==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-NOV-12 4HYV . COMPND 2 MOLECULE: PYRUVATE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR W.ZHONG,H.P.MORGAN,I.W.MCNAE,P.A.M.MICHELS,L.A.FOTHERGILL-GI . 996 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 7.8 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 2 4 6 2 0 2 2 1 5 0 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 14 4 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 . 3 3 1 3 2 4 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 . 2 0 0 2 1 1 0 2 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 2 A S > 0 0 74 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 162.2 -53.0 -46.3 33.4 2 3 A Q H > + 0 0 107 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.894 360.0 54.7 -59.1 -40.3 -54.7 -42.9 33.5 3 4 A L H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 108.2 45.9 -62.3 -47.5 -51.8 -41.6 31.3 4 5 A E H > S+ 0 0 107 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.857 112.9 51.1 -65.3 -38.4 -52.3 -44.2 28.7 5 6 A H H >< S+ 0 0 46 -4,-2.1 3,-1.1 1,-0.2 4,-0.5 0.953 109.2 52.7 -61.8 -43.2 -56.1 -43.6 28.7 6 7 A N H >< S+ 0 0 4 -4,-3.2 3,-1.6 1,-0.3 -2,-0.2 0.878 102.8 54.6 -60.8 -43.6 -55.5 -39.8 28.4 7 8 A I H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.713 106.3 55.3 -69.9 -16.2 -53.3 -40.0 25.3 8 9 A G T << S+ 0 0 63 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.499 82.0 116.2 -87.5 -12.4 -56.0 -42.0 23.6 9 10 A L < - 0 0 27 -3,-1.6 2,-0.4 -4,-0.5 347,-0.1 -0.365 46.3-163.9 -60.4 146.8 -58.8 -39.3 24.2 10 11 A S - 0 0 41 -2,-0.1 3,-0.5 1,-0.1 766,-0.1 -0.979 25.2-156.2-131.7 142.4 -60.3 -37.6 21.1 11 12 A I S S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.2 765,-0.0 0.406 94.1 63.2 -89.7 0.1 -62.4 -34.5 20.8 12 13 A F S S+ 0 0 94 2,-0.1 -1,-0.2 733,-0.0 3,-0.1 0.362 78.0 98.2-106.3 -6.1 -63.9 -35.8 17.5 13 14 A E S S- 0 0 124 -3,-0.5 -4,-0.0 1,-0.1 -3,-0.0 -0.634 85.0 -97.3 -75.7 151.9 -65.7 -38.9 18.8 14 15 A P - 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.356 43.6-126.7 -57.8 145.2 -69.5 -38.9 19.5 15 16 A V - 0 0 54 1,-0.2 337,-0.1 -3,-0.1 336,-0.0 -0.541 37.3 -71.0 -90.1 165.0 -70.2 -38.3 23.2 16 17 A A - 0 0 34 335,-0.4 -1,-0.2 -2,-0.2 339,-0.1 -0.147 35.9-146.0 -47.7 143.7 -72.4 -40.4 25.4 17 18 A K S S+ 0 0 170 1,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.722 82.2 54.4 -88.5 -20.8 -76.2 -40.1 24.7 18 19 A H S S- 0 0 53 333,-0.1 2,-0.4 451,-0.0 -1,-0.2 -0.941 81.8-132.7-125.5 114.8 -77.4 -40.5 28.2 19 20 A R - 0 0 58 -2,-0.6 417,-0.1 1,-0.2 332,-0.1 -0.490 18.0-172.5 -72.2 125.0 -76.1 -38.2 30.9 20 21 A A + 0 0 7 -2,-0.4 416,-3.5 330,-0.1 417,-0.2 0.870 60.4 75.0 -86.5 -35.6 -75.2 -40.2 34.0 21 22 A N S S- 0 0 2 414,-0.2 2,-0.4 326,-0.1 305,-0.2 -0.247 73.6-130.9 -81.7 166.0 -74.4 -37.3 36.5 22 23 A R E -a 326 0A 19 303,-2.0 305,-2.3 411,-0.1 2,-0.5 -0.892 6.4-140.5-129.1 145.3 -77.1 -35.2 38.2 23 24 A I E -ab 327 45A 0 21,-0.6 23,-2.9 -2,-0.4 24,-1.4 -0.915 6.7-162.2-113.0 125.4 -77.6 -31.5 38.6 24 25 A V E -ab 328 47A 0 303,-2.4 305,-2.5 -2,-0.5 2,-0.5 -0.888 13.1-164.9-102.1 125.4 -78.9 -29.8 41.7 25 26 A C E -ab 329 48A 0 22,-2.6 24,-2.9 -2,-0.5 2,-0.4 -0.949 15.6-134.5-114.1 131.8 -80.2 -26.2 41.2 26 27 A T E - b 0 49A 6 303,-1.8 2,-0.3 -2,-0.5 24,-0.2 -0.636 25.1-134.1 -77.8 129.5 -80.9 -23.6 43.9 27 28 A I + 0 0 13 22,-2.4 24,-0.4 -2,-0.4 307,-0.2 -0.681 41.2 136.6 -87.0 134.8 -84.3 -21.8 43.5 28 29 A G S >> S- 0 0 5 305,-0.4 4,-1.4 -2,-0.3 3,-1.4 -0.780 70.4 -53.2-149.2-155.9 -84.6 -18.0 43.8 29 30 A P T 34 S+ 0 0 113 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.882 131.2 55.0 -62.4 -35.5 -86.3 -15.1 42.0 30 31 A S T 34 S+ 0 0 40 304,-1.8 305,-0.2 1,-0.2 304,-0.1 0.747 124.1 23.6 -57.9 -28.2 -84.8 -16.1 38.7 31 32 A T T <4 S+ 0 0 1 -3,-1.4 -1,-0.2 303,-0.5 9,-0.1 0.407 89.5 95.3-132.6 3.5 -86.2 -19.5 38.9 32 33 A Q < + 0 0 30 -4,-1.4 -2,-0.1 -3,-0.3 34,-0.1 0.762 60.2 96.7 -79.8 -26.2 -89.3 -19.8 41.2 33 34 A S S > S- 0 0 63 -4,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.299 81.6-120.5 -62.8 147.3 -92.1 -19.5 38.6 34 35 A V H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 116.4 50.8 -50.3 -46.2 -93.7 -22.6 37.3 35 36 A E H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 111.2 46.3 -59.5 -48.3 -92.7 -21.6 33.8 36 37 A A H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.890 112.4 51.5 -67.3 -33.1 -89.0 -21.0 34.9 37 38 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.911 105.5 54.7 -68.5 -45.3 -89.0 -24.3 36.8 38 39 A K H X S+ 0 0 26 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.905 110.1 47.8 -49.0 -42.3 -90.2 -26.2 33.7 39 40 A N H X S+ 0 0 46 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.835 109.5 51.5 -76.0 -32.2 -87.4 -24.8 31.7 40 41 A L H X>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 4,-1.0 0.892 112.0 48.0 -65.2 -42.5 -84.9 -25.6 34.4 41 42 A M H ><5S+ 0 0 10 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.956 111.8 48.8 -64.9 -43.9 -86.2 -29.2 34.4 42 43 A K H 3<5S+ 0 0 134 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.0 54.5 -61.4 -32.0 -86.0 -29.2 30.6 43 44 A S H 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.666 133.9 -86.0 -79.5 -21.9 -82.5 -27.9 30.8 44 45 A G T <<5 + 0 0 7 -4,-1.0 -21,-0.6 -3,-1.0 2,-0.3 0.531 69.8 153.7 131.8 10.4 -81.5 -30.8 33.2 45 46 A M E < +b 23 0A 3 -5,-2.6 -1,-0.3 1,-0.2 -21,-0.2 -0.547 10.0 172.9 -60.3 129.9 -82.3 -29.9 36.8 46 47 A S E + 0 0 16 -23,-2.9 33,-2.1 -2,-0.3 2,-0.4 0.636 67.3 31.7-107.7 -25.6 -82.9 -33.2 38.8 47 48 A V E -bc 24 79A 1 -24,-1.4 -22,-2.6 31,-0.2 2,-0.5 -0.998 67.7-146.8-137.9 132.9 -83.2 -31.7 42.3 48 49 A A E -bc 25 80A 0 31,-2.5 33,-3.2 -2,-0.4 2,-0.5 -0.862 17.8-153.6 -98.7 125.7 -84.5 -28.3 43.4 49 50 A R E -bc 26 81A 18 -24,-2.9 -22,-2.4 -2,-0.5 2,-0.6 -0.872 4.1-157.9-104.0 127.3 -82.8 -26.9 46.5 50 51 A M E - c 0 82A 2 31,-2.8 33,-3.0 -2,-0.5 2,-1.0 -0.939 11.5-147.5-100.8 125.4 -84.5 -24.5 48.8 51 52 A N E > - c 0 83A 36 -2,-0.6 3,-1.8 -24,-0.4 33,-0.2 -0.744 9.7-168.7 -98.7 100.6 -82.0 -22.5 50.8 52 53 A F T 3 S+ 0 0 2 31,-2.9 33,-0.4 -2,-1.0 -1,-0.1 0.314 72.2 90.5 -80.7 9.4 -83.5 -21.8 54.2 53 54 A S T 3 S+ 0 0 15 31,-0.2 2,-0.3 30,-0.2 -1,-0.3 0.709 100.4 26.7 -58.1 -26.1 -80.8 -19.2 54.9 54 55 A H S < S+ 0 0 102 -3,-1.8 -1,-0.1 2,-0.1 31,-0.0 -0.968 98.9 37.1-140.9 154.0 -83.3 -16.8 53.3 55 56 A G S S- 0 0 50 -2,-0.3 2,-0.1 -3,-0.1 0, 0.0 0.175 71.5 -88.2 89.4 155.1 -87.0 -16.5 52.8 56 57 A S > - 0 0 65 1,-0.1 4,-2.0 0, 0.0 3,-0.3 -0.446 41.4-100.6 -89.1 171.9 -90.1 -17.3 54.9 57 58 A H H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 124.5 57.1 -57.5 -39.1 -92.0 -20.6 55.0 58 59 A E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 104.2 51.9 -60.1 -42.8 -94.5 -19.0 52.6 59 60 A Y H > S+ 0 0 74 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.961 113.9 43.0 -57.2 -46.7 -91.8 -18.3 50.1 60 61 A H H X S+ 0 0 6 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.822 106.9 61.0 -74.0 -27.5 -90.6 -21.9 50.2 61 62 A Q H X S+ 0 0 40 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.916 104.0 50.5 -62.7 -42.7 -94.1 -23.2 50.1 62 63 A T H X S+ 0 0 53 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.897 109.6 51.1 -59.5 -40.4 -94.5 -21.5 46.8 63 64 A T H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.990 111.2 47.6 -59.8 -51.4 -91.2 -23.2 45.7 64 65 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.915 115.7 44.4 -53.7 -48.1 -92.6 -26.6 46.7 65 66 A N H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 114.0 48.7 -67.2 -47.1 -95.9 -26.0 45.0 66 67 A N H X S+ 0 0 35 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.905 110.2 51.5 -60.8 -40.3 -94.4 -24.6 41.8 67 68 A V H X S+ 0 0 2 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.954 110.3 49.1 -62.6 -45.1 -91.9 -27.5 41.5 68 69 A R H X S+ 0 0 98 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.921 113.1 47.0 -63.4 -36.6 -94.6 -30.1 41.9 69 70 A A H X S+ 0 0 41 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.930 113.8 46.6 -71.5 -48.1 -96.8 -28.4 39.2 70 71 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.920 114.9 47.8 -52.5 -47.9 -93.9 -28.0 36.8 71 72 A A H X>S+ 0 0 9 -4,-3.0 5,-2.7 -5,-0.2 4,-0.9 0.920 111.1 50.0 -68.1 -41.4 -92.9 -31.6 37.4 72 73 A A H <5S+ 0 0 78 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.900 108.3 53.5 -65.1 -36.1 -96.4 -32.9 36.9 73 74 A E H <5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.9 37.4 -63.9 -39.0 -96.8 -31.0 33.7 74 75 A L H <5S- 0 0 55 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.476 110.5-120.3 -90.9 -7.7 -93.7 -32.5 32.3 75 76 A G T <5 + 0 0 60 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.859 65.3 138.5 69.7 42.5 -94.3 -35.9 33.8 76 77 A L < - 0 0 72 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.2 -0.797 55.1-132.1-119.2 155.1 -91.0 -35.9 35.8 77 78 A H - 0 0 55 -2,-0.3 2,-0.5 362,-0.1 362,-0.1 -0.899 30.8-177.4-104.6 109.1 -89.9 -36.9 39.3 78 79 A I - 0 0 13 -2,-0.7 -31,-0.2 -11,-0.1 351,-0.1 -0.898 21.4-130.4-110.1 126.9 -88.0 -34.0 40.7 79 80 A G E -c 47 0A 0 -33,-2.1 -31,-2.5 -2,-0.5 2,-0.5 -0.421 15.2-146.3 -71.5 150.9 -86.4 -34.3 44.2 80 81 A I E -c 48 0A 4 -33,-0.2 126,-1.9 124,-0.1 127,-1.5 -0.992 13.6-165.2-122.5 119.5 -86.9 -31.4 46.6 81 82 A A E -cd 49 207A 0 -33,-3.2 -31,-2.8 -2,-0.5 2,-0.6 -0.907 11.7-152.9-109.7 134.8 -84.1 -30.6 49.0 82 83 A L E -cd 50 208A 0 125,-2.6 127,-2.6 -2,-0.4 2,-0.6 -0.935 13.5-161.8-103.4 116.5 -84.4 -28.4 52.1 83 84 A D E -cd 51 209A 0 -33,-3.0 -31,-2.9 -2,-0.6 127,-0.2 -0.889 17.4-133.2-103.4 118.8 -81.1 -26.8 52.9 84 85 A T - 0 0 7 125,-2.4 -31,-0.2 -2,-0.6 109,-0.1 -0.398 10.3-139.0 -75.9 148.9 -80.8 -25.6 56.4 85 86 A K + 0 0 39 -33,-0.4 -1,-0.1 -2,-0.1 -32,-0.1 0.944 47.6 167.9 -55.5 -56.1 -79.6 -22.2 57.7 86 87 A G - 0 0 4 1,-0.2 2,-3.2 -34,-0.1 102,-0.1 -0.141 58.0 -15.4 67.8-166.2 -77.8 -24.0 60.6 87 88 A P S S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.158 88.2 160.2 -64.9 49.2 -75.3 -22.3 62.8 88 89 A E - 0 0 32 -2,-3.2 2,-0.4 90,-0.0 90,-0.1 -0.394 27.2-153.4 -70.7 152.1 -74.8 -19.4 60.4 89 90 A I + 0 0 12 88,-0.4 88,-3.2 -2,-0.1 2,-0.3 -0.997 19.4 171.2-129.1 135.4 -73.3 -16.1 61.5 90 91 A R B -I 176 0B 36 -2,-0.4 37,-2.5 86,-0.3 86,-0.2 -0.933 32.3-110.4-138.8 154.3 -74.1 -12.7 59.9 91 92 A T B -J 126 0C 0 84,-2.5 35,-0.3 -2,-0.3 3,-0.1 -0.324 34.9-123.9 -66.0 163.6 -73.6 -9.0 60.2 92 93 A G - 0 0 0 33,-1.9 82,-2.5 1,-0.2 83,-0.3 0.295 48.0 -60.7 -78.9-145.1 -76.7 -6.7 60.9 93 94 A L - 0 0 42 23,-4.3 26,-1.7 80,-0.2 32,-0.4 -0.584 49.5-136.2 -99.8 172.1 -77.7 -3.8 58.7 94 95 A F B > -k 119 0D 9 24,-0.2 3,-1.2 -2,-0.2 2,-0.6 -0.910 29.6 -87.2-130.7 154.6 -75.7 -0.7 57.8 95 96 A K G > S- 0 0 94 24,-3.6 3,-0.6 -2,-0.3 23,-0.1 -0.466 119.4 -3.2 -56.8 105.0 -76.2 3.1 57.4 96 97 A D G 3 S- 0 0 161 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.265 122.2 -78.2 90.0 -8.8 -77.4 3.5 53.8 97 98 A G G < S+ 0 0 29 -3,-1.2 76,-0.4 22,-0.2 2,-0.3 0.487 113.5 51.0 96.9 2.8 -77.0 -0.3 53.2 98 99 A E < - 0 0 70 -3,-0.6 2,-0.3 74,-0.1 74,-0.2 -0.892 55.5-168.5-162.8 138.7 -73.2 -0.3 52.7 99 100 A V E -L 171 0E 7 72,-1.5 72,-2.9 -2,-0.3 2,-0.4 -0.889 19.1-136.4-117.7 159.5 -70.1 1.0 54.5 100 101 A S E -L 170 0E 66 -2,-0.3 2,-0.3 70,-0.2 70,-0.2 -0.972 16.1-158.9-120.9 132.0 -66.5 1.1 53.1 101 102 A F E -L 169 0E 8 68,-3.0 68,-1.3 -2,-0.4 20,-0.0 -0.813 3.6-157.3-112.8 145.5 -63.4 0.0 55.0 102 103 A A > - 0 0 31 -2,-0.3 3,-3.0 66,-0.2 63,-0.2 -0.939 41.9 -86.6-115.9 147.7 -59.8 0.9 54.6 103 104 A P T 3 S+ 0 0 63 0, 0.0 63,-0.3 0, 0.0 3,-0.1 -0.298 120.0 21.0 -51.3 117.2 -56.8 -1.2 55.8 104 105 A G T 3 S+ 0 0 28 61,-4.1 2,-1.1 1,-0.3 62,-0.1 0.333 79.2 144.3 99.1 -6.1 -56.2 -0.0 59.4 105 106 A D < - 0 0 31 -3,-3.0 60,-1.1 60,-0.1 -1,-0.3 -0.561 50.5-137.0 -58.9 96.6 -59.7 1.4 59.9 106 107 A I E -M 164 0F 80 -2,-1.1 2,-0.4 58,-0.2 58,-0.2 -0.493 30.8-171.7 -62.5 124.7 -60.0 0.5 63.6 107 108 A V E -M 163 0F 2 56,-3.4 56,-3.4 -2,-0.2 2,-0.6 -0.984 22.8-139.3-136.1 133.6 -63.6 -0.9 64.0 108 109 A C E -Mn 162 123F 20 14,-2.7 16,-2.1 -2,-0.4 2,-0.4 -0.818 16.6-166.4 -92.3 122.3 -65.9 -1.9 66.9 109 110 A V E -Mn 161 124F 0 52,-2.7 52,-2.7 -2,-0.6 2,-0.4 -0.903 11.1-165.9-109.4 138.4 -68.1 -5.0 66.4 110 111 A T E -Mn 160 125F 2 14,-2.8 16,-2.2 -2,-0.4 50,-0.2 -0.923 32.7-156.1-132.8 140.8 -70.9 -5.6 68.8 111 112 A T + 0 0 18 48,-2.6 49,-0.1 -2,-0.4 14,-0.1 0.307 67.3 113.8 -84.6 -3.1 -73.2 -8.5 69.8 112 113 A D > - 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0 0 35 -4,-0.9 3,-0.7 -3,-0.7 -1,-0.1 0.003 42.2 -41.3 66.9-168.2 -89.1 -37.3 64.0 228 229 A E G >4 S+ 0 0 150 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.873 137.3 48.9 -68.6 -36.5 -91.2 -40.4 63.2 229 230 A K G 34 S+ 0 0 192 1,-0.2 3,-0.3 -3,-0.2 -1,-0.3 0.706 110.6 52.4 -79.6 -15.4 -92.9 -39.0 60.2 230 231 A G G X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.7 -1,-0.2 0.189 73.2 111.0 -99.2 13.1 -89.6 -37.8 58.7 231 232 A K T < S+ 0 0 105 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.722 76.1 48.8 -71.8 -22.0 -87.6 -41.1 59.0 232 233 A D T 3 S+ 0 0 82 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.318 83.4 110.0 -97.9 5.3 -87.3 -41.9 55.2 233 234 A I S < S- 0 0 9 -3,-1.4 -26,-0.2 -10,-0.1 2,-0.1 -0.671 75.5-116.3 -80.1 131.0 -86.1 -38.4 54.3 234 235 A L E -e 207 0A 9 -28,-2.0 -26,-3.1 -2,-0.3 2,-0.6 -0.476 18.8-146.7 -68.5 142.5 -82.5 -38.5 53.2 235 236 A I E -e 208 0A 1 -28,-0.2 21,-2.1 -2,-0.1 22,-1.3 -0.936 13.1-171.8-109.7 110.1 -80.0 -36.6 55.3 236 237 A I E -ef 209 257A 1 -28,-3.2 -26,-2.8 -2,-0.6 2,-0.4 -0.901 16.9-145.0 -99.1 111.7 -77.2 -35.2 53.2 237 238 A S E -ef 210 258A 0 20,-2.4 22,-2.9 -2,-0.7 2,-0.5 -0.645 6.4-139.6 -83.7 129.6 -74.5 -33.8 55.5 238 239 A K E - 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0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.341 46.8-124.0 -61.8 140.2 -57.3 -22.6 53.6 271 272 A A G > S+ 0 0 5 -5,-0.3 3,-1.5 1,-0.3 4,-0.4 0.802 107.2 59.2 -56.2 -37.8 -58.8 -22.3 50.1 272 273 A E G 3 S+ 0 0 19 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.678 97.8 61.8 -70.6 -11.8 -56.1 -24.4 48.5 273 274 A K G <> S+ 0 0 32 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.611 81.3 82.6 -88.7 -12.2 -56.9 -27.4 50.8 274 275 A V H <> S+ 0 0 6 -3,-1.5 4,-2.8 -4,-0.4 5,-0.2 0.888 84.9 57.6 -58.6 -34.4 -60.3 -27.6 49.4 275 276 A C H > S+ 0 0 10 -3,-0.4 4,-2.3 -4,-0.4 5,-0.2 0.948 108.5 46.3 -67.2 -37.9 -59.1 -29.7 46.4 276 277 A V H > S+ 0 0 5 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.929 113.1 48.2 -66.0 -49.9 -57.6 -32.3 48.7 277 278 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.893 111.3 52.0 -53.5 -47.7 -60.7 -32.4 50.9 278 279 A Q H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.942 110.7 46.1 -56.7 -52.9 -62.9 -32.8 47.8 279 280 A M H X S+ 0 0 10 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.907 116.3 45.9 -56.7 -44.0 -60.9 -35.7 46.4 280 281 A C H X S+ 0 0 12 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.949 114.8 45.5 -68.2 -47.3 -60.9 -37.4 49.7 281 282 A I H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.943 112.5 49.8 -66.0 -44.4 -64.6 -37.0 50.6 282 283 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.924 113.0 46.4 -61.5 -45.4 -65.9 -37.9 47.2 283 284 A S H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.891 109.2 54.1 -66.9 -38.3 -63.8 -41.1 47.0 284 285 A K H X S+ 0 0 33 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.872 110.9 47.9 -63.1 -37.0 -64.8 -42.1 50.6 285 286 A C H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.7 0.867 109.7 51.6 -67.2 -41.6 -68.5 -41.8 49.6 286 287 A N H ><5S+ 0 0 4 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.886 105.4 57.3 -60.2 -44.2 -67.9 -43.8 46.4 287 288 A V H 3<5S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.6 35.9 -58.5 -39.0 -66.3 -46.6 48.4 288 289 A V H 3<5S- 0 0 73 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.446 113.2-116.9 -93.1 1.4 -69.4 -47.0 50.7 289 290 A G T <<5 + 0 0 19 -4,-0.7 -3,-0.2 -3,-0.6 122,-0.2 0.862 63.7 142.5 63.7 45.0 -71.9 -46.3 47.9 290 291 A K < - 0 0 53 -5,-2.5 -1,-0.2 -6,-0.1 -33,-0.2 -0.940 56.3-100.8-116.3 141.3 -73.4 -43.2 49.2 291 292 A P - 0 0 3 0, 0.0 -33,-1.9 0, 0.0 2,-0.4 -0.116 38.0-166.2 -54.0 138.9 -74.5 -40.2 47.0 292 293 A V E -g 258 0A 0 141,-0.3 34,-2.0 -35,-0.2 33,-1.0 -0.998 6.0-159.1-137.0 133.8 -72.1 -37.2 47.0 293 294 A I E -gh 259 326A 1 -35,-2.7 -33,-3.0 -2,-0.4 2,-0.5 -0.937 8.2-149.5-114.0 128.1 -72.7 -33.7 45.8 294 295 A C E -gh 260 327A 0 32,-2.5 34,-1.7 -2,-0.5 2,-0.3 -0.884 31.3-171.7 -91.4 129.6 -70.0 -31.2 44.8 295 296 A A E +g 261 0A 0 -35,-1.8 -33,-1.0 -2,-0.5 34,-0.1 -0.895 22.4 35.2-129.5 146.8 -71.2 -27.6 45.5 296 297 A T S S+ 0 0 30 -2,-0.3 -1,-0.1 32,-0.3 33,-0.1 0.767 96.8 9.6 98.8 121.2 -70.5 -23.9 45.1 297 298 A Q S > S+ 0 0 24 512,-0.1 3,-0.7 1,-0.1 513,-0.6 0.663 73.3 137.7 60.8 25.4 -69.0 -21.5 42.5 298 299 A M T 3 S+ 0 0 0 30,-0.4 18,-0.3 1,-0.2 17,-0.2 0.871 89.9 7.5 -65.8 -38.6 -68.8 -24.2 39.9 299 300 A L T > S+ 0 0 0 1,-0.1 3,-2.2 16,-0.1 -1,-0.2 -0.233 88.9 150.2-131.6 39.3 -70.1 -21.9 37.1 300 301 A E G X + 0 0 61 -3,-0.7 3,-2.4 1,-0.3 4,-0.2 0.852 63.3 57.2 -52.7 -51.4 -70.0 -18.8 39.1 301 302 A S G >> S+ 0 0 26 1,-0.3 4,-1.9 -4,-0.2 3,-1.6 0.701 90.9 74.1 -54.1 -24.6 -69.3 -16.2 36.4 302 303 A M G <4 S+ 0 0 0 -3,-2.2 36,-0.6 1,-0.3 -1,-0.3 0.414 72.6 85.4 -73.5 0.0 -72.4 -17.4 34.5 303 304 A T G <4 S+ 0 0 18 -3,-2.4 34,-2.7 33,-0.2 -1,-0.3 0.901 117.0 6.0 -58.5 -32.1 -74.4 -15.5 37.2 304 305 A S T <4 S+ 0 0 74 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.484 124.5 69.1-131.5 -13.2 -73.8 -12.5 34.9 305 306 A N < - 0 0 83 -4,-1.9 33,-0.1 1,-0.1 32,-0.0 -0.867 69.8-135.1-110.8 153.2 -72.1 -13.9 31.7 306 307 A P S S+ 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.538 92.9 45.0 -77.3 -9.9 -73.6 -16.1 28.9 307 308 A R S S- 0 0 86 -6,-0.1 -3,-0.1 463,-0.0 2,-0.1 -0.990 81.8-125.9-133.9 146.9 -70.4 -18.3 28.9 308 309 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 -0.376 31.2-100.0 -88.6 169.0 -68.4 -19.8 31.8 309 310 A T > - 0 0 9 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.362 31.3-109.0 -77.2 165.1 -64.6 -19.4 32.3 310 311 A R H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 121.6 53.2 -61.9 -34.4 -62.1 -22.0 31.4 311 312 A A H > S+ 0 0 0 485,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.796 106.8 52.0 -66.1 -32.9 -61.6 -22.7 35.1 312 313 A E H > S+ 0 0 4 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.930 108.5 48.5 -78.9 -36.1 -65.3 -23.2 35.6 313 314 A V H X S+ 0 0 6 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.934 112.9 49.3 -64.5 -50.6 -65.7 -25.8 32.9 314 315 A S H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.888 107.0 56.5 -48.1 -45.7 -62.7 -27.6 34.2 315 316 A D H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.919 110.2 43.3 -60.1 -47.1 -64.2 -27.5 37.7 316 317 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 -18,-0.3 3,-0.2 0.924 114.1 50.7 -62.0 -46.3 -67.4 -29.3 36.6 317 318 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.933 111.8 47.6 -62.0 -39.5 -65.5 -31.8 34.5 318 319 A N H X S+ 0 0 11 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.747 104.2 58.1 -78.0 -24.4 -63.2 -32.7 37.3 319 320 A A H X>S+ 0 0 0 -4,-1.4 5,-2.5 -3,-0.2 4,-0.5 0.904 110.9 46.2 -68.7 -38.0 -65.9 -33.1 40.0 320 321 A V H ><5S+ 0 0 10 -4,-1.6 3,-1.7 3,-0.2 -2,-0.2 0.960 113.3 46.7 -66.0 -49.1 -67.4 -35.7 37.7 321 322 A L H 3<5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.872 105.3 62.1 -63.9 -29.9 -64.0 -37.4 37.1 322 323 A N H 3<5S- 0 0 25 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.668 125.7-102.5 -60.8 -30.5 -63.4 -37.3 40.9 323 324 A G T <<5 + 0 0 7 -3,-1.7 2,-0.2 -4,-0.5 -3,-0.2 0.540 63.8 158.7 119.6 4.5 -66.5 -39.5 41.2 324 325 A A < - 0 0 0 -5,-2.5 -1,-0.2 1,-0.1 -31,-0.1 -0.485 34.3-152.9 -64.3 135.1 -69.2 -37.1 42.3 325 326 A D S S+ 0 0 5 -33,-1.0 -303,-2.0 -2,-0.2 2,-0.3 0.955 78.5 21.3 -62.9 -46.7 -72.8 -38.2 41.7 326 327 A C E -ah 22 293A 0 -34,-2.0 -32,-2.5 -305,-0.2 2,-0.3 -0.893 59.3-154.0-128.1 153.5 -74.1 -34.6 41.5 327 328 A V E -ah 23 294A 0 -305,-2.3 -303,-2.4 -2,-0.3 2,-0.3 -0.873 24.1-143.2-123.4 152.7 -72.9 -31.2 40.8 328 329 A M E -a 24 0A 1 -34,-1.7 2,-0.4 -2,-0.3 -30,-0.4 -0.872 11.8-156.6-122.3 153.4 -74.7 -28.2 42.2 329 330 A L E +a 25 0A 0 -305,-2.5 -303,-1.8 -2,-0.3 -34,-0.0 -0.974 17.4 165.7-124.1 138.8 -75.6 -24.6 41.3 330 331 A S S >> S+ 0 0 23 -2,-0.4 4,-2.5 -305,-0.2 3,-1.3 0.499 75.5 6.2-114.1 -99.1 -76.4 -21.8 43.8 331 332 A G H 3>>S+ 0 0 14 1,-0.3 4,-2.3 2,-0.2 5,-1.3 0.825 118.2 75.6 -56.1 -32.9 -76.5 -18.1 42.8 332 333 A E H 345S+ 0 0 0 1,-0.2 6,-0.3 3,-0.2 -1,-0.3 0.833 116.0 15.8 -48.7 -41.9 -76.1 -19.2 39.2 333 334 A T H <45S+ 0 0 0 -3,-1.3 -305,-0.4 2,-0.1 -1,-0.2 0.667 122.9 60.6-104.7 -30.7 -79.8 -20.4 39.1 334 335 A A H <5S- 0 0 15 -4,-2.5 -304,-1.8 -307,-0.2 -303,-0.5 0.932 133.3 -5.9 -60.6 -45.0 -81.2 -18.7 42.2 335 336 A K T <5S+ 0 0 134 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.397 101.2 118.0-140.0 4.6 -80.5 -15.1 41.1 336 337 A G < - 0 0 2 -5,-1.3 -32,-0.2 1,-0.1 -33,-0.2 -0.157 63.7-125.2 -79.4 167.9 -78.5 -15.2 37.8 337 338 A K S S+ 0 0 131 -34,-2.7 -33,-0.1 1,-0.2 3,-0.1 0.604 104.3 42.2 -85.2 -14.8 -79.4 -13.8 34.4 338 339 A Y > + 0 0 59 -36,-0.6 4,-2.4 -6,-0.3 5,-0.2 -0.347 62.9 149.2-130.5 57.3 -78.8 -17.1 32.5 339 340 A P H > S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.880 76.4 45.8 -62.6 -39.8 -80.3 -19.9 34.6 340 341 A N H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.898 114.6 47.5 -69.9 -39.3 -81.3 -22.2 31.7 341 342 A E H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.853 108.1 54.0 -71.2 -37.9 -78.0 -21.8 29.9 342 343 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.938 110.3 47.9 -67.5 -34.7 -75.9 -22.4 33.0 343 344 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.923 111.2 51.4 -68.9 -34.7 -77.8 -25.7 33.6 344 345 A Q H X S+ 0 0 76 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.869 109.9 47.9 -70.7 -43.8 -77.3 -26.6 29.9 345 346 A Y H X S+ 0 0 41 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 110.8 52.5 -56.3 -46.2 -73.6 -26.0 30.0 346 347 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 109.6 49.2 -61.3 -41.7 -73.3 -28.0 33.2 347 348 A A H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.933 112.2 47.4 -62.7 -44.8 -75.2 -30.9 31.5 348 349 A R H X S+ 0 0 95 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.857 112.1 49.8 -65.2 -38.4 -72.9 -30.8 28.4 349 350 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 108.9 52.6 -67.7 -45.9 -69.8 -30.7 30.6 350 351 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.917 110.1 47.9 -47.8 -51.3 -71.0 -33.6 32.7 351 352 A V H X S+ 0 0 19 -4,-2.2 4,-2.8 2,-0.2 -335,-0.4 0.885 110.9 51.9 -64.9 -39.3 -71.6 -35.8 29.5 352 353 A E H X S+ 0 0 11 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.955 112.5 43.8 -59.9 -51.8 -68.1 -34.8 28.2 353 354 A A H < S+ 0 0 0 -4,-2.7 4,-0.3 2,-0.2 3,-0.3 0.918 113.2 53.3 -60.6 -42.7 -66.3 -35.8 31.4 354 355 A Q H >< S+ 0 0 24 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.938 109.2 47.9 -57.0 -45.6 -68.5 -39.0 31.5 355 356 A S H 3< S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.726 109.1 54.4 -67.7 -24.8 -67.4 -39.9 28.0 356 357 A A T 3< S+ 0 0 6 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.3 0.391 88.0 106.0 -83.7 -4.3 -63.7 -39.2 29.0 357 358 A T S < S- 0 0 43 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.0 -0.642 80.1-114.6 -82.3 131.6 -64.0 -41.7 31.9 358 359 A H >> - 0 0 76 -2,-0.3 4,-0.6 1,-0.1 3,-0.6 -0.558 30.5-128.0 -61.0 123.6 -62.3 -45.1 31.6 359 360 A D T 34 S+ 0 0 87 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.808 92.4 17.5 -34.9 -57.9 -65.1 -47.6 31.6 360 361 A T T 3> S+ 0 0 40 2,-0.1 4,-2.3 1,-0.1 -1,-0.2 0.327 92.3 95.1-119.4 -0.1 -64.1 -50.0 34.3 361 362 A V H <> S+ 0 0 72 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.952 93.8 44.3 -62.7 -48.1 -61.4 -48.3 36.4 362 363 A M H X S+ 0 0 33 -4,-0.6 4,-2.7 2,-0.2 5,-0.3 0.934 111.5 53.8 -59.3 -48.7 -64.0 -47.2 39.0 363 364 A F H > S+ 0 0 15 -4,-0.3 4,-2.6 50,-0.3 5,-0.2 0.962 114.5 40.8 -51.2 -56.9 -65.8 -50.6 39.0 364 365 A N H X S+ 0 0 69 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.887 114.8 50.4 -59.9 -41.2 -62.5 -52.4 39.8 365 366 A S H < S+ 0 0 12 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.935 115.0 43.6 -66.8 -41.0 -61.2 -49.9 42.3 366 367 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 -5,-0.2 4,-0.3 0.930 114.9 48.5 -70.6 -44.1 -64.4 -49.8 44.3 367 368 A K H >< S+ 0 0 80 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.919 104.5 59.5 -63.7 -40.8 -64.8 -53.6 44.2 368 369 A N T 3< S+ 0 0 124 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.626 104.2 52.7 -64.5 -13.5 -61.3 -54.2 45.3 369 370 A L T < S+ 0 0 52 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.2 0.413 84.4 104.7-101.2 -2.3 -61.9 -52.3 48.5 370 371 A Q S < S- 0 0 29 -3,-1.8 2,-0.2 -4,-0.3 4,-0.1 -0.593 76.6-112.6 -83.4 136.9 -65.1 -54.2 49.6 371 372 A K - 0 0 190 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.484 42.2-104.8 -71.9 136.9 -64.7 -56.6 52.5 372 373 A I S S+ 0 0 125 -2,-0.2 2,-0.1 1,-0.1 3,-0.0 -0.921 98.6 50.3-103.3 137.0 -65.3 -60.3 51.5 373 374 A P S S- 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.475 81.7-161.7 -79.9 146.0 -67.6 -62.1 52.0 374 375 A M - 0 0 39 1,-0.1 -2,-0.1 -2,-0.1 5,-0.0 -0.554 29.4 -94.8 -79.3 161.6 -70.2 -59.6 50.6 375 376 A C >> - 0 0 76 -2,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.390 43.0-108.9 -63.2 149.5 -73.9 -59.8 51.4 376 377 A P H 3> S+ 0 0 69 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.879 117.2 55.3 -53.0 -40.2 -75.7 -61.7 48.6 377 378 A E H 3> S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 109.4 46.9 -69.8 -29.3 -77.4 -58.5 47.2 378 379 A E H <> S+ 0 0 30 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.870 110.7 51.1 -78.3 -32.2 -74.1 -56.8 46.8 379 380 A A H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.938 114.3 47.1 -66.9 -36.6 -72.5 -59.8 45.1 380 381 A V H X S+ 0 0 19 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.910 113.8 44.7 -69.5 -49.0 -75.5 -59.8 42.8 381 382 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.921 115.3 46.6 -65.1 -43.5 -75.4 -56.1 42.1 382 383 A S H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.920 114.6 46.5 -68.2 -40.3 -71.6 -55.9 41.5 383 384 A S H X S+ 0 0 63 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.839 108.0 58.4 -73.2 -22.8 -71.6 -59.0 39.3 384 385 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.936 106.7 47.8 -67.6 -42.5 -74.6 -57.6 37.4 385 386 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.931 109.4 53.1 -61.2 -42.4 -72.5 -54.5 36.6 386 387 A A H X S+ 0 0 25 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.910 109.1 48.8 -59.9 -41.2 -69.6 -56.7 35.5 387 388 A S H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 6,-0.2 0.868 105.7 58.5 -69.2 -32.5 -71.9 -58.7 33.1 388 389 A A H X>S+ 0 0 1 -4,-2.1 5,-2.4 1,-0.2 4,-0.6 0.950 109.2 44.7 -57.6 -46.8 -73.2 -55.3 31.7 389 390 A F H ><5S+ 0 0 31 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.883 110.9 54.0 -58.7 -45.1 -69.6 -54.5 30.8 390 391 A E H 3<5S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 119.2 32.2 -65.8 -33.2 -69.0 -58.0 29.4 391 392 A V H 3<5S- 0 0 59 -4,-2.2 -1,-0.2 -3,-0.1 84,-0.2 0.325 106.9-120.5 -99.3 -2.5 -72.0 -57.9 27.0 392 393 A Q T <<5 - 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0 0 63 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.349 46.4-124.1 -54.2 136.2 -67.0 -26.5 22.2 770 272 B A G >4 S+ 0 0 16 1,-0.3 3,-1.3 -5,-0.3 4,-0.4 0.834 109.2 57.6 -54.6 -38.2 -65.9 -25.2 25.6 771 273 B E G 34 S+ 0 0 22 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.701 99.8 60.5 -68.7 -16.1 -66.7 -28.6 27.3 772 274 B K G <> S+ 0 0 27 -3,-2.2 4,-2.4 1,-0.2 3,-0.3 0.643 81.8 81.9 -84.8 -10.9 -64.3 -30.3 25.0 773 275 B V H S+ 0 0 13 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.884 107.1 47.6 -70.2 -35.2 -61.0 -30.6 29.2 775 277 B V H > S+ 0 0 5 -4,-0.4 4,-2.4 -3,-0.3 5,-0.2 0.967 113.1 47.0 -69.5 -45.8 -60.6 -33.6 27.0 776 278 B A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.889 111.9 52.6 -60.4 -42.4 -58.0 -31.8 24.8 777 279 B Q H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.928 110.5 45.2 -59.8 -52.2 -56.2 -30.6 27.9 778 280 B M H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.917 117.4 45.6 -56.5 -47.1 -55.9 -34.0 29.5 779 281 B C H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.943 114.1 46.0 -64.6 -51.6 -54.8 -35.6 26.2 780 282 B I H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 5,-0.2 0.932 113.9 48.5 -63.3 -42.6 -52.2 -32.9 25.2 781 283 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.961 113.2 46.7 -64.1 -45.9 -50.6 -32.8 28.7 782 284 B S H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.884 109.6 54.3 -64.9 -34.6 -50.3 -36.5 28.8 783 285 B K H X S+ 0 0 37 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.906 110.3 47.0 -68.3 -36.0 -48.9 -36.7 25.3 784 286 B C H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.8 0.875 109.7 53.4 -68.4 -42.5 -46.2 -34.1 26.3 785 287 B N H <5S+ 0 0 4 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.889 105.3 55.8 -55.0 -42.5 -45.4 -36.1 29.5 786 288 B V H <5S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.841 114.9 35.9 -64.9 -36.4 -44.9 -39.2 27.5 787 289 B V H <5S- 0 0 72 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.431 112.7-117.6 -94.9 -5.6 -42.2 -37.7 25.2 788 290 B G T <5 + 0 0 18 -4,-0.8 -3,-0.2 -3,-0.4 122,-0.2 0.872 64.2 138.8 75.1 43.3 -40.8 -35.6 28.0 789 291 B K < - 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0 0 4 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 -0.440 29.2-104.2 -93.1 162.1 -60.1 -17.0 44.0 808 310 B T > - 0 0 11 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.380 34.3-109.2 -72.1 164.0 -63.3 -18.8 43.4 809 311 B R H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.825 120.2 54.4 -60.3 -37.7 -63.7 -22.5 44.3 810 312 B A H > S+ 0 0 0 -513,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.886 106.2 52.7 -62.9 -39.5 -63.6 -23.4 40.5 811 313 B E H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 106.5 51.1 -67.7 -42.9 -60.4 -21.6 40.0 812 314 B V H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.921 111.6 47.2 -60.0 -46.3 -58.6 -23.4 42.8 813 315 B S H X S+ 0 0 4 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.905 107.2 60.0 -62.8 -31.5 -59.6 -26.7 41.5 814 316 B D H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.926 109.2 40.5 -60.9 -49.4 -58.5 -25.6 38.0 815 317 B V H X S+ 0 0 0 -4,-1.9 4,-1.9 -18,-0.3 -1,-0.2 0.932 115.7 51.0 -67.9 -41.0 -54.9 -25.0 39.0 816 318 B A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.947 112.0 48.1 -63.6 -40.1 -54.8 -28.1 41.2 817 319 B N H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.771 105.0 56.4 -75.2 -28.6 -56.1 -30.3 38.4 818 320 B A H X>S+ 0 0 0 -4,-1.7 5,-2.2 -5,-0.2 4,-0.8 0.925 111.2 46.8 -62.8 -41.5 -53.7 -28.9 35.8 819 321 B V H ><5S+ 0 0 10 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.937 113.5 46.6 -66.6 -42.2 -50.9 -30.0 38.2 820 322 B L H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.836 105.8 59.6 -70.6 -31.7 -52.5 -33.4 38.7 821 323 B N H 3<5S- 0 0 20 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.716 126.5-101.2 -62.1 -35.8 -53.1 -33.8 34.9 822 324 B G T <<5 + 0 0 4 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.540 63.4 158.4 131.6 4.9 -49.3 -33.5 34.6 823 325 B A < - 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0 0 76 -2,-0.3 3,-0.8 1,-0.1 4,-0.7 -0.600 28.7-133.3 -64.5 114.9 -49.0 -40.4 44.3 858 360 B D T 34 S+ 0 0 86 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.799 91.3 22.6 -30.1 -57.3 -45.2 -40.5 44.2 859 361 B T T 3> S+ 0 0 41 2,-0.1 4,-2.3 1,-0.1 -1,-0.2 0.392 94.7 88.8-114.6 -3.7 -44.6 -43.3 41.7 860 362 B V H <> S+ 0 0 74 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.941 95.8 43.3 -66.7 -48.3 -47.7 -43.6 39.6 861 363 B M H X S+ 0 0 34 -4,-0.7 4,-3.1 2,-0.2 5,-0.4 0.939 112.4 53.9 -57.2 -52.6 -46.5 -41.1 37.0 862 364 B F H > S+ 0 0 11 -4,-0.4 4,-2.3 50,-0.3 -2,-0.2 0.928 114.3 41.0 -49.0 -51.6 -43.0 -42.5 37.0 863 365 B N H X S+ 0 0 68 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.865 115.6 50.2 -67.0 -42.1 -44.3 -46.0 36.3 864 366 B S H < S+ 0 0 12 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.893 113.9 43.9 -62.9 -49.8 -46.9 -44.9 33.7 865 367 B I H >< S+ 0 0 0 -4,-3.1 3,-1.1 -5,-0.2 -2,-0.2 0.927 115.6 48.2 -60.4 -44.4 -44.5 -42.8 31.8 866 368 B K H >< S+ 0 0 81 -4,-2.3 3,-1.8 -5,-0.4 -2,-0.2 0.912 104.4 59.8 -68.6 -36.4 -41.8 -45.5 31.9 867 369 B N T 3< S+ 0 0 122 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.646 104.0 52.3 -68.3 -13.1 -44.2 -48.3 30.8 868 370 B L T < S+ 0 0 49 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 0.331 83.7 106.9-105.2 6.5 -44.9 -46.4 27.5 869 371 B Q S < S- 0 0 28 -3,-1.8 2,-0.2 -4,-0.2 4,-0.1 -0.659 76.3-110.3 -83.8 142.2 -41.3 -45.9 26.3 870 372 B K - 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