ 0 0 49 -4,-1.0 4,-0.6 1,-0.2 -2,-0.2 0.773 100.7 59.1 -66.9 -23.4 89.2 19.1 16.2 65 69 A R H X S+ 0 0 180 -4,-1.2 4,-1.4 2,-0.2 3,-0.3 0.887 100.3 56.1 -69.8 -42.0 92.9 19.1 17.3 66 70 A L H X S+ 0 0 105 -4,-0.8 4,-1.7 1,-0.2 3,-0.4 0.913 105.7 47.6 -58.1 -49.1 92.5 22.7 18.7 67 71 A F H X S+ 0 0 68 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.717 105.9 63.2 -67.4 -18.2 89.6 21.8 21.0 68 72 A A H X S+ 0 0 44 -4,-0.6 4,-3.3 -3,-0.3 -1,-0.2 0.900 101.4 49.0 -70.3 -43.0 91.7 18.8 22.1 69 73 A A H X S+ 0 0 49 -4,-1.4 4,-2.7 -3,-0.4 -2,-0.2 0.932 110.9 48.7 -62.7 -48.0 94.4 21.1 23.5 70 74 A T H X S+ 0 0 85 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.819 115.5 46.7 -61.7 -29.6 91.8 23.2 25.5 71 75 A A H X>S+ 0 0 44 -4,-1.2 5,-1.5 2,-0.2 4,-0.7 0.907 110.4 49.8 -77.8 -45.6 90.4 19.9 26.7 72 76 A E H <5S+ 0 0 150 -4,-3.3 -2,-0.2 3,-0.2 -3,-0.2 0.878 113.1 50.7 -59.7 -37.2 93.8 18.4 27.6 73 77 A F H <5S+ 0 0 171 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.993 111.1 43.2 -63.6 -62.9 94.4 21.7 29.4 74 78 A L H <5S- 0 0 111 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.595 107.7-137.0 -59.4 -7.6 91.2 21.8 31.5 75 79 A G T <5 + 0 0 55 -4,-0.7 -3,-0.2 1,-0.1 -1,-0.1 0.797 43.6 162.0 54.1 35.7 92.1 18.1 31.9 76 80 A E < 0 0 143 -5,-1.5 -1,-0.1 1,-0.2 -5,-0.0 -0.116 360.0 360.0 -74.5 178.3 88.5 16.9 31.3 77 81 A P 0 0 150 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.124 360.0 360.0 -31.1 360.0 87.6 13.3 30.4 78 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 79 85 A P 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.1 85.7 11.6 24.1 80 86 A D + 0 0 106 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.229 360.0 74.8-156.0 -9.4 84.2 9.9 21.0 81 87 A R S S- 0 0 112 3,-0.0 -1,-0.2 81,-0.0 107,-0.0 -0.942 77.4-146.7-117.0 104.0 81.8 12.7 20.0 82 88 A P - 0 0 80 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 -0.030 28.3 -88.2 -64.5 169.6 83.7 15.6 18.4 83 89 A V - 0 0 50 1,-0.1 77,-0.1 -19,-0.1 78,-0.1 -0.686 54.8-105.3 -79.7 129.9 82.8 19.3 18.6 84 90 A P - 0 0 3 0, 0.0 2,-0.9 0, 0.0 107,-0.2 -0.295 28.9-126.8 -56.1 140.4 80.5 20.0 15.7 85 91 A F E -b 191 0A 5 105,-2.1 107,-1.2 128,-0.0 2,-0.5 -0.816 26.3-149.4 -94.8 105.7 82.2 21.9 12.9 86 92 A I E -b 192 0A 0 -2,-0.9 127,-3.2 125,-0.3 128,-1.2 -0.622 14.2-172.2 -81.8 124.0 80.1 25.0 12.3 87 93 A I E -bc 193 214A 0 105,-3.1 107,-3.3 -2,-0.5 2,-0.4 -0.951 7.0-156.5-117.0 131.2 80.0 26.5 8.8 88 94 A G E -bc 194 215A 0 126,-2.4 128,-3.2 -2,-0.5 2,-0.5 -0.883 4.6-167.6-108.1 135.4 78.3 29.7 7.9 89 95 A V E +bc 195 216A 0 105,-2.7 107,-2.4 -2,-0.4 2,-0.3 -0.988 15.0 175.8-120.8 125.3 77.1 30.6 4.5 90 96 A A E + c 0 217A 0 126,-3.0 128,-2.5 -2,-0.5 2,-0.3 -0.896 12.1 124.1-128.7 159.6 76.1 34.2 3.8 91 97 A G E - c 0 218A 0 105,-0.5 128,-0.1 -2,-0.3 108,-0.1 -0.919 53.9 -65.2 166.9 170.0 74.9 36.2 0.9 92 98 A S > - 0 0 2 126,-0.6 3,-1.2 -2,-0.3 5,-0.4 -0.101 63.7 -82.2 -69.4 170.7 72.3 38.5 -0.6 93 99 A V T 3 S+ 0 0 30 1,-0.2 -1,-0.1 178,-0.2 136,-0.1 -0.561 117.1 11.9 -72.6 141.6 68.7 37.4 -1.3 94 100 A A T 3 S+ 0 0 14 -2,-0.2 -1,-0.2 1,-0.1 138,-0.1 0.615 92.0 113.4 67.2 14.0 68.6 35.6 -4.7 95 101 A V S < S- 0 0 0 -3,-1.2 -2,-0.1 123,-0.1 -1,-0.1 0.599 91.5-107.0 -90.3 -11.0 72.3 35.3 -5.0 96 102 A G S > S+ 0 0 6 -4,-0.3 4,-2.5 -5,-0.1 3,-0.5 0.494 74.9 137.0 102.1 5.4 72.1 31.5 -4.7 97 103 A K H > S+ 0 0 26 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 0.869 72.8 56.1 -52.5 -41.2 73.5 30.9 -1.2 98 104 A S H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 109.5 44.8 -60.7 -42.2 70.7 28.4 -0.4 99 105 A T H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 3,-0.3 0.977 112.5 52.1 -64.3 -51.4 71.6 26.3 -3.4 100 106 A T H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.876 109.6 50.7 -48.8 -42.9 75.3 26.6 -2.5 101 107 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.3 0.898 109.7 49.0 -65.0 -41.4 74.5 25.4 1.0 102 108 A R H X S+ 0 0 77 -4,-2.0 4,-2.0 -3,-0.3 -2,-0.2 0.884 113.1 46.0 -66.8 -40.2 72.5 22.4 -0.2 103 109 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.967 111.2 53.3 -65.8 -50.4 75.2 21.2 -2.6 104 110 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.815 108.9 50.4 -54.5 -34.1 77.8 21.8 0.1 105 111 A Q H X S+ 0 0 55 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.946 112.3 44.0 -71.2 -48.1 75.9 19.6 2.5 106 112 A A H X S+ 0 0 16 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.921 113.8 51.8 -61.0 -46.1 75.4 16.7 0.1 107 113 A L H < S+ 0 0 11 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.903 114.0 43.1 -56.7 -46.0 79.1 16.9 -1.0 108 114 A L H < S+ 0 0 0 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.846 107.7 58.1 -71.0 -37.6 80.3 16.8 2.6 109 115 A A H < S+ 0 0 32 -4,-2.4 2,-0.7 1,-0.2 -1,-0.2 0.686 97.7 64.9 -68.9 -18.3 78.0 14.1 3.8 110 116 A R S < S+ 0 0 90 -4,-1.0 2,-0.5 -3,-0.4 -1,-0.2 -0.528 73.4 126.1-104.4 65.0 79.3 11.7 1.2 111 117 A W S > S- 0 0 51 -2,-0.7 3,-5.8 -3,-0.3 -3,-0.0 -0.987 73.8-106.1-128.7 123.2 82.9 11.4 2.5 112 118 A D T 3 S+ 0 0 138 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.560 121.4 50.3 -3.7 -73.5 84.6 8.1 3.3 113 119 A H T 3 S- 0 0 117 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.591 108.5-135.5 -55.8 -9.7 84.4 8.5 7.1 114 120 A H < - 0 0 140 -3,-5.8 -2,-0.1 -6,-0.1 -5,-0.1 0.941 24.6-156.2 51.1 73.6 80.7 9.3 6.4 115 121 A P - 0 0 14 0, 0.0 2,-0.9 0, 0.0 -4,-0.1 -0.132 21.5-115.2 -73.9 166.4 79.8 12.3 8.6 116 122 A R - 0 0 118 72,-0.1 74,-2.9 2,-0.0 75,-1.5 -0.853 40.2-175.9-101.8 92.6 76.4 13.5 10.0 117 123 A V E -d 191 0A 12 -2,-0.9 75,-0.2 73,-0.2 2,-0.2 -0.816 1.9-174.7-103.2 106.4 76.0 16.9 8.2 118 124 A D E -d 192 0A 19 73,-1.7 75,-2.2 -2,-0.7 2,-0.4 -0.483 9.5-154.8 -92.2 163.9 73.0 19.0 9.1 119 125 A L E -d 193 0A 28 73,-0.2 2,-0.4 -2,-0.2 75,-0.2 -0.962 10.4-178.6-143.5 120.6 71.8 22.3 7.6 120 126 A V E -d 194 0A 1 73,-2.9 75,-2.3 -2,-0.4 2,-0.4 -0.970 17.1-144.9-122.1 134.3 69.7 25.0 9.3 121 127 A T E > -d 195 0A 45 -2,-0.4 3,-1.3 73,-0.2 75,-0.2 -0.830 12.6-138.6 -98.0 137.7 68.5 28.1 7.6 122 128 A T G > S+ 0 0 1 73,-2.6 3,-3.2 -2,-0.4 74,-0.1 0.682 90.1 84.3 -68.9 -18.6 68.4 31.2 9.8 123 129 A D G > S+ 0 0 26 72,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.670 78.7 70.4 -60.0 -12.0 65.0 32.4 8.5 124 130 A G G < S+ 0 0 3 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.624 92.6 57.2 -77.4 -12.1 63.5 30.1 11.0 125 131 A F G < S+ 0 0 9 -3,-3.2 23,-3.2 -4,-0.1 -1,-0.3 0.145 80.0 120.2-101.7 16.1 64.7 32.5 13.7 126 132 A L B < S-G 147 0B 12 -3,-1.1 21,-0.2 21,-0.2 3,-0.1 -0.568 75.7-105.6 -77.3 142.1 62.8 35.3 12.1 127 133 A Y - 0 0 36 19,-2.6 -1,-0.1 -2,-0.2 5,-0.1 -0.420 45.7 -95.5 -66.7 148.3 60.2 36.8 14.4 128 134 A P > - 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.206 35.7-106.5 -59.4 156.9 56.6 35.8 13.5 129 135 A N H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 122.1 57.3 -55.1 -33.3 54.7 38.3 11.3 130 136 A A H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.974 107.8 44.8 -60.9 -55.2 52.7 39.2 14.4 131 137 A E H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 111.7 54.8 -57.2 -36.3 55.8 40.1 16.4 132 138 A L H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.7 0.956 108.3 47.0 -64.4 -48.8 57.1 42.0 13.4 133 139 A Q H ><5S+ 0 0 119 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.928 110.8 53.1 -57.2 -44.5 54.0 44.2 13.1 134 140 A R H 3<5S+ 0 0 177 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.889 115.6 39.6 -58.3 -38.9 54.1 44.8 16.8 135 141 A R H 3<5S- 0 0 100 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.408 113.7-120.0 -90.5 0.8 57.7 46.0 16.4 136 142 A N T <<5S+ 0 0 120 -3,-1.1 -3,-0.2 -4,-0.7 3,-0.1 0.894 75.9 124.2 62.4 43.8 56.9 47.8 13.1 137 143 A L > < + 0 0 25 -5,-2.5 3,-2.0 -8,-0.1 6,-0.2 0.240 24.7 108.2-117.9 11.2 59.4 45.7 11.1 138 144 A M G > S+ 0 0 54 -6,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.872 86.2 49.8 -56.6 -35.1 57.3 44.2 8.3 139 145 A H G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.498 111.9 51.5 -80.2 -4.8 59.0 46.6 5.9 140 146 A R G X S+ 0 0 70 -3,-2.0 3,-2.0 3,-0.1 2,-0.5 -0.005 71.1 149.7-122.2 28.9 62.3 45.5 7.3 141 147 A K T < S+ 0 0 19 -3,-0.9 -3,-0.1 1,-0.3 -15,-0.0 -0.490 70.5 29.9 -66.9 113.6 62.0 41.7 7.1 142 148 A G T 3 S+ 0 0 6 1,-0.6 -1,-0.3 -2,-0.5 5,-0.0 0.098 89.6 118.3 123.2 -22.0 65.5 40.4 6.6 143 149 A F S X S- 0 0 4 -3,-2.0 3,-2.1 -6,-0.2 -1,-0.6 -0.399 82.8-102.9 -72.9 155.6 67.4 43.1 8.5 144 150 A P G > S+ 0 0 6 0, 0.0 3,-0.8 0, 0.0 5,-0.3 0.754 120.6 58.4 -49.5 -28.9 69.4 42.0 11.5 145 151 A E G 3 S+ 0 0 60 1,-0.2 -4,-0.1 -5,-0.1 4,-0.1 0.701 93.1 65.7 -77.0 -21.2 66.6 43.3 13.8 146 152 A S G < S+ 0 0 0 -3,-2.1 -19,-2.6 -6,-0.3 2,-0.3 0.499 92.2 78.6 -79.6 -5.7 63.9 41.1 12.3 147 153 A Y B < S-G 126 0B 8 -3,-0.8 2,-1.4 -4,-0.4 -21,-0.2 -0.710 85.5-122.5-102.7 155.6 65.7 38.0 13.7 148 154 A N > + 0 0 49 -23,-3.2 4,-2.4 -2,-0.3 5,-0.2 -0.658 36.9 173.9 -93.8 74.9 65.6 36.6 17.2 149 155 A R H > S+ 0 0 95 -2,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.754 74.1 60.2 -56.9 -25.7 69.4 36.7 17.6 150 156 A R H > S+ 0 0 206 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.982 110.2 40.6 -64.8 -54.8 69.1 35.7 21.2 151 157 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.860 114.1 53.6 -60.0 -40.3 67.4 32.5 20.3 152 158 A L H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.939 108.9 48.5 -61.9 -47.1 69.8 32.0 17.3 153 159 A M H X S+ 0 0 39 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.927 110.1 52.4 -59.0 -46.6 72.8 32.3 19.5 154 160 A R H X S+ 0 0 194 -4,-2.3 4,-3.8 1,-0.2 5,-0.2 0.962 108.5 51.2 -52.5 -56.4 71.4 29.9 22.1 155 161 A F H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.910 114.3 40.7 -46.6 -58.0 70.8 27.3 19.4 156 162 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.911 116.1 50.2 -63.0 -42.8 74.3 27.4 18.0 157 163 A T H X S+ 0 0 56 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.963 111.4 50.0 -58.8 -49.9 75.9 27.6 21.4 158 164 A S H <>S+ 0 0 51 -4,-3.8 5,-1.7 -5,-0.3 -2,-0.2 0.886 112.8 46.2 -55.1 -44.7 73.8 24.6 22.5 159 165 A V H ><5S+ 0 0 4 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 0.936 112.2 48.0 -67.8 -46.2 74.8 22.5 19.4 160 166 A K H 3<5S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.686 100.5 67.6 -69.9 -15.9 78.5 23.3 19.6 161 167 A S T 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.455 122.6-105.3 -79.6 -1.9 78.5 22.4 23.3 162 168 A G T < 5 - 0 0 27 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.711 53.9-177.7 84.2 21.5 77.7 18.9 22.3 163 169 A S < - 0 0 35 -5,-1.7 25,-1.0 -6,-0.2 -1,-0.2 -0.261 28.3-135.6 -54.7 137.2 74.1 19.1 23.3 164 170 A D S S+ 0 0 105 1,-0.2 24,-0.4 23,-0.1 2,-0.4 0.940 88.5 12.3 -59.1 -51.4 72.3 15.7 22.8 165 171 A Y + 0 0 121 22,-0.2 2,-0.3 23,-0.0 -1,-0.2 -0.986 66.1 166.4-132.2 138.9 69.3 17.4 21.3 166 172 A A E -H 186 0C 6 20,-1.1 20,-3.6 -2,-0.4 2,-0.3 -0.958 13.8-170.3-150.0 131.6 68.8 21.0 20.0 167 173 A X E -H 185 0C 85 -2,-0.3 18,-0.3 18,-0.3 -2,-0.0 -0.922 6.7-156.0-131.3 157.2 65.9 22.1 17.9 168 174 A A E -H 184 0C 0 16,-2.7 16,-2.9 -2,-0.3 -43,-0.1 -0.868 27.5 -98.1-127.0 159.9 65.0 25.3 15.9 169 175 A P E -H 183 0C 37 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.187 38.1-122.1 -69.8 169.5 61.7 26.9 14.7 170 176 A V E - 0 0 40 12,-0.5 9,-2.8 9,-0.4 2,-0.4 -0.964 15.9-153.3-123.7 129.8 60.5 26.4 11.1 171 177 A Y E -H 178 0C 28 -2,-0.4 2,-0.6 7,-0.3 7,-0.2 -0.807 5.8-148.9-101.2 136.8 59.8 29.1 8.5 172 178 A S E >> -H 177 0C 14 5,-3.1 5,-1.2 -2,-0.4 4,-0.8 -0.899 8.3-170.4-104.0 113.3 57.4 28.7 5.6 173 179 A H T 45S+ 0 0 140 -2,-0.6 74,-0.2 2,-0.2 -1,-0.2 0.841 90.5 56.8 -68.8 -28.8 58.3 30.6 2.5 174 180 A L T 45S+ 0 0 43 1,-0.2 73,-2.2 -3,-0.1 74,-0.3 0.964 115.3 33.0 -65.9 -51.5 54.9 29.7 1.1 175 181 A H T 45S- 0 0 83 2,-0.2 -1,-0.2 71,-0.2 -2,-0.2 0.435 102.5-131.5 -85.7 1.2 53.0 31.3 4.0 176 182 A Y T <5S+ 0 0 53 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.773 77.2 73.0 55.7 29.2 55.6 34.0 4.5 177 183 A D E - 0 0 68 -9,-2.8 3,-1.7 -2,-0.3 -9,-0.4 -0.577 30.1-117.4 -74.9 121.0 55.0 27.5 11.1 180 186 A P E 3 S- 0 0 126 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.374 92.7 -1.2 -61.2 123.8 53.1 27.0 14.4 181 187 A G E 3 S+ 0 0 82 1,-0.2 2,-0.3 -2,-0.2 -2,-0.0 0.567 95.1 137.8 75.2 10.3 54.4 24.0 16.3 182 188 A A E < - 0 0 26 -3,-1.7 -12,-0.5 -12,-0.2 2,-0.4 -0.706 28.8-175.2 -92.0 139.2 57.1 23.1 13.8 183 189 A E E -H 169 0C 112 -2,-0.3 2,-0.6 -14,-0.2 -13,-0.0 -0.995 22.6-151.7-136.8 140.9 60.6 22.1 14.9 184 190 A Q E -H 168 0C 55 -16,-2.9 -16,-2.7 -2,-0.4 2,-0.4 -0.953 25.7-153.3-108.2 114.5 63.8 21.2 13.2 185 191 A V E -H 167 0C 46 -2,-0.6 2,-0.5 -18,-0.3 -18,-0.3 -0.765 10.9-168.8 -94.7 134.8 65.7 18.8 15.5 186 192 A V E -H 166 0C 1 -20,-3.6 -20,-1.1 -2,-0.4 2,-0.6 -0.955 2.3-167.8-124.6 111.8 69.5 18.6 15.4 187 193 A R - 0 0 131 -2,-0.5 -22,-0.2 -22,-0.2 -23,-0.1 -0.898 61.9 -51.8-105.4 118.1 71.2 15.8 17.3 188 194 A H S S- 0 0 70 -25,-1.0 -1,-0.1 -2,-0.6 -72,-0.1 0.696 73.3-167.1 19.4 71.7 75.0 16.0 17.8 189 195 A P - 0 0 4 0, 0.0 -72,-0.2 0, 0.0 3,-0.2 -0.277 26.9-137.3 -75.2 163.9 76.0 16.6 14.1 190 196 A D S S+ 0 0 59 -74,-2.9 -105,-2.1 1,-0.4 2,-0.3 0.753 94.8 15.3 -90.8 -28.5 79.5 16.3 12.9 191 197 A I E -bd 85 117A 2 -75,-1.5 -73,-1.7 -107,-0.2 2,-0.5 -0.961 69.3-161.9-148.4 125.2 79.1 19.5 10.8 192 198 A L E -bd 86 118A 1 -107,-1.2 -105,-3.1 -2,-0.3 2,-0.6 -0.944 7.1-156.7-113.0 123.4 76.4 22.1 11.1 193 199 A I E -bd 87 119A 0 -75,-2.2 -73,-2.9 -2,-0.5 2,-0.6 -0.898 5.0-165.0-103.2 119.8 75.8 24.4 8.2 194 200 A L E -bd 88 120A 0 -107,-3.3 -105,-2.7 -2,-0.6 2,-0.5 -0.916 8.7-171.3-103.9 118.8 74.1 27.7 9.1 195 201 A E E +bd 89 121A 8 -75,-2.3 -73,-2.6 -2,-0.6 -72,-0.4 -0.945 23.8 119.0-117.7 126.7 72.7 29.6 6.0 196 202 A G - 0 0 2 -107,-2.4 -105,-0.5 -2,-0.5 4,-0.2 -0.988 65.4-111.7-171.9 166.4 71.4 33.1 6.2 197 203 A L S S+ 0 0 17 -2,-0.3 3,-0.3 -107,-0.2 -106,-0.2 0.890 117.9 40.7 -71.1 -38.5 71.6 36.7 5.0 198 204 A N S > S+ 0 0 15 1,-0.2 3,-1.7 -3,-0.1 -1,-0.2 0.473 81.4 103.1 -86.5 -14.7 72.6 37.7 8.5 199 205 A V T 3 S+ 0 0 3 -110,-0.3 -1,-0.2 1,-0.2 10,-0.1 0.726 76.4 54.3 -50.5 -33.6 75.0 35.0 9.7 200 206 A L T 3 S+ 0 0 3 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.439 78.6 131.5 -84.3 2.4 78.4 36.8 9.3 201 207 A Q < - 0 0 42 -3,-1.7 8,-0.6 1,-0.1 2,-0.3 -0.182 39.3-161.3 -55.1 140.4 77.3 39.8 11.5 202 208 A T + 0 0 74 7,-0.1 4,-0.1 6,-0.1 3,-0.1 -0.818 18.7 146.9-121.1 163.9 79.7 41.0 14.2 203 209 A G - 0 0 35 2,-0.3 4,-0.1 -2,-0.3 0, 0.0 -0.890 56.0 -60.0-167.9-162.0 79.0 43.1 17.3 204 210 A P S S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.972 113.3 42.2 -65.8 -56.6 79.6 44.2 20.9 205 211 A T S S- 0 0 102 1,-0.2 -2,-0.3 -3,-0.1 2,-0.0 -0.366 109.1 -75.1 -87.5 168.6 78.7 40.9 22.4 206 212 A L - 0 0 103 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.370 58.1-169.5 -61.2 141.6 79.6 37.4 21.2 207 213 A M > - 0 0 26 -4,-0.1 3,-1.4 -3,-0.1 4,-0.4 -0.808 39.6 -94.1-131.9 172.4 77.6 36.4 18.1 208 214 A V G > S+ 0 0 11 -2,-0.3 3,-2.0 1,-0.3 4,-0.4 0.871 121.0 62.1 -53.4 -38.1 76.9 33.4 16.0 209 215 A S G > S+ 0 0 21 -8,-0.6 3,-1.0 1,-0.3 -1,-0.3 0.809 95.3 61.0 -59.7 -30.8 79.7 34.5 13.7 210 216 A D G < S+ 0 0 80 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.599 102.0 53.9 -71.4 -12.1 82.2 34.1 16.5 211 217 A L G < S+ 0 0 32 -3,-2.0 -125,-0.3 -4,-0.4 -1,-0.2 0.504 84.2 108.7-100.6 -4.9 81.3 30.4 16.8 212 218 A F < - 0 0 22 -3,-1.0 -125,-0.2 -4,-0.4 3,-0.1 -0.364 48.8-165.4 -71.0 150.9 81.9 29.5 13.1 213 219 A D S S+ 0 0 7 -127,-3.2 2,-0.3 1,-0.4 -126,-0.2 0.528 80.4 7.8-109.0 -13.9 84.9 27.4 12.1 214 220 A F E -c 87 0A 2 -128,-1.2 -126,-2.4 2,-0.0 -1,-0.4 -0.944 69.1-159.5-164.5 143.9 84.6 28.3 8.4 215 221 A S E -c 88 0A 10 -2,-0.3 73,-3.0 -128,-0.2 72,-0.5 -0.993 4.7-159.5-141.3 138.3 82.5 30.8 6.4 216 222 A L E -ce 89 288A 0 -128,-3.2 -126,-3.0 -2,-0.4 2,-0.5 -0.920 2.2-166.3-113.5 135.9 81.4 31.2 2.8 217 223 A Y E -ce 90 289A 2 71,-2.7 73,-1.9 -2,-0.4 2,-0.9 -0.967 11.6-151.8-122.1 111.6 80.2 34.4 1.3 218 224 A V E -ce 91 290A 1 -128,-2.5 -126,-0.6 -2,-0.5 2,-0.3 -0.751 26.5-172.7 -85.6 110.5 78.5 34.0 -2.1 219 225 A D E + e 0 291A 8 71,-2.7 73,-3.6 -2,-0.9 2,-0.3 -0.764 17.3 155.9-111.1 151.6 79.1 37.3 -3.9 220 226 A A - 0 0 5 -2,-0.3 2,-0.2 71,-0.2 73,-0.1 -0.948 52.9 -68.6-156.8 170.0 78.0 38.9 -7.2 221 227 A R >> - 0 0 117 71,-0.4 4,-2.1 -2,-0.3 3,-1.0 -0.512 41.2-131.0 -68.3 132.1 77.6 42.3 -8.7 222 228 A I H 3> S+ 0 0 32 1,-0.3 4,-1.7 -2,-0.2 -1,-0.2 0.841 110.3 52.1 -52.7 -33.9 74.8 44.2 -7.0 223 229 A E H 3> S+ 0 0 100 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.810 107.8 51.3 -73.9 -29.7 73.4 45.0 -10.4 224 230 A D H <> S+ 0 0 23 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.833 107.4 52.5 -75.9 -32.5 73.4 41.4 -11.4 225 231 A I H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.917 103.5 56.3 -70.0 -40.9 71.6 40.3 -8.3 226 232 A E H X S+ 0 0 53 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.899 109.4 49.1 -55.0 -38.2 68.8 42.8 -8.9 227 233 A Q H X S+ 0 0 97 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.928 111.2 46.9 -66.7 -46.1 68.4 41.1 -12.3 228 234 A W H X S+ 0 0 23 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.924 113.4 51.0 -61.6 -42.9 68.3 37.6 -10.9 229 235 A Y H X S+ 0 0 25 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.952 111.6 44.5 -58.7 -55.6 65.8 38.8 -8.3 230 236 A V H X S+ 0 0 8 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.910 114.3 51.8 -56.8 -44.0 63.5 40.4 -10.7 231 237 A S H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.7 46.2 -57.7 -51.7 63.8 37.4 -13.0 232 238 A R H X S+ 0 0 73 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.906 109.8 55.4 -58.3 -44.3 62.9 34.9 -10.2 233 239 A F H >< S+ 0 0 11 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.937 108.5 47.6 -53.8 -51.6 60.0 37.1 -9.1 234 240 A L H >< S+ 0 0 34 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.860 111.9 50.9 -59.3 -36.8 58.6 37.0 -12.7 235 241 A A H >< S+ 0 0 41 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.683 97.4 67.2 -76.7 -18.3 59.0 33.2 -12.7 236 242 A M T <<>S+ 0 0 43 -4,-1.4 5,-2.6 -3,-0.8 6,-0.6 0.485 79.6 81.1 -81.6 0.6 57.3 32.7 -9.4 237 243 A R T < 5S+ 0 0 39 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.807 101.9 35.4 -72.0 -29.2 54.0 33.8 -10.9 238 244 A T T < 5S+ 0 0 117 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.353 129.5 31.5-106.2 4.4 53.6 30.3 -12.4 239 245 A T T >5S+ 0 0 70 -3,-0.2 4,-0.6 -4,-0.2 -3,-0.1 0.500 128.5 6.7-120.6 -90.7 55.2 28.4 -9.5 240 246 A A T >45S+ 0 0 33 1,-0.2 3,-1.2 2,-0.2 6,-0.2 0.920 129.8 48.7 -66.2 -49.5 55.0 29.6 -5.9 241 247 A F T 34 S+ 0 0 46 -74,-0.3 3,-1.4 1,-0.2 4,-0.5 -0.178 70.7 128.2-107.6 40.4 51.8 36.5 -2.5 249 255 A H G X> + 0 0 80 -3,-1.4 3,-1.2 1,-0.3 4,-0.5 0.807 64.2 68.3 -64.5 -28.9 49.1 34.9 -4.6 250 256 A H G 34 S+ 0 0 107 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.714 92.4 61.0 -64.0 -19.3 47.9 38.3 -5.8 251 257 A Y G X4 S+ 0 0 37 -3,-1.4 3,-1.3 1,-0.2 -1,-0.3 0.724 84.8 76.0 -78.6 -24.3 51.2 38.6 -7.7 252 258 A A T <4 S+ 0 0 28 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.853 94.5 51.0 -56.5 -35.3 50.5 35.6 -9.8 253 259 A A T 3< S+ 0 0 91 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.602 85.3 113.8 -79.6 -13.6 48.0 37.6 -11.9 254 260 A F < - 0 0 53 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.0 -0.173 67.2-120.9 -57.4 152.7 50.5 40.5 -12.5 255 261 A S > - 0 0 49 1,-0.1 4,-2.9 0, 0.0 5,-0.3 -0.538 31.6 -98.9 -91.5 161.6 51.6 41.1 -16.1 256 262 A D H > S+ 0 0 105 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.902 126.4 50.3 -45.1 -42.9 55.3 41.0 -17.1 257 263 A S H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.966 112.6 40.1 -61.5 -60.7 55.1 44.8 -16.9 258 264 A Q H > S+ 0 0 104 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.912 113.7 56.9 -55.8 -46.8 53.5 45.2 -13.4 259 265 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.921 104.5 50.4 -52.6 -50.9 55.6 42.4 -12.0 260 266 A V H X S+ 0 0 35 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.873 112.8 48.1 -58.4 -36.7 58.9 44.0 -13.0 261 267 A V H X S+ 0 0 101 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.977 114.0 44.7 -66.0 -55.1 57.7 47.3 -11.4 262 268 A A H X S+ 0 0 17 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.917 113.6 51.2 -53.9 -48.4 56.7 45.5 -8.2 263 269 A A H X S+ 0 0 0 -4,-3.3 4,-1.5 -5,-0.2 -1,-0.2 0.904 110.8 47.8 -58.1 -44.4 59.9 43.5 -8.1 264 270 A R H X S+ 0 0 121 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.855 109.1 54.5 -67.4 -33.8 62.1 46.5 -8.5 265 271 A E H X S+ 0 0 85 -4,-2.3 4,-1.8 1,-0.2 5,-0.3 0.980 109.0 45.7 -62.7 -56.2 60.2 48.4 -5.8 266 272 A I H X>S+ 0 0 39 -4,-2.2 4,-2.2 1,-0.2 5,-1.4 0.815 113.5 54.5 -56.0 -31.3 60.7 45.7 -3.2 267 273 A W H <>S+ 0 0 1 -4,-1.5 5,-3.7 -5,-0.2 -2,-0.2 0.980 112.5 35.9 -69.8 -59.2 64.4 45.5 -4.2 268 274 A R H <5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.691 123.5 48.6 -68.7 -17.3 65.5 49.1 -3.9 269 275 A T H <5S- 0 0 63 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.831 132.0 -1.8 -90.7 -40.2 63.3 49.5 -0.9 270 276 A I T X5S+ 0 0 33 -4,-2.2 4,-1.7 -5,-0.3 -3,-0.2 0.751 129.7 40.9-118.6 -59.5 64.1 46.5 1.3 271 277 A N H > S+ 0 0 29 0, 0.0 4,-3.4 0, 0.0 5,-0.4 0.937 113.5 49.5 -55.0 -46.4 69.5 48.6 1.5 274 280 A N H X>S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 5,-1.7 0.881 111.6 49.0 -60.0 -40.8 69.9 45.5 3.6 275 281 A L H <>S+ 0 0 3 -4,-2.0 5,-3.3 3,-0.2 4,-0.5 0.982 118.8 37.5 -62.2 -59.6 72.5 44.2 1.2 276 282 A V H <5S+ 0 0 61 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.1 0.946 124.1 40.3 -57.0 -56.2 74.6 47.4 1.1 277 283 A E H <5S+ 0 0 107 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.905 134.3 6.4 -64.0 -47.7 74.1 48.3 4.8 278 284 A N T <5S+ 0 0 45 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.785 126.6 42.2-112.5 -34.4 74.4 45.0 6.6 279 285 A I T > - 0 0 48 4,-3.2 3,-3.8 -2,-0.3 4,-0.1 -0.583 36.5 -92.3 -99.5 164.7 79.3 36.2 -12.8 294 300 A A T 3 S+ 0 0 53 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.755 128.2 57.0 -44.8 -30.0 76.3 37.6 -14.5 295 301 A D T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.346 123.1-106.3 -86.2 7.5 75.6 34.2 -16.0 296 302 A H S < S+ 0 0 24 -3,-3.8 2,-0.3 1,-0.3 -2,-0.2 0.424 77.1 140.5 82.0 1.2 75.6 32.7 -12.4 297 303 A S - 0 0 20 -4,-0.1 -4,-3.2 -5,-0.1 2,-0.9 -0.559 54.3-130.9 -80.6 137.3 79.0 31.2 -13.1 298 304 A I E + F 0 292A 0 -2,-0.3 -6,-0.2 -6,-0.3 3,-0.1 -0.783 41.9 153.8 -88.7 108.1 81.6 31.1 -10.3 299 305 A N E + 0 0 53 -8,-1.3 -288,-1.0 -2,-0.9 2,-0.3 0.520 55.8 42.8-113.8 -8.3 84.8 32.5 -11.9 300 306 A R E -AF 10 291A 92 -9,-1.2 -9,-2.3 -290,-0.2 2,-0.4 -0.994 57.7-168.2-139.9 145.8 86.8 34.0 -9.0 301 307 A L E -AF 9 290A 2 -292,-1.2 -292,-3.2 -2,-0.3 2,-0.5 -0.999 6.2-160.5-136.2 137.2 87.5 32.9 -5.4 302 308 A R E -AF 8 289A 38 -13,-1.9 -13,-2.1 -2,-0.4 2,-0.4 -0.964 13.9-168.3-119.6 116.1 89.0 34.8 -2.5 303 309 A L E -AF 7 288A 29 -296,-3.2 -296,-2.2 -2,-0.5 2,-0.8 -0.847 22.5-129.0-108.6 142.6 90.5 32.7 0.3 304 310 A R E +A 6 0A 99 -17,-2.2 -298,-0.3 -2,-0.4 -17,-0.0 -0.777 26.3 175.9 -86.9 108.6 91.6 33.9 3.8 305 311 A K 0 0 164 -300,-3.0 -299,-0.2 -2,-0.8 -1,-0.2 0.812 360.0 360.0 -81.1 -32.1 95.1 32.5 4.3 306 312 A L 0 0 152 -301,-1.8 -300,-0.1 -3,-0.1 -2,-0.1 0.720 360.0 360.0-115.8 360.0 95.4 34.4 7.6