==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-10 3M7I . COMPND 2 MOLECULE: TRANSKETOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR B.NOCEK,M.MAKOWSKA-GRZYSKA,N.MALTSEVA,W.ANDERSON,A.JOACHIMIA . 632 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 57 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 3 0 4 2 0 1 2 2 2 1 1 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 2 5 2 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 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 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 1 A X 0 0 103 0, 0.0 2,-0.3 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 99.7 23.7 -26.2 42.4 2 2 A N > - 0 0 68 1,-0.0 4,-2.2 0, 0.0 5,-0.2 -0.903 360.0 -95.1-151.6 175.7 22.9 -27.9 45.8 3 3 A I H > S+ 0 0 60 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.840 115.5 51.8 -74.6 -36.7 20.6 -27.4 48.8 4 4 A Q H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 113.9 44.1 -70.3 -43.0 22.9 -25.6 51.2 5 5 A I H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.931 114.4 49.7 -66.1 -44.2 23.8 -22.9 48.5 6 6 A L H X S+ 0 0 4 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.887 110.6 50.8 -64.0 -38.2 20.2 -22.5 47.4 7 7 A Q H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.900 111.8 45.8 -64.8 -41.9 19.0 -22.1 50.9 8 8 A E H X S+ 0 0 59 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.928 113.6 50.7 -69.0 -43.2 21.6 -19.4 51.7 9 9 A Q H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.947 112.6 45.5 -54.4 -54.9 20.7 -17.7 48.4 10 10 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.901 113.2 49.6 -55.9 -42.8 17.0 -17.7 49.1 11 11 A N H X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.865 106.7 55.7 -69.8 -30.2 17.5 -16.5 52.7 12 12 A T H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.932 109.9 47.3 -62.7 -45.7 19.8 -13.7 51.4 13 13 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.943 111.8 51.9 -61.4 -44.2 16.9 -12.6 49.2 14 14 A R H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.928 112.4 41.6 -57.4 -52.3 14.5 -12.8 52.1 15 15 A F H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 265,-0.3 0.821 112.3 53.2 -79.9 -26.5 16.4 -10.8 54.5 16 16 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.962 114.7 44.7 -60.6 -48.8 17.4 -8.1 52.0 17 17 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.928 115.7 45.7 -58.5 -45.6 13.8 -7.8 51.2 18 18 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.3 242,-0.2 0.880 113.1 49.2 -67.1 -41.6 12.7 -7.8 54.8 19 19 A D H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.823 109.5 53.9 -67.1 -33.7 15.4 -5.3 55.9 20 20 A X H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 110.9 44.1 -65.1 -52.0 14.4 -2.9 53.0 21 21 A V H X>S+ 0 0 1 -4,-2.1 5,-1.5 2,-0.2 4,-1.1 0.878 113.4 52.0 -56.9 -44.2 10.8 -2.9 54.0 22 22 A Q H <5S+ 0 0 41 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.930 109.6 48.0 -64.1 -40.5 11.7 -2.4 57.6 23 23 A K H <5S+ 0 0 124 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.876 115.5 45.0 -70.1 -40.7 14.0 0.6 57.0 24 24 A A H <5S- 0 0 21 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.653 99.0-139.7 -66.8 -20.7 11.4 2.2 54.8 25 25 A N T <5S+ 0 0 120 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.853 77.5 81.3 53.4 36.1 8.7 1.4 57.4 26 26 A S < + 0 0 45 -5,-1.5 2,-0.3 -6,-0.2 -2,-0.2 -0.958 60.7 53.9-166.1 142.7 6.6 0.7 54.3 27 27 A G S S- 0 0 4 230,-0.4 41,-0.1 -2,-0.3 40,-0.1 -0.793 73.5 -56.9 124.6-170.5 6.1 -2.1 51.9 28 28 A H + 0 0 29 39,-0.4 42,-0.3 -2,-0.3 229,-0.2 -0.934 39.1 162.7-123.8 98.5 5.3 -5.7 51.3 29 29 A P > + 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.708 64.4 72.1 -88.7 -17.3 7.4 -8.4 52.9 30 30 A G H > S+ 0 0 0 225,-1.9 4,-2.1 226,-0.3 213,-2.0 0.936 98.4 43.1 -65.7 -54.6 5.1 -11.4 52.6 31 31 A A H > S+ 0 0 7 225,-0.4 4,-2.3 2,-0.2 5,-0.2 0.940 112.0 54.6 -62.0 -41.5 5.3 -12.1 48.9 32 32 A P H > S+ 0 0 0 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.928 111.3 45.4 -54.8 -45.5 9.1 -11.6 48.8 33 33 A L H < S+ 0 0 5 -4,-2.0 4,-0.4 1,-0.2 3,-0.4 0.848 113.8 49.7 -66.7 -38.5 9.6 -14.2 51.5 34 34 A G H < S+ 0 0 0 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.794 115.7 41.9 -69.8 -27.7 7.1 -16.6 49.8 35 35 A L H X S+ 0 0 9 -4,-2.3 4,-2.5 -3,-0.2 5,-0.2 0.480 86.0 96.1 -96.3 -7.3 8.8 -16.3 46.4 36 36 A A H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.1 0.857 83.7 48.5 -62.3 -36.6 12.4 -16.4 47.6 37 37 A D H > S+ 0 0 4 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.941 112.4 49.8 -67.2 -45.9 13.0 -20.1 47.0 38 38 A I H > S+ 0 0 2 176,-0.4 4,-2.8 -4,-0.3 -2,-0.2 0.915 111.7 46.3 -56.0 -50.2 11.4 -19.9 43.5 39 39 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 106.9 59.2 -66.9 -34.7 13.5 -17.0 42.4 40 40 A S H < S+ 0 0 0 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.949 113.7 38.3 -55.1 -46.5 16.7 -18.6 43.8 41 41 A V H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.6 0.933 111.6 57.3 -69.6 -44.3 16.2 -21.6 41.5 42 42 A L H >X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.3 3,-1.4 0.848 93.6 69.8 -56.9 -31.1 14.9 -19.5 38.6 43 43 A S H 3< S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.783 95.4 55.1 -57.9 -27.5 18.3 -17.5 38.8 44 44 A Y H <4 S+ 0 0 68 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.699 114.6 38.5 -75.4 -19.3 20.0 -20.7 37.5 45 45 A H H << S+ 0 0 12 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.1 0.785 89.4 102.2-105.1 -29.3 17.7 -20.9 34.5 46 46 A L < - 0 0 17 -4,-2.6 2,-0.6 1,-0.1 12,-0.0 -0.278 58.4-150.8 -58.2 128.5 17.3 -17.2 33.5 47 47 A K + 0 0 106 10,-0.1 12,-2.9 98,-0.1 2,-0.3 -0.915 42.4 127.7-100.4 114.5 19.4 -16.1 30.5 48 48 A H - 0 0 9 -2,-0.6 252,-0.1 10,-0.2 253,-0.1 -0.977 54.4-128.1-159.8 159.5 20.2 -12.4 30.8 49 49 A N > - 0 0 6 3,-0.4 3,-2.4 -2,-0.3 6,-0.3 -0.914 12.4-163.4-119.8 102.9 23.1 -10.0 30.8 50 50 A P T 3 S+ 0 0 3 0, 0.0 32,-0.4 0, 0.0 -1,-0.1 0.718 93.2 52.5 -53.7 -25.2 23.1 -7.7 33.9 51 51 A K T 3 S+ 0 0 140 1,-0.3 3,-0.0 243,-0.2 243,-0.0 0.535 117.4 36.2 -93.5 -7.9 25.5 -5.4 32.1 52 52 A N X + 0 0 41 -3,-2.4 3,-2.0 1,-0.1 -3,-0.4 -0.585 60.4 173.1-142.0 82.0 23.3 -5.1 29.0 53 53 A P T 3 S+ 0 0 29 0, 0.0 55,-0.1 0, 0.0 -1,-0.1 0.499 79.4 64.4 -62.4 -5.3 19.5 -5.1 30.0 54 54 A T T 3 + 0 0 108 -5,-0.1 2,-0.1 -3,-0.0 4,-0.0 0.357 64.4 134.7 -99.1 1.0 18.8 -4.3 26.3 55 55 A W X - 0 0 8 -3,-2.0 3,-1.7 -6,-0.3 -6,-0.1 -0.330 54.0-141.5 -56.3 122.9 20.1 -7.6 24.9 56 56 A L T 3 S+ 0 0 15 1,-0.3 -1,-0.2 -2,-0.1 350,-0.1 0.792 93.2 46.6 -67.3 -32.6 17.4 -8.5 22.4 57 57 A N T 3 S+ 0 0 12 85,-0.1 -1,-0.3 86,-0.1 86,-0.2 0.215 82.1 126.5 -99.5 20.1 17.4 -12.3 23.1 58 58 A R S < S- 0 0 15 -3,-1.7 -10,-0.2 86,-0.1 2,-0.2 -0.389 72.4-100.8 -64.3 148.8 17.4 -12.1 26.9 59 59 A D - 0 0 12 -12,-2.9 2,-0.6 85,-0.1 87,-0.2 -0.526 39.4-128.8 -60.8 137.1 14.7 -14.0 28.8 60 60 A R E -a 146 0A 0 85,-2.0 87,-2.8 -2,-0.2 2,-0.6 -0.891 21.8-163.2 -97.7 117.9 12.1 -11.5 29.8 61 61 A L E -a 147 0A 19 -2,-0.6 49,-0.5 85,-0.2 2,-0.5 -0.917 6.8-173.3-103.2 121.0 11.2 -11.6 33.6 62 62 A V E -a 148 0A 3 85,-3.1 87,-2.9 -2,-0.6 2,-1.1 -0.946 18.2-157.5-116.7 126.2 8.0 -10.0 34.7 63 63 A F E +a 149 0A 8 -2,-0.5 87,-0.1 48,-0.2 51,-0.1 -0.776 13.8 180.0 -93.2 94.8 6.8 -9.5 38.3 64 64 A S S S+ 0 0 0 85,-2.3 2,-1.7 -2,-1.1 50,-0.6 0.884 76.8 66.3 -67.8 -31.1 3.1 -9.2 37.8 65 65 A G S > S+ 0 0 8 84,-0.9 3,-1.8 1,-0.2 -1,-0.2 -0.684 72.4 179.9 -81.9 84.1 2.7 -8.8 41.5 66 66 A G G > + 0 0 1 -2,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.686 69.7 75.4 -65.7 -18.9 4.6 -5.5 41.6 67 67 A H G 3 S+ 0 0 35 1,-0.3 3,-0.4 47,-0.2 -39,-0.4 0.638 82.0 72.5 -63.2 -19.5 4.2 -5.2 45.3 68 68 A A G X> + 0 0 2 -3,-1.8 3,-1.5 1,-0.2 4,-1.3 0.181 63.6 124.5 -76.2 19.2 6.9 -7.8 45.5 69 69 A S H <> + 0 0 0 -3,-1.4 4,-2.8 31,-0.4 5,-0.2 0.767 57.8 64.6 -51.2 -41.1 9.4 -5.1 44.3 70 70 A A H 3> S+ 0 0 1 -3,-0.4 4,-2.1 -42,-0.3 -1,-0.3 0.874 104.4 49.8 -55.8 -35.7 11.8 -5.5 47.2 71 71 A L H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.926 109.5 49.1 -68.9 -49.6 12.5 -9.0 45.9 72 72 A L H X S+ 0 0 10 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.929 112.1 48.7 -50.8 -49.2 13.1 -7.9 42.4 73 73 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.896 109.4 52.4 -63.3 -37.0 15.4 -5.2 43.6 74 74 A S H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.940 111.8 46.7 -60.9 -48.9 17.4 -7.6 45.7 75 75 A F H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 111.3 49.9 -62.5 -41.4 17.8 -10.0 42.8 76 76 A L H X>S+ 0 0 4 -4,-2.6 5,-2.3 2,-0.2 4,-0.7 0.941 113.9 47.1 -65.9 -42.0 18.9 -7.2 40.4 77 77 A H H ><5S+ 0 0 44 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.964 115.3 44.8 -59.0 -54.0 21.4 -6.0 42.9 78 78 A L H 3<5S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.1 55.5 -60.7 -34.5 22.8 -9.4 43.6 79 79 A S H 3<5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.549 121.7 -98.7 -78.0 -11.5 22.9 -10.4 40.0 80 80 A G T <<5S+ 0 0 11 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.657 70.1 145.6 108.9 8.1 25.1 -7.5 38.9 81 81 A Y < - 0 0 22 -5,-2.3 2,-2.4 -6,-0.2 -1,-0.2 -0.300 68.8 -89.2 -73.2 166.6 22.7 -4.9 37.5 82 82 A D S S+ 0 0 104 -32,-0.4 2,-0.4 -2,-0.0 25,-0.3 -0.421 93.9 108.7 -79.5 64.1 23.3 -1.2 38.0 83 83 A L - 0 0 5 -2,-2.4 -3,-0.2 -7,-0.2 2,-0.1 -0.958 56.6-151.0-140.4 124.9 21.4 -1.1 41.3 84 84 A S > - 0 0 48 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.387 27.4-110.8 -97.4 167.4 23.5 -0.7 44.5 85 85 A L H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 121.3 54.9 -61.5 -39.9 23.2 -1.6 48.1 86 86 A E H > S+ 0 0 145 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.889 104.0 56.5 -59.8 -36.2 22.8 2.0 49.0 87 87 A D H >4 S+ 0 0 27 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.925 104.8 52.4 -59.1 -41.9 19.8 2.0 46.4 88 88 A L H >< S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.908 103.9 56.1 -62.9 -37.9 18.3 -0.8 48.4 89 89 A K H 3< S+ 0 0 84 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.607 103.4 56.4 -70.6 -11.1 18.6 1.2 51.6 90 90 A N T X< S+ 0 0 64 -3,-1.1 3,-2.1 -4,-0.7 8,-0.3 0.109 77.3 156.6-107.8 24.2 16.6 4.0 50.0 91 91 A F T < S+ 0 0 3 -3,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.183 71.5 1.8 -43.5 125.2 13.6 1.7 49.1 92 92 A R T 3 S+ 0 0 60 6,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.630 99.7 132.8 72.5 12.0 10.5 3.7 48.8 93 93 A Q X - 0 0 89 -3,-2.1 3,-2.5 5,-0.2 -1,-0.2 -0.787 68.8 -82.2 -97.6 149.7 12.1 7.1 49.3 94 94 A L T 3 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 -0.123 111.4 1.3 -51.6 127.3 11.6 10.1 47.2 95 95 A H T 3 S+ 0 0 175 1,-0.2 -1,-0.3 -3,-0.0 2,-0.0 0.490 96.0 137.6 69.6 12.9 13.8 10.1 44.1 96 96 A S < - 0 0 30 -3,-2.5 -1,-0.2 -6,-0.2 -9,-0.1 -0.310 64.6-122.4 -77.4 169.8 15.4 6.7 44.7 97 97 A K S S+ 0 0 96 1,-0.2 6,-0.2 -2,-0.0 -1,-0.1 0.366 104.5 66.9 -86.3 2.7 16.0 3.9 42.1 98 98 A T S S+ 0 0 0 -8,-0.3 -6,-2.9 -11,-0.2 -1,-0.2 -0.575 71.0 175.6-125.5 61.9 13.9 1.6 44.3 99 99 A P - 0 0 20 0, 0.0 4,-0.1 0, 0.0 -8,-0.1 -0.249 47.9 -96.2 -69.5 161.5 10.3 2.9 44.2 100 100 A G S S+ 0 0 15 -9,-0.1 -31,-0.4 2,-0.1 -30,-0.2 0.808 113.2 25.4 -50.4 -37.6 7.4 1.1 45.9 101 101 A H S S- 0 0 71 -32,-0.1 -34,-0.1 -33,-0.1 13,-0.1 -0.946 106.4 -85.9-125.5 155.1 6.4 -0.6 42.7 102 102 A P - 0 0 3 0, 0.0 11,-0.9 0, 0.0 2,-0.4 -0.263 42.7-173.3 -71.1 141.1 8.8 -1.3 39.7 103 103 A E > - 0 0 96 9,-0.2 3,-2.1 -6,-0.2 6,-0.2 -0.962 32.9-122.6-129.1 146.5 9.4 1.4 37.1 104 104 A I T 3 S+ 0 0 36 -2,-0.4 4,-0.2 1,-0.3 5,-0.2 0.619 103.3 76.9 -67.8 -12.6 11.3 1.1 33.9 105 105 A S T 3 S+ 0 0 94 2,-0.1 2,-0.6 3,-0.1 -1,-0.3 0.615 81.1 80.7 -70.6 -9.4 13.7 4.0 34.8 106 106 A T S X S- 0 0 7 -3,-2.1 3,-1.9 3,-0.0 -23,-0.1 -0.881 96.5-119.9 -95.9 116.8 15.4 1.3 37.1 107 107 A L T 3 S+ 0 0 92 -2,-0.6 3,-0.1 -25,-0.3 -2,-0.1 -0.376 97.6 34.4 -66.5 134.2 17.6 -0.7 34.7 108 108 A G T 3 S+ 0 0 14 1,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.113 85.2 118.5 107.6 -19.9 16.7 -4.3 34.7 109 109 A V < - 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0 0 20 -2,-1.3 60,-0.4 2,-0.2 -1,-0.2 0.352 58.2-127.9-106.2 2.1 -0.3 -18.9 49.1 183 183 A N S S+ 0 0 83 1,-0.2 7,-1.7 -3,-0.1 2,-0.4 0.634 73.3 109.0 57.6 22.1 -4.0 -18.8 49.8 184 184 A I E +E 189 0B 25 5,-0.2 -32,-0.3 6,-0.1 -2,-0.2 -0.983 32.8 157.1-133.1 133.6 -3.7 -15.3 51.2 185 185 A S E > -E 188 0B 40 3,-1.9 3,-1.2 -2,-0.4 71,-0.1 -0.665 61.7 -77.2-130.9-168.3 -4.8 -11.8 50.0 186 186 A I T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.2 70,-0.1 0.890 131.6 48.3 -67.3 -35.1 -5.5 -8.6 51.9 187 187 A E T 3 S- 0 0 170 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.431 117.3-118.1 -83.5 1.9 -8.9 -9.7 53.2 188 188 A G E < S+E 185 0B 8 -3,-1.2 -3,-1.9 65,-0.1 -1,-0.2 -0.842 80.4 44.1 106.6-134.9 -7.4 -13.0 54.3 189 189 A D E > -E 184 0B 81 -2,-0.4 3,-1.5 -5,-0.2 -5,-0.2 -0.351 65.9-142.7 -57.6 126.8 -8.2 -16.5 53.1 190 190 A V G >> S+ 0 0 5 -7,-1.7 3,-2.2 1,-0.3 4,-1.8 0.780 95.3 76.5 -61.3 -30.5 -8.5 -16.4 49.3 191 191 A G G 34 S+ 0 0 45 -8,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.651 79.5 71.6 -52.9 -19.1 -11.4 -19.0 49.7 192 192 A L G <4 S+ 0 0 133 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.756 120.7 11.9 -64.0 -27.0 -13.6 -16.1 50.8 193 193 A A T <4 S+ 0 0 76 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.441 127.7 39.1-129.2 -9.3 -13.5 -14.9 47.2 194 194 A F < + 0 0 27 -4,-1.8 -1,-0.3 1,-0.1 -38,-0.0 -0.954 35.1 151.3-156.8 126.8 -12.1 -17.6 44.9 195 195 A N + 0 0 151 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.112 30.1 148.9-146.1 27.2 -12.3 -21.3 44.6 196 196 A E - 0 0 76 1,-0.1 2,-1.3 2,-0.0 3,-0.1 -0.214 58.4-112.9 -55.6 148.8 -11.8 -22.1 40.8 197 197 A N > - 0 0 91 1,-0.2 4,-2.7 2,-0.1 5,-0.1 -0.772 38.1-170.7 -80.7 95.9 -10.1 -25.2 39.6 198 198 A V H > S+ 0 0 17 -2,-1.3 4,-2.2 1,-0.2 5,-0.2 0.884 78.6 53.5 -67.6 -35.7 -7.2 -23.3 38.4 199 199 A K H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 111.2 45.7 -60.8 -43.0 -5.6 -26.3 36.6 200 200 A X H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.931 110.1 56.2 -70.9 -40.7 -8.8 -26.9 34.7 201 201 A R H X S+ 0 0 25 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.930 111.9 41.0 -49.7 -54.6 -9.2 -23.2 33.9 202 202 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.3 0.853 111.3 54.2 -70.8 -35.5 -5.8 -23.0 32.2 203 203 A E H ><5S+ 0 0 85 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.905 102.8 59.6 -64.2 -35.4 -6.1 -26.3 30.5 204 204 A A H 3<5S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.5 49.1 -59.4 -29.0 -9.3 -25.0 29.0 205 205 A Q T 3<5S- 0 0 41 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.215 129.1 -95.2 -93.5 10.8 -7.2 -22.2 27.5 206 206 A G T < 5S+ 0 0 28 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.693 77.3 137.8 88.6 23.7 -4.6 -24.5 26.0 207 207 A F < - 0 0 4 -5,-2.5 2,-0.4 25,-0.1 -1,-0.2 -0.611 52.4-129.8 -98.1 154.5 -1.9 -24.5 28.8 208 208 A E E -d 234 0A 60 25,-2.3 27,-2.6 -2,-0.2 2,-0.5 -0.889 32.2-151.8 -89.3 136.1 0.2 -27.3 30.3 209 209 A V E -d 235 0A 12 -2,-0.4 2,-0.3 25,-0.2 27,-0.2 -0.964 16.0-174.7-122.8 123.5 -0.2 -27.1 34.0 210 210 A L E -d 236 0A 20 25,-2.9 27,-3.6 -2,-0.5 2,-0.5 -0.880 11.2-152.1-112.4 150.9 2.4 -28.3 36.6 211 211 A S E +d 237 0A 77 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.968 24.6 161.5-132.3 117.4 1.7 -28.3 40.3 212 212 A I E -d 238 0A 21 25,-3.2 27,-3.2 -2,-0.5 2,-0.7 -0.880 47.4-106.9-132.9 164.9 4.5 -27.9 42.9 213 213 A N E > -d 239 0A 71 -2,-0.3 3,-1.5 25,-0.2 7,-0.2 -0.846 33.5-152.3 -82.4 115.0 5.7 -27.1 46.4 214 214 A G T 3 S+ 0 0 0 25,-2.8 -176,-0.4 -2,-0.7 -177,-0.1 0.341 90.1 55.4 -80.3 5.4 7.3 -23.7 45.9 215 215 A H T 3 S+ 0 0 30 24,-0.3 2,-0.7 -178,-0.1 -1,-0.3 0.207 85.2 92.0-113.3 10.1 9.6 -24.2 48.8 216 216 A D <> - 0 0 63 -3,-1.5 4,-2.3 1,-0.2 3,-0.4 -0.882 63.1-158.1-105.7 109.7 11.1 -27.5 47.6 217 217 A Y H > S+ 0 0 26 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.848 89.2 47.6 -57.0 -42.5 14.2 -26.7 45.5 218 218 A E H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 112.0 50.5 -67.4 -35.4 14.3 -29.9 43.5 219 219 A E H > S+ 0 0 78 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.906 111.4 48.7 -69.2 -38.9 10.6 -29.7 42.7 220 220 A I H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.938 113.0 47.7 -61.8 -49.9 11.0 -26.1 41.5 221 221 A N H X S+ 0 0 40 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.8 49.7 -59.3 -44.9 13.9 -27.1 39.4 222 222 A K H X S+ 0 0 147 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.894 110.6 51.5 -61.9 -39.0 12.2 -30.1 37.9 223 223 A A H X S+ 0 0 2 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.910 109.3 49.7 -64.6 -42.5 9.1 -28.0 37.0 224 224 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.934 110.6 49.9 -63.7 -44.9 11.3 -25.3 35.3 225 225 A E H X S+ 0 0 86 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.915 115.0 42.9 -55.5 -45.3 13.0 -28.0 33.3 226 226 A Q H >< S+ 0 0 85 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.933 113.2 54.0 -69.0 -42.7 9.7 -29.5 32.2 227 227 A A H >< S+ 0 0 3 -4,-3.6 3,-1.8 1,-0.3 -2,-0.2 0.922 102.9 55.7 -58.5 -42.7 8.2 -26.0 31.5 228 228 A K H 3< S+ 0 0 54 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 109.6 47.9 -65.6 -16.9 11.0 -25.1 29.2 229 229 A K T << S+ 0 0 168 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.370 85.4 126.3 -98.2 0.8 10.3 -28.1 27.1 230 230 A S < - 0 0 11 -3,-1.8 4,-0.1 -4,-0.4 -3,-0.0 -0.210 53.0-153.6 -65.3 146.1 6.5 -27.6 26.9 231 231 A T S S+ 0 0 110 2,-0.1 -58,-0.2 -57,-0.0 -1,-0.1 0.304 83.9 51.5 -93.8 6.6 4.8 -27.5 23.6 232 232 A K S S- 0 0 104 -5,-0.1 -25,-0.1 -59,-0.1 2,-0.1 -0.893 106.1 -81.6-127.7 157.3 2.1 -25.2 25.2 233 233 A P - 0 0 1 0, 0.0 -25,-2.3 0, 0.0 2,-0.4 -0.431 59.8-140.3 -52.1 139.1 2.1 -22.1 27.3 234 234 A C E -cd 176 208A 0 -59,-2.4 -57,-3.2 -62,-0.3 2,-0.5 -0.931 19.3-162.4-122.0 133.8 2.9 -23.5 30.7 235 235 A L E -cd 177 209A 0 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.6 -0.964 5.8-158.9-111.2 125.4 1.6 -22.6 34.2 236 236 A I E -cd 178 210A 3 -59,-3.3 -57,-3.1 -2,-0.5 2,-1.0 -0.945 7.3-154.6 -98.8 114.1 3.4 -23.6 37.3 237 237 A I E -cd 179 211A 26 -27,-3.6 -25,-3.2 -2,-0.6 2,-0.7 -0.811 16.1-168.7 -89.0 106.0 1.1 -23.7 40.3 238 238 A A E -cd 180 212A 0 -59,-2.7 -57,-2.1 -2,-1.0 2,-0.5 -0.841 12.3-148.8-105.7 108.6 3.5 -23.2 43.2 239 239 A K E +cd 181 213A 158 -27,-3.2 -25,-2.8 -2,-0.7 -24,-0.3 -0.629 32.8 164.2 -76.1 121.1 2.0 -23.7 46.6 240 240 A T - 0 0 7 -59,-1.8 2,-0.6 -2,-0.5 -206,-0.1 -0.867 39.1-119.7-132.8 168.2 3.8 -21.4 49.0 241 241 A T > - 0 0 50 -2,-0.3 3,-1.6 -207,-0.2 -59,-0.1 -0.953 35.4-117.8-109.0 126.7 3.4 -20.0 52.5 242 242 A I T 3 S+ 0 0 4 -2,-0.6 9,-2.6 -60,-0.4 10,-0.3 -0.312 100.0 10.0 -60.7 137.4 3.2 -16.2 52.6 243 243 A A T > S- 0 0 0 -213,-2.0 3,-2.8 7,-0.2 -1,-0.3 0.793 88.6-166.5 57.4 34.2 6.2 -14.7 54.7 244 244 A K T < S+ 0 0 70 -3,-1.6 -1,-0.2 -214,-0.3 -208,-0.1 -0.246 72.6 25.3 -49.0 124.2 7.9 -18.2 54.7 245 245 A G T 3 S+ 0 0 32 -3,-0.1 -1,-0.3 2,-0.1 26,-0.1 0.184 92.6 102.9 103.7 -13.5 10.6 -18.0 57.3 246 246 A A X - 0 0 2 -3,-2.8 3,-2.2 1,-0.2 -2,-0.1 -0.031 68.4-148.7 -98.9 36.5 9.1 -15.2 59.4 247 247 A G G > S+ 0 0 53 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 -0.135 81.0 24.5 46.7-111.2 7.8 -17.4 62.2 248 248 A E G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.0 0.696 125.2 54.8 -62.2 -17.1 4.7 -16.0 63.9 249 249 A L G X S+ 0 0 23 -3,-2.2 3,-2.2 -6,-0.1 6,-0.3 0.509 75.8 121.5 -94.2 -4.9 3.9 -14.2 60.6 250 250 A E T < S+ 0 0 76 -3,-1.9 -7,-0.2 1,-0.3 3,-0.1 -0.346 88.1 4.4 -56.5 134.2 4.0 -17.2 58.3 251 251 A G T 3 S+ 0 0 38 -9,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.591 101.3 133.4 67.8 10.2 0.6 -17.6 56.6 252 252 A S X - 0 0 22 -3,-2.2 3,-1.3 -10,-0.3 -1,-0.2 -0.778 57.3-145.5 -99.3 139.6 -0.7 -14.4 58.1 253 253 A H G > S+ 0 0 90 -2,-0.4 3,-1.8 1,-0.3 4,-0.5 0.740 98.3 73.3 -67.7 -19.7 -2.5 -11.7 56.0 254 254 A K G 3 S+ 0 0 146 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.709 89.5 60.0 -67.5 -20.6 -0.8 -9.2 58.3 255 255 A S G < S+ 0 0 0 -3,-1.3 -225,-1.9 -6,-0.3 -1,-0.3 0.464 86.1 79.9 -78.7 -6.9 2.5 -9.9 56.4 256 256 A H S < S+ 0 0 36 -3,-1.8 -225,-0.4 -227,-0.2 -226,-0.3 0.944 110.6 6.7 -64.5 -48.0 1.1 -8.9 53.0 257 257 A G S S+ 0 0 38 -4,-0.5 -230,-0.4 -3,-0.2 -1,-0.2 0.100 112.6 62.2-138.0 21.9 1.4 -5.2 53.3 258 258 A A S S- 0 0 44 -4,-0.4 -228,-0.1 -232,-0.1 -232,-0.1 -0.977 87.0 -80.0-151.1 153.0 3.3 -4.0 56.4 259 259 A P - 0 0 34 0, 0.0 -2,-0.1 0, 0.0 -232,-0.1 -0.157 34.4-128.7 -53.0 148.1 6.8 -4.4 57.9 260 260 A L - 0 0 11 -242,-0.2 4,-0.3 1,-0.1 3,-0.1 0.796 50.1-115.5 -71.2 -26.1 7.5 -7.6 59.7 261 261 A G > - 0 0 25 3,-0.1 4,-2.0 1,-0.1 5,-0.2 0.085 21.5 -90.3 101.7 147.0 8.8 -5.8 62.8 262 262 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.862 122.4 48.0 -60.5 -38.0 12.4 -5.8 64.2 263 263 A E H > S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 109.7 52.4 -78.3 -34.9 11.9 -8.8 66.6 264 264 A V H > S+ 0 0 21 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.911 111.6 47.0 -61.0 -42.7 10.3 -11.0 64.0 265 265 A I H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.925 109.0 55.2 -65.0 -40.8 13.3 -10.3 61.6 266 266 A K H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.956 111.5 43.9 -56.4 -52.0 15.8 -11.0 64.5 267 267 A K H X S+ 0 0 115 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.864 111.9 53.7 -58.3 -41.0 14.2 -14.5 65.1 268 268 A A H X S+ 0 0 8 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.887 109.2 47.1 -63.6 -43.7 14.0 -15.2 61.4 269 269 A K H >X>S+ 0 0 10 -4,-2.5 5,-2.6 2,-0.2 4,-0.6 0.924 110.7 53.7 -64.9 -43.3 17.6 -14.5 60.9 270 270 A E H ><5S+ 0 0 117 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.941 108.3 48.8 -55.7 -51.4 18.5 -16.7 64.0 271 271 A Q H 3<5S+ 0 0 169 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.749 113.5 47.9 -60.9 -27.0 16.6 -19.7 62.6 272 272 A A H <<5S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.405 118.4-107.3 -93.8 -1.7 18.3 -19.3 59.2 273 273 A G T <<5S+ 0 0 72 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.667 76.3 133.1 85.8 14.9 21.9 -19.0 60.6 274 274 A F < - 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0 0 0 0, 0.0 -23,-2.2 0, 0.0 2,-0.3 -0.198 39.9-155.7 -64.9 161.4 2.2 7.8 23.5 493 493 A S E -kl 436 469D 0 -58,-1.0 -56,-2.4 -25,-0.2 2,-0.4 -0.974 6.5-147.6-137.8 150.0 -0.7 9.4 21.5 494 494 A A E -kl 437 470D 0 -25,-2.7 -23,-3.0 -2,-0.3 2,-0.5 -0.937 9.4-145.2-115.2 152.1 -4.3 8.6 20.9 495 495 A F E -kl 438 471D 0 -58,-2.8 -56,-3.0 -2,-0.4 2,-0.7 -0.966 8.5-159.6-117.1 120.8 -6.2 9.4 17.7 496 496 A V E -k 439 0D 1 -25,-3.3 2,-0.3 -2,-0.5 -56,-0.2 -0.898 23.1-178.9-110.7 113.2 -9.8 10.3 18.2 497 497 A L - 0 0 0 -58,-3.1 -55,-1.6 -2,-0.7 2,-0.2 -0.792 22.1-116.2-127.2 148.4 -11.6 9.8 15.0 498 498 A S - 0 0 1 -2,-0.3 -157,-1.5 -57,-0.2 -156,-0.2 -0.565 1.6-154.0 -87.0 150.1 -15.1 10.2 13.5 499 499 A R S S+ 0 0 95 -2,-0.2 -1,-0.1 -159,-0.1 -160,-0.1 0.870 82.8 65.7 -74.9 -41.2 -17.6 7.6 12.1 500 500 A Q S S- 0 0 25 1,-0.1 -160,-0.5 -162,-0.1 -159,-0.2 -0.395 97.9 -90.2 -92.7 159.0 -19.2 10.2 9.9 501 501 A K - 0 0 158 -162,-0.2 -162,-0.3 -2,-0.1 2,-0.3 -0.380 41.5-160.6 -67.2 131.5 -17.8 12.1 7.0 502 502 A L B -F 338 0C 18 -164,-2.0 -164,-1.2 -2,-0.1 2,-0.4 -0.783 20.6-108.1-108.4 160.5 -16.1 15.5 7.8 503 503 A K - 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0 0 0 51,-0.8 3,-2.1 -2,-0.3 4,-0.3 -0.915 59.1 -21.3-129.7 161.1 -11.6 20.3 17.4 534 534 A G G > S+ 0 0 2 -62,-1.7 3,-1.9 -2,-0.3 4,-0.4 -0.034 127.9 6.2 50.5-130.7 -12.5 17.5 15.1 535 535 A S G 3 S+ 0 0 21 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.576 125.2 63.1 -63.5 -12.7 -16.0 17.5 13.8 536 536 A E G <> S+ 0 0 4 -3,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.599 78.7 84.1 -91.1 -10.7 -16.9 20.8 15.3 537 537 A V H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.918 90.6 48.7 -60.7 -43.4 -14.4 22.9 13.3 538 538 A W H > S+ 0 0 73 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.896 106.9 55.7 -66.2 -33.1 -16.7 23.3 10.2 539 539 A L H > S+ 0 0 25 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.908 110.6 47.4 -61.0 -39.6 -19.6 24.3 12.4 540 540 A C H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.910 109.1 51.3 -70.3 -41.2 -17.3 27.0 13.7 541 541 A L H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.942 114.4 45.0 -59.8 -48.5 -16.2 28.1 10.2 542 542 A E H X S+ 0 0 95 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.880 113.5 49.2 -59.6 -39.9 -19.8 28.4 9.1 543 543 A S H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.900 108.5 53.2 -71.6 -38.4 -20.9 30.2 12.2 544 544 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.869 107.8 52.0 -63.7 -35.6 -17.9 32.7 11.9 545 545 A N H X S+ 0 0 62 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.946 111.1 46.9 -63.5 -47.4 -19.1 33.5 8.3 546 546 A E H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 111.7 50.6 -59.3 -47.8 -22.6 34.2 9.6 547 547 A L H <>S+ 0 0 0 -4,-3.1 5,-2.6 2,-0.2 4,-0.3 0.909 110.9 49.2 -52.8 -45.9 -21.2 36.3 12.4 548 548 A E H ><5S+ 0 0 60 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.914 108.1 53.1 -61.3 -45.0 -19.1 38.3 9.8 549 549 A K H 3<5S+ 0 0 154 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.888 108.9 51.4 -58.4 -35.7 -22.2 38.8 7.6 550 550 A Q T 3<5S- 0 0 97 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.488 130.3 -97.3 -78.8 -4.0 -23.9 40.2 10.7 551 551 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.651 82.7 125.1 102.8 18.3 -20.9 42.6 11.3 552 552 A F < - 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0 0 0 15,-1.7 2,-2.4 -2,-0.5 4,-0.2 -0.989 52.4-124.3-154.7 138.1 -16.9 20.5 21.1 586 586 A A S S+ 0 0 2 -2,-0.3 2,-0.3 -53,-0.2 -142,-0.3 -0.417 90.1 74.6 -78.7 66.9 -19.2 17.5 21.0 587 587 A A S S- 0 0 5 -2,-2.4 15,-2.0 -144,-0.1 2,-1.1 -0.968 94.7-100.7-161.9 166.5 -18.0 16.4 24.5 588 588 A H + 0 0 64 -132,-2.9 2,-0.5 -2,-0.3 -128,-0.2 -0.808 58.6 160.3 -96.5 95.1 -18.3 17.4 28.1 589 589 A S > + 0 0 1 -2,-1.1 3,-1.9 -4,-0.2 4,-0.1 -0.688 18.1 161.6-130.2 71.3 -15.0 19.3 28.1 590 590 A N G > + 0 0 87 -2,-0.5 3,-1.7 1,-0.3 4,-0.2 0.656 69.2 79.5 -62.2 -22.5 -14.8 21.7 31.0 591 591 A E G > S+ 0 0 43 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.713 75.3 77.1 -56.7 -21.2 -11.0 21.7 30.5 592 592 A L G X> S+ 0 0 0 -3,-1.9 3,-2.0 1,-0.3 4,-1.4 0.712 73.3 78.7 -64.8 -22.4 -11.6 24.1 27.6 593 593 A Y G <4 S+ 0 0 124 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.661 77.8 73.1 -57.4 -18.3 -12.2 26.9 30.1 594 594 A K G <4 S+ 0 0 125 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.870 118.0 15.3 -60.4 -31.1 -8.4 27.0 30.3 595 595 A F T <4 S+ 0 0 18 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.437 122.6 64.4-118.9 -9.4 -8.5 28.7 26.8 596 596 A C < - 0 0 8 -4,-1.4 -14,-0.2 1,-0.1 3,-0.1 -0.938 56.7-152.2-127.8 140.0 -12.1 29.8 26.4 597 597 A H S S+ 0 0 122 -16,-1.7 2,-0.3 -2,-0.3 -15,-0.2 0.803 93.0 23.0 -75.2 -31.6 -14.4 32.2 28.1 598 598 A K E S-r 582 0E 52 -17,-2.0 -15,-2.7 -6,-0.1 2,-0.4 -0.965 71.2-151.2-130.5 152.3 -17.5 30.2 27.2 599 599 A V E -r 583 0E 21 -2,-0.3 2,-0.7 -17,-0.2 -15,-0.2 -0.992 3.6-163.6-128.0 128.8 -17.9 26.5 26.4 600 600 A Y E +r 584 0E 32 -17,-3.6 -15,-1.7 -2,-0.4 2,-0.1 -0.909 43.7 127.2-114.6 94.0 -20.5 25.1 24.1 601 601 A G - 0 0 26 -2,-0.7 2,-0.5 -17,-0.2 -13,-0.2 -0.363 63.0 -78.9-127.9-158.4 -20.5 21.4 24.8 602 602 A I + 0 0 2 -15,-2.0 4,-0.1 -146,-0.1 17,-0.0 -0.990 32.7 179.6-120.6 126.2 -22.6 18.5 25.8 603 603 A E + 0 0 168 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.395 64.0 44.3-109.1 4.2 -23.6 18.2 29.4 604 604 A S S S- 0 0 56 1,-0.1 2,-0.1 -148,-0.0 -2,-0.0 -0.688 94.8 -80.0-131.5 178.4 -25.7 15.0 29.4 605 605 A F - 0 0 136 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.331 55.4-102.5 -71.7 170.0 -25.5 11.6 27.9 606 606 A G - 0 0 4 -152,-0.3 2,-0.3 -155,-0.2 -1,-0.2 0.287 26.4-119.0 -77.7-164.3 -26.5 11.1 24.2 607 607 A E - 0 0 89 -160,-0.1 2,-0.6 -163,-0.1 -157,-0.3 -0.988 20.3-110.7-145.2 148.6 -29.5 9.8 22.3 608 608 A S S S+ 0 0 80 -2,-0.3 2,-0.3 -159,-0.2 -160,-0.2 -0.692 70.2 96.0 -81.5 117.2 -30.2 7.0 19.9 609 609 A G S S- 0 0 18 -2,-0.6 -159,-0.2 -162,-0.4 -160,-0.1 -0.952 79.1 -48.4-178.7 173.4 -31.0 8.6 16.5 610 610 A K > - 0 0 128 -2,-0.3 4,-2.6 -163,-0.2 3,-0.5 -0.341 57.5-117.4 -54.6 136.4 -29.9 9.6 13.1 611 611 A D H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.869 115.3 49.2 -46.2 -46.8 -26.6 11.6 13.4 612 612 A K H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 112.0 49.0 -65.8 -36.0 -28.1 14.7 11.9 613 613 A D H > S+ 0 0 104 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.892 113.9 45.7 -66.2 -43.0 -31.1 14.4 14.3 614 614 A V H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.931 111.3 50.6 -71.3 -41.1 -28.9 14.0 17.4 615 615 A F H <>S+ 0 0 30 -4,-2.7 5,-2.8 -5,-0.3 4,-0.2 0.915 112.7 48.2 -61.7 -39.8 -26.5 16.8 16.5 616 616 A E H ><5S+ 0 0 90 -4,-1.8 3,-1.7 -5,-0.3 -2,-0.2 0.952 109.6 52.2 -66.6 -44.5 -29.5 19.1 16.1 617 617 A R H 3<5S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 109.4 50.2 -55.0 -40.1 -31.0 18.0 19.4 618 618 A F T 3<5S- 0 0 22 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.391 121.8-105.6 -88.5 7.9 -27.7 18.8 21.1 619 619 A G T < 5S+ 0 0 7 -3,-1.7 2,-1.6 -4,-0.2 -3,-0.2 0.582 70.7 143.2 90.1 8.6 -27.5 22.2 19.6 620 620 A F < + 0 0 18 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.640 38.8 107.9 -90.7 79.6 -24.7 21.7 17.0 621 621 A S S > S- 0 0 17 -2,-1.6 4,-2.6 1,-0.1 5,-0.3 -0.964 77.4-116.7-149.3 147.9 -26.2 23.9 14.3 622 622 A V H > S+ 0 0 44 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.930 113.7 50.8 -53.6 -50.7 -25.1 27.3 13.0 623 623 A S H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 114.8 42.9 -58.7 -42.1 -28.3 29.1 14.1 624 624 A K H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 115.7 46.7 -72.9 -36.9 -28.1 27.7 17.6 625 625 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.936 112.8 50.0 -73.8 -40.4 -24.3 28.3 18.0 626 626 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.944 109.7 52.1 -62.1 -44.2 -24.6 31.9 16.6 627 627 A N H <>S+ 0 0 88 -4,-2.2 5,-2.8 -5,-0.3 -1,-0.2 0.905 111.1 47.2 -59.5 -40.2 -27.5 32.6 19.0 628 628 A F H ><5S+ 0 0 72 -4,-2.0 3,-1.7 3,-0.2 -1,-0.2 0.929 111.4 50.2 -61.2 -45.6 -25.4 31.4 22.0 629 629 A I H 3<5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.897 112.7 45.9 -65.2 -38.0 -22.4 33.5 20.9 630 630 A L T 3<5S- 0 0 39 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.304 112.1-125.1 -86.1 11.6 -24.6 36.6 20.5 631 631 A S T < 5 0 0 94 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.875 360.0 360.0 43.1 52.0 -26.2 35.7 24.0 632 632 A K < 0 0 103 -5,-2.8 -4,-0.1 -6,-0.1 -3,-0.0 -0.083 360.0 360.0 156.6 360.0 -29.8 35.8 22.5