==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINE/CARBOXYLATE LIGASE 04-JAN-99 2HGS . COMPND 2 MOLECULE: PROTEIN (GLUTATHIONE SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.POLEKHINA,P.BOARD,J.ROSSJOHN,M.W.PARKER . 472 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 2 2 2 1 0 3 1 1 3 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 4 0 2 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 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 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 3 A T 0 0 88 0, 0.0 53,-0.1 0, 0.0 469,-0.0 0.000 360.0 360.0 360.0 -83.9 68.3 -4.5 6.8 2 4 A N + 0 0 99 1,-0.2 4,-0.3 2,-0.1 3,-0.1 -0.078 360.0 179.9 -42.5 112.3 70.1 -1.2 6.8 3 5 A W S >> S+ 0 0 8 402,-0.3 3,-2.1 1,-0.2 4,-0.9 0.822 70.4 77.7 -86.2 -32.1 67.9 1.5 5.5 4 6 A G G >4 S+ 0 0 8 1,-0.3 3,-0.8 401,-0.3 4,-0.3 0.805 89.3 59.5 -44.3 -39.6 70.4 4.3 5.9 5 7 A S G >4 S+ 0 0 83 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.791 105.1 47.2 -63.1 -31.1 72.1 3.0 2.7 6 8 A L G <4 S+ 0 0 24 -3,-2.1 3,-0.3 -4,-0.3 -1,-0.2 0.576 104.0 64.6 -86.7 -8.7 69.0 3.5 0.6 7 9 A L G << S+ 0 0 7 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.405 81.8 75.0 -94.4 -0.7 68.3 7.0 2.0 8 10 A Q S < S+ 0 0 120 -3,-0.5 2,-0.8 -4,-0.3 -1,-0.2 0.694 78.1 78.2 -86.3 -19.6 71.4 8.8 0.7 9 11 A D > - 0 0 76 -3,-0.3 4,-1.6 -4,-0.2 5,-0.1 -0.778 63.5-163.7 -99.2 106.8 70.4 9.1 -3.0 10 12 A K H > S+ 0 0 157 -2,-0.8 4,-1.9 2,-0.2 -1,-0.1 0.731 82.4 49.5 -55.8 -41.4 67.9 11.9 -3.5 11 13 A Q H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 114.7 47.9 -70.9 -41.9 66.3 11.3 -6.9 12 14 A Q H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.814 110.0 53.6 -64.6 -31.8 65.7 7.7 -5.9 13 15 A L H X S+ 0 0 24 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.964 106.3 50.6 -65.5 -51.8 64.2 8.9 -2.5 14 16 A E H X S+ 0 0 117 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.853 114.4 47.5 -52.3 -38.9 61.7 11.2 -4.1 15 17 A E H X S+ 0 0 77 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.855 111.5 45.9 -77.9 -40.5 60.7 8.2 -6.3 16 18 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.787 113.2 52.4 -69.5 -29.8 60.3 5.6 -3.6 17 19 A A H X S+ 0 0 12 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.875 108.2 50.1 -69.8 -39.9 58.4 8.1 -1.5 18 20 A R H X S+ 0 0 120 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.932 112.2 49.1 -61.5 -42.5 56.0 8.8 -4.5 19 21 A Q H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 112.4 46.7 -60.3 -48.6 55.6 5.0 -4.8 20 22 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.943 110.9 51.1 -61.6 -49.2 54.9 4.5 -1.1 21 23 A V H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.909 111.0 47.2 -59.8 -45.4 52.4 7.3 -0.8 22 24 A D H X S+ 0 0 111 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.917 114.9 45.9 -65.9 -39.6 50.3 6.2 -3.7 23 25 A R H X S+ 0 0 86 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.876 110.7 55.1 -68.2 -37.2 50.2 2.6 -2.5 24 26 A A H <>S+ 0 0 0 -4,-3.2 5,-2.3 2,-0.2 -2,-0.2 0.902 110.1 44.7 -62.4 -45.3 49.4 3.8 1.0 25 27 A L H ><5S+ 0 0 61 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.945 112.4 52.5 -65.2 -41.0 46.4 5.7 -0.3 26 28 A A H 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.8 52.3 -62.8 -30.4 45.3 2.8 -2.4 27 29 A E T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.411 120.7-106.6 -85.6 4.5 45.4 0.5 0.6 28 30 A G T < 5 + 0 0 14 -3,-2.0 2,-2.0 1,-0.2 -3,-0.2 0.694 66.8 148.6 85.1 17.5 43.2 2.7 2.7 29 31 A V < + 0 0 0 -5,-2.3 17,-1.3 127,-0.2 2,-0.3 -0.565 38.4 147.1 -85.0 76.3 45.9 4.1 5.1 30 32 A L E -A 45 0A 32 -2,-2.0 2,-0.3 15,-0.3 15,-0.3 -0.875 38.3-177.2-123.6 158.5 44.0 7.4 5.4 31 33 A L E -A 44 0A 12 13,-2.3 13,-2.6 -2,-0.3 183,-0.2 -0.965 38.5-107.2-136.5 152.5 43.1 10.2 7.7 32 34 A R E -A 43 0A 24 181,-2.5 11,-0.2 -2,-0.3 8,-0.1 -0.382 52.1 -92.4 -71.1 163.0 40.8 13.2 7.1 33 35 A T - 0 0 10 9,-0.8 3,-0.4 6,-0.3 6,-0.2 -0.316 28.3-120.7 -71.6 162.5 42.8 16.4 6.5 34 36 A S S S+ 0 0 71 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.859 110.9 59.8 -74.6 -33.3 43.4 18.6 9.6 35 37 A Q S S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.720 117.9 27.9 -68.3 -19.8 41.6 21.5 8.0 36 38 A E > + 0 0 102 -3,-0.4 3,-2.4 3,-0.1 -3,-0.3 -0.459 66.2 162.8-139.5 63.7 38.4 19.6 7.7 37 39 A P T 3 S+ 0 0 24 0, 0.0 175,-2.4 0, 0.0 -5,-0.1 0.529 78.6 53.1 -61.3 -6.8 38.2 16.9 10.4 38 40 A T T 3 S+ 0 0 73 173,-0.2 2,-0.4 -3,-0.1 173,-0.1 0.378 98.6 78.9-107.9 1.6 34.5 16.5 9.9 39 41 A S < - 0 0 27 -3,-2.4 -6,-0.3 -6,-0.2 3,-0.3 -0.918 44.6-176.7-119.2 137.2 34.7 15.9 6.2 40 42 A S + 0 0 53 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.101 69.5 98.9-100.9 16.0 35.6 12.8 4.1 41 43 A E S S+ 0 0 179 1,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.804 97.5 19.7 -73.6 -22.5 35.2 14.8 0.9 42 44 A V S S+ 0 0 88 -3,-0.3 -9,-0.8 -6,-0.2 2,-0.3 -0.995 77.6 162.4-144.1 137.8 39.0 15.2 1.0 43 45 A V E -A 32 0A 52 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.903 16.2-154.4-147.6 173.5 41.6 13.0 2.8 44 46 A S E -A 31 0A 29 -13,-2.6 -13,-2.3 -2,-0.3 2,-0.2 -0.791 36.1 -75.1-142.4-179.1 45.3 12.1 2.9 45 47 A Y E -A 30 0A 34 -15,-0.3 -15,-0.3 -2,-0.2 3,-0.1 -0.531 46.2-115.8 -79.6 148.5 47.7 9.3 4.0 46 48 A A - 0 0 0 -17,-1.3 -1,-0.1 -2,-0.2 363,-0.1 -0.556 49.8 -87.5 -79.9 150.6 48.3 8.8 7.7 47 49 A P + 0 0 8 0, 0.0 419,-2.6 0, 0.0 2,-0.3 -0.307 62.4 162.5 -61.8 146.4 52.0 9.5 8.4 48 50 A F E -Bc 409 466B 2 361,-2.2 361,-2.8 417,-0.3 2,-0.3 -0.986 38.7 -96.3-159.8 163.7 54.3 6.4 7.9 49 51 A T E -B 408 0B 0 417,-2.1 359,-0.2 -2,-0.3 417,-0.0 -0.647 24.3-132.9 -87.0 154.8 57.9 5.3 7.5 50 52 A L S S+ 0 0 0 357,-2.7 -1,-0.1 -2,-0.3 114,-0.1 0.893 93.6 26.1 -68.4 -38.3 59.3 4.6 4.1 51 53 A F S S- 0 0 0 356,-0.3 2,-0.5 113,-0.1 417,-0.2 -0.861 93.0-100.3-125.0 159.9 60.8 1.4 5.3 52 54 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 415,-0.1 -0.644 43.9-118.5 -79.0 126.3 59.8 -1.0 8.1 53 55 A S - 0 0 0 -2,-0.5 417,-3.4 415,-0.3 2,-0.1 -0.359 28.2-107.5 -67.9 137.3 62.1 -0.5 11.2 54 56 A L E -i 470 0C 58 415,-0.2 -1,-0.1 -53,-0.1 350,-0.0 -0.428 39.9-176.5 -63.1 135.5 64.2 -3.4 12.4 55 57 A V E -i 471 0C 0 415,-3.8 417,-2.5 -2,-0.1 2,-0.2 -0.995 33.7-109.1-137.9 130.9 63.0 -5.0 15.6 56 58 A P >> - 0 0 42 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.376 26.0-140.9 -55.8 119.7 64.7 -7.8 17.5 57 59 A S H 3> S+ 0 0 42 415,-3.0 4,-2.5 1,-0.2 5,-0.2 0.875 98.4 59.0 -55.5 -37.3 62.4 -10.9 16.9 58 60 A A H 3> S+ 0 0 60 414,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.874 106.2 46.9 -61.2 -37.3 62.9 -12.0 20.5 59 61 A L H <> S+ 0 0 12 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.862 111.1 50.8 -72.4 -34.6 61.5 -8.8 21.9 60 62 A L H X S+ 0 0 11 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.928 111.9 48.5 -66.9 -38.8 58.5 -8.9 19.6 61 63 A E H X S+ 0 0 128 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.931 111.3 50.7 -65.4 -42.1 57.9 -12.5 20.7 62 64 A Q H X S+ 0 0 67 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.881 107.7 51.7 -62.3 -41.9 58.2 -11.4 24.4 63 65 A A H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.878 112.6 46.9 -64.0 -39.2 55.8 -8.5 24.0 64 66 A Y H >X S+ 0 0 49 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.898 107.5 56.2 -69.6 -44.6 53.3 -11.0 22.4 65 67 A A H 3< S+ 0 0 62 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.732 109.2 47.4 -64.7 -15.7 53.8 -13.6 25.2 66 68 A V T 3X S+ 0 0 2 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.583 86.7 86.0-102.2 -3.4 52.9 -11.1 27.9 67 69 A Q H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 5,-0.3 0.922 88.0 51.7 -63.2 -46.0 49.7 -9.6 26.5 68 70 A M H X S+ 0 0 90 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.908 110.8 51.2 -58.3 -35.3 47.4 -12.3 27.9 69 71 A D H > S+ 0 0 12 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.928 110.1 47.9 -66.1 -43.4 49.0 -11.5 31.3 70 72 A F H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.876 108.3 54.2 -65.9 -37.1 48.4 -7.8 31.0 71 73 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.944 111.2 47.0 -62.1 -42.2 44.8 -8.3 29.9 72 74 A L H X S+ 0 0 49 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.958 113.4 49.3 -61.5 -42.4 44.4 -10.4 33.1 73 75 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.958 110.5 47.3 -61.8 -49.7 46.1 -7.7 35.2 74 76 A V H X S+ 0 0 5 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.911 112.9 50.7 -60.9 -38.3 44.1 -4.9 33.9 75 77 A D H X S+ 0 0 10 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.902 109.2 50.1 -69.5 -33.7 40.9 -6.9 34.4 76 78 A A H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 3,-0.5 0.940 110.6 51.4 -68.5 -40.9 41.9 -7.7 38.1 77 79 A V H < S+ 0 0 1 -4,-2.8 7,-0.3 1,-0.3 -1,-0.2 0.935 106.5 52.0 -59.2 -45.8 42.6 -4.1 38.8 78 80 A S H < S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.802 113.2 46.0 -63.7 -28.6 39.2 -2.9 37.4 79 81 A Q H < S+ 0 0 92 -4,-1.2 2,-1.2 -3,-0.5 -1,-0.2 0.754 94.0 80.8 -86.0 -23.1 37.4 -5.4 39.7 80 82 A N X - 0 0 55 -4,-2.0 4,-1.6 1,-0.2 -1,-0.1 -0.618 57.1-178.2 -82.5 99.0 39.4 -4.7 42.9 81 83 A A H > S+ 0 0 34 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.896 75.8 54.5 -68.8 -35.1 37.8 -1.6 44.3 82 84 A A H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.899 105.6 54.0 -66.3 -39.4 39.9 -1.1 47.4 83 85 A F H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.946 110.9 45.8 -57.1 -47.7 43.1 -1.2 45.3 84 86 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -7,-0.3 -2,-0.2 0.901 113.7 47.1 -65.7 -41.2 41.7 1.6 43.0 85 87 A E H X S+ 0 0 94 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.981 116.6 43.4 -66.5 -48.3 40.5 3.8 45.8 86 88 A Q H >X S+ 0 0 151 -4,-2.6 3,-0.9 -5,-0.2 4,-0.5 0.977 116.2 49.1 -59.1 -51.3 43.8 3.5 47.8 87 89 A T H 3< S+ 0 0 5 -4,-3.1 4,-0.4 -5,-0.3 3,-0.3 0.912 122.3 32.6 -50.6 -48.2 45.9 3.9 44.7 88 90 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.3 0.453 87.5 104.9 -93.8 0.4 44.0 7.0 43.5 89 91 A S H << S+ 0 0 57 -4,-1.4 4,-0.4 -3,-0.9 -1,-0.2 0.932 90.3 35.1 -49.8 -47.6 43.2 8.4 46.9 90 92 A S T >X S+ 0 0 20 -4,-0.5 3,-0.9 -3,-0.3 4,-0.7 0.889 114.3 56.4 -77.1 -31.4 45.8 11.1 46.6 91 93 A T H >> S+ 0 0 0 -4,-0.4 4,-2.8 1,-0.2 3,-1.4 0.925 101.8 57.5 -63.0 -47.0 45.5 11.7 42.9 92 94 A I H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.643 100.5 56.0 -61.8 -12.9 41.8 12.5 43.1 93 95 A K H <4 S+ 0 0 157 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.724 120.4 31.3 -89.2 -20.6 42.3 15.3 45.7 94 96 A Q H << S+ 0 0 62 -3,-1.4 2,-0.7 -4,-0.7 -2,-0.2 0.663 112.4 61.2-107.3 -18.4 44.6 17.0 43.3 95 97 A D X - 0 0 10 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 -0.888 56.1-165.6-118.6 110.2 43.4 16.1 39.8 96 98 A D H > S+ 0 0 89 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.941 89.7 51.4 -54.9 -47.0 39.9 17.1 38.8 97 99 A F H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 111.8 45.1 -58.6 -47.3 39.8 14.8 35.7 98 100 A T H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.889 111.5 56.7 -66.1 -26.7 40.8 11.7 37.7 99 101 A A H X S+ 0 0 26 -4,-2.3 4,-3.5 2,-0.2 -2,-0.2 0.960 108.4 45.5 -65.0 -48.0 38.3 12.8 40.4 100 102 A R H X S+ 0 0 95 -4,-3.0 4,-1.8 2,-0.2 5,-0.2 0.943 113.8 47.8 -62.7 -46.5 35.4 12.9 37.9 101 103 A L H >X S+ 0 0 4 -4,-2.4 4,-1.9 -5,-0.2 3,-0.7 0.968 116.1 45.3 -57.0 -53.6 36.3 9.6 36.4 102 104 A F H 3X S+ 0 0 18 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.906 108.2 57.4 -56.1 -40.5 36.7 8.1 39.9 103 105 A D H 3X S+ 0 0 78 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.814 106.1 49.3 -63.2 -27.4 33.4 9.7 41.0 104 106 A I H + 0 0 12 -2,-0.1 4,-1.7 64,-0.1 -1,-0.2 0.480 67.2 118.7 82.6 11.1 45.4 2.6 14.9 151 153 A G H > S+ 0 0 0 -3,-0.3 32,-1.2 2,-0.2 4,-0.5 0.745 75.5 51.2 -76.3 -24.5 44.7 -1.1 14.8 152 154 A G H >> S+ 0 0 1 30,-0.2 3,-1.0 2,-0.2 4,-0.5 0.970 112.5 43.2 -78.6 -47.6 42.6 -0.6 11.6 153 155 A L H >> S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.823 107.4 62.4 -63.0 -32.0 45.2 1.3 9.7 154 156 A A H 3< S+ 0 0 3 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 95.2 59.8 -69.2 -22.5 47.9 -1.1 10.9 155 157 A S H << S+ 0 0 32 -3,-1.0 25,-0.3 -4,-0.5 -1,-0.3 0.757 108.4 47.6 -74.3 -19.1 46.2 -3.9 9.1 156 158 A R H << S+ 0 0 56 -3,-1.2 4,-0.5 -4,-0.5 3,-0.2 0.627 95.3 69.3 -95.0 -16.0 46.7 -1.9 5.9 157 159 A T S X S+ 0 0 3 -4,-0.8 4,-1.9 1,-0.2 3,-0.3 0.681 78.8 72.4 -84.1 -21.0 50.4 -0.8 5.9 158 160 A P H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.911 95.3 55.5 -58.0 -43.1 52.3 -4.0 5.5 159 161 A A H > S+ 0 0 23 1,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.858 106.1 55.7 -57.1 -35.2 51.3 -4.1 1.8 160 162 A V H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.928 109.0 43.0 -65.2 -48.9 52.8 -0.6 1.6 161 163 A H H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.887 111.9 53.8 -67.6 -37.7 56.2 -1.7 2.9 162 164 A R H X S+ 0 0 78 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.949 108.7 52.4 -56.0 -43.9 56.2 -4.8 0.7 163 165 A H H X S+ 0 0 39 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.941 107.2 49.7 -56.9 -53.8 55.6 -2.5 -2.2 164 166 A V H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.928 113.9 45.5 -56.4 -43.6 58.5 -0.2 -1.4 165 167 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.7 0.918 110.1 55.0 -67.5 -36.3 60.9 -3.1 -1.1 166 168 A S H ><5S+ 0 0 58 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.917 99.7 60.3 -61.7 -38.7 59.5 -4.7 -4.4 167 169 A V H 3<5S+ 0 0 59 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.877 108.5 44.7 -56.7 -36.1 60.1 -1.5 -6.3 168 170 A L T <<5S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.225 118.7-113.3 -91.1 8.7 63.8 -2.0 -5.4 169 171 A S T < 5S+ 0 0 95 -3,-2.4 2,-1.0 1,-0.2 3,-0.2 0.825 72.8 138.6 63.4 30.5 63.7 -5.7 -6.2 170 172 A K >< + 0 0 65 -5,-2.5 4,-2.6 1,-0.2 -1,-0.2 -0.529 13.3 154.7-103.0 66.6 64.3 -6.7 -2.6 171 173 A T H > + 0 0 87 -2,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.715 67.4 58.4 -65.0 -24.6 61.7 -9.5 -2.8 172 174 A K H 4 S+ 0 0 133 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.982 111.6 38.6 -67.4 -61.8 63.4 -11.3 0.0 173 175 A E H >> S+ 0 0 38 2,-0.2 3,-2.5 1,-0.2 4,-0.8 0.909 113.2 56.4 -56.9 -47.7 63.1 -8.5 2.5 174 176 A A H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.935 104.5 56.4 -52.1 -42.4 59.6 -7.7 1.2 175 177 A G T 3< S+ 0 0 60 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.615 100.2 58.2 -65.4 -12.7 58.8 -11.3 2.0 176 178 A K T <4 S+ 0 0 113 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 0.586 74.4 110.5 -96.9 -9.9 59.8 -10.9 5.7 177 179 A I S << S- 0 0 7 -3,-1.3 2,-0.4 -4,-0.8 293,-0.1 -0.376 73.8-120.0 -60.4 140.4 57.4 -8.1 6.5 178 180 A L - 0 0 59 291,-0.5 2,-0.2 1,-0.0 -1,-0.1 -0.706 15.6-130.0 -87.6 137.3 54.8 -9.5 8.9 179 181 A S - 0 0 93 -2,-0.4 2,-0.3 -21,-0.1 -24,-0.1 -0.503 32.3-172.2 -77.1 148.8 51.1 -9.5 7.9 180 182 A N + 0 0 13 -25,-0.3 264,-0.1 -2,-0.2 -23,-0.1 -0.976 22.3 176.0-150.3 133.1 49.0 -8.0 10.7 181 183 A N >> + 0 0 71 262,-0.4 4,-1.0 -2,-0.3 3,-0.6 -0.471 16.1 153.9-139.7 68.1 45.3 -7.6 11.2 182 184 A P H 3> + 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.860 69.4 62.7 -66.7 -38.2 44.4 -6.2 14.5 183 185 A S H 3> S+ 0 0 3 -32,-1.2 4,-2.4 1,-0.2 5,-0.2 0.841 99.3 57.1 -60.1 -29.1 41.0 -4.6 13.7 184 186 A K H <> S+ 0 0 109 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.974 112.5 41.6 -60.7 -50.2 39.6 -8.1 12.9 185 187 A G H X S+ 0 0 7 -4,-1.0 4,-1.1 258,-0.3 -2,-0.2 0.900 113.4 51.1 -64.7 -43.9 40.6 -9.2 16.4 186 188 A L H >X S+ 0 0 3 -4,-3.1 4,-1.6 1,-0.2 3,-0.5 0.906 111.6 49.6 -60.5 -42.9 39.4 -6.0 18.1 187 189 A A H 3X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.840 103.6 59.1 -62.4 -37.1 36.1 -6.4 16.2 188 190 A L H 3X S+ 0 0 60 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.784 103.1 53.6 -63.2 -29.8 35.7 -10.0 17.4 189 191 A G H - 0 0 32 -5,-0.4 3,-2.6 1,-0.1 -1,-0.2 -0.891 45.7-154.0-109.0 104.2 19.7 -9.1 21.6 200 202 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.770 93.9 38.5 -44.5 -36.5 19.7 -9.9 17.9 201 203 A N T 3 S+ 0 0 148 29,-0.1 2,-0.2 2,-0.1 57,-0.2 0.164 87.4 115.9-106.1 18.9 18.7 -6.3 16.9 202 204 A A < - 0 0 3 -3,-2.6 29,-0.3 -8,-0.1 57,-0.2 -0.651 57.3-134.9 -86.8 148.3 20.8 -4.4 19.4 203 205 A L E -j 259 0D 16 55,-2.2 57,-2.8 -2,-0.2 58,-1.0 -0.510 10.5-118.6 -98.9 167.5 23.5 -2.1 18.0 204 206 A V E -jk 261 232D 1 27,-2.7 29,-2.1 56,-0.2 2,-0.6 -0.885 33.0-144.4 -96.3 133.5 27.1 -1.5 19.0 205 207 A L E -jk 262 233D 0 56,-3.7 58,-3.1 -2,-0.5 2,-0.6 -0.940 9.4-158.5-107.4 121.5 27.4 2.2 19.9 206 208 A L E -jk 263 234D 2 27,-3.0 29,-2.7 -2,-0.6 2,-0.9 -0.851 8.3-147.2 -99.9 120.6 30.6 3.9 18.9 207 209 A I E +jk 264 235D 0 56,-2.8 58,-2.7 -2,-0.6 59,-0.6 -0.799 36.5 147.2 -93.5 113.4 31.4 7.0 20.9 208 210 A A - 0 0 4 27,-1.7 58,-0.1 -2,-0.9 4,-0.1 -0.985 44.8-116.8-142.2 147.2 33.2 9.6 18.7 209 211 A Q - 0 0 72 -2,-0.3 26,-0.0 2,-0.2 63,-0.0 -0.396 29.9-117.1 -74.9 161.6 33.4 13.3 18.4 210 212 A E S S+ 0 0 135 1,-0.1 2,-1.1 -2,-0.1 -1,-0.1 0.921 108.2 63.7 -68.3 -45.9 32.3 15.0 15.1 211 213 A K S S+ 0 0 144 -173,-0.1 2,-0.3 1,-0.0 -173,-0.2 -0.715 71.3 146.7 -78.5 103.6 35.8 16.3 14.4 212 214 A E > - 0 0 30 -175,-2.4 3,-1.0 -2,-1.1 -180,-0.2 -0.828 28.8-179.0-143.4 102.4 37.6 13.0 14.0 213 215 A R T 3 S+ 0 0 88 -2,-0.3 -181,-2.5 1,-0.3 3,-0.4 0.830 83.8 62.0 -71.1 -27.8 40.5 12.8 11.5 214 216 A N T 3> + 0 0 9 1,-0.2 4,-1.2 -183,-0.2 3,-0.3 -0.027 62.9 123.5 -90.4 35.4 40.9 9.1 12.4 215 217 A I H <> + 0 0 6 -3,-1.0 4,-3.2 1,-0.2 3,-0.3 0.890 68.5 59.0 -61.5 -39.1 37.5 7.9 11.2 216 218 A F H > S+ 0 0 40 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.881 101.6 53.4 -59.1 -38.7 38.9 5.3 8.7 217 219 A D H > S+ 0 0 1 -3,-0.3 4,-0.6 -187,-0.2 -1,-0.2 0.924 113.3 44.4 -64.8 -36.5 40.7 3.5 11.5 218 220 A Q H >X S+ 0 0 1 -4,-1.2 4,-2.1 -3,-0.3 3,-1.5 0.938 108.4 57.6 -70.7 -44.9 37.3 3.3 13.4 219 221 A R H 3X S+ 0 0 104 -4,-3.2 4,-2.9 1,-0.3 5,-0.3 0.859 96.0 65.6 -54.8 -32.3 35.4 2.3 10.2 220 222 A A H 3X S+ 0 0 4 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.3 0.899 103.7 44.0 -59.0 -39.0 37.7 -0.6 9.9 221 223 A I H <>S+ 0 0 2 -4,-2.5 3,-2.7 1,-0.2 5,-1.9 0.971 109.6 52.8 -64.3 -49.8 31.3 -5.9 12.6 226 228 A L H ><5S+ 0 0 94 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.849 101.3 61.9 -53.4 -33.5 29.1 -5.3 9.6 227 229 A A T 3<5S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.611 106.3 45.4 -71.1 -11.9 30.5 -8.4 7.9 228 230 A R T < 5S- 0 0 100 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.060 124.6-106.0-114.5 17.6 29.1 -10.4 10.8 229 231 A N T < 5S+ 0 0 126 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.824 77.7 133.8 61.4 36.4 25.8 -8.5 10.6 230 232 A I < - 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0 0 57 -2,-0.5 4,-2.0 1,-0.0 5,-0.2 -0.370 57.5 -87.5 -94.6-178.7 31.5 19.5 29.3 275 277 A L H > S+ 0 0 126 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.899 131.7 47.4 -60.6 -40.6 29.2 19.2 32.3 276 278 A Q H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.813 106.4 56.3 -72.5 -31.9 26.6 17.4 30.1 277 279 A N H > S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.878 104.4 55.1 -66.1 -33.4 29.1 15.1 28.6 278 280 A W H X S+ 0 0 30 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 108.1 48.1 -63.5 -42.4 30.0 14.0 32.1 279 281 A E H X S+ 0 0 106 -4,-1.5 4,-3.7 1,-0.2 -2,-0.2 0.913 111.0 51.5 -63.7 -37.3 26.3 13.2 32.7 280 282 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.944 109.4 49.1 -68.8 -39.8 26.2 11.2 29.4 281 283 A R H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.935 113.2 46.9 -64.2 -40.1 29.2 9.2 30.4 282 284 A L H X S+ 0 0 36 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.973 110.5 54.5 -60.8 -47.3 27.6 8.5 33.8 283 285 A L H X S+ 0 0 35 -4,-3.7 4,-0.9 1,-0.2 -2,-0.2 0.892 110.9 44.3 -53.9 -44.5 24.4 7.6 32.0 284 286 A L H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.868 112.5 51.0 -68.3 -39.6 26.3 5.1 29.8 285 287 A E H < S+ 0 0 1 -4,-2.8 -171,-0.4 1,-0.2 -170,-0.3 0.855 106.6 55.6 -68.1 -28.6 28.2 3.6 32.7 286 288 A R H < S+ 0 0 64 -4,-2.8 -172,-0.2 -5,-0.2 -1,-0.2 0.759 95.5 94.4 -70.5 -21.3 24.9 3.1 34.6 287 289 A S S < S- 0 0 0 -4,-0.9 -172,-0.7 -3,-0.4 -173,-0.2 -0.022 82.9-117.7 -70.4 168.2 23.4 1.1 31.8 288 290 A H S S+ 0 0 53 -38,-2.9 -172,-0.6 -174,-0.2 -171,-0.3 0.505 79.3 106.9 -82.7 -5.4 23.2 -2.6 31.1 289 291 A A S S- 0 0 0 -39,-0.3 -28,-0.2 -5,-0.2 -174,-0.2 -0.488 82.1-103.6 -76.5 150.1 25.2 -2.5 27.9 290 292 A A E -l 261 0D 0 -30,-2.6 -28,-2.3 -97,-0.2 2,-0.4 -0.410 40.5-143.3 -65.3 142.1 28.8 -3.9 28.0 291 293 A K E -l 262 0D 1 -174,-0.4 -172,-0.9 -30,-0.2 3,-0.5 -0.951 6.4-127.8-115.8 140.5 31.2 -0.9 28.0 292 294 A C E S-l 263 0D 3 -30,-3.0 -28,-2.4 1,-0.5 -145,-0.2 -0.856 103.9 -0.5-124.1 98.0 34.5 -0.7 26.3 293 295 A P S S- 0 0 2 0, 0.0 -1,-0.5 0, 0.0 -173,-0.1 0.661 92.4-141.8 -80.8 162.7 36.4 0.1 28.6 294 296 A D >> - 0 0 9 -3,-0.5 4,-1.6 -175,-0.3 3,-0.7 -0.491 37.6 -96.0 -78.7 163.9 34.0 0.3 31.6 295 297 A I H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.827 124.8 51.9 -54.5 -33.8 35.0 3.3 33.9 296 298 A A H 3> S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 108.8 51.2 -70.8 -35.4 37.0 1.2 36.3 297 299 A T H <4 S+ 0 0 2 -3,-0.7 4,-0.3 2,-0.2 -1,-0.2 0.805 106.9 53.5 -72.7 -29.7 39.0 -0.3 33.4 298 300 A Q H >< S+ 0 0 10 -4,-1.6 3,-1.2 2,-0.2 -1,-0.2 0.901 108.9 49.6 -69.3 -39.2 39.7 3.2 32.2 299 301 A L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 6,-0.3 0.872 103.1 61.2 -68.1 -33.3 41.0 4.0 35.8 300 302 A A T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.663 97.3 60.6 -64.7 -17.3 43.1 0.9 35.5 301 303 A G T < S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-0.3 -158,-0.3 0.351 78.5 118.7 -91.3 6.0 44.8 2.5 32.6 302 304 A T S <> S- 0 0 12 -3,-2.0 4,-2.0 1,-0.1 5,-0.1 -0.319 71.9-126.4 -68.8 153.1 46.1 5.6 34.5 303 305 A K H > S+ 0 0 10 2,-0.2 4,-2.8 60,-0.2 5,-0.2 0.898 112.4 56.4 -65.4 -38.3 49.9 6.2 34.8 304 306 A K H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.972 106.7 47.7 -59.3 -50.6 49.5 6.3 38.6 305 307 A V H > S+ 0 0 0 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.944 111.5 52.4 -58.7 -41.2 47.9 2.8 38.6 306 308 A Q H < S+ 0 0 13 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.914 110.3 47.5 -57.4 -46.0 50.8 1.7 36.4 307 309 A Q H >< S+ 0 0 2 -4,-2.8 3,-2.4 1,-0.2 4,-0.5 0.990 110.2 52.1 -61.4 -49.9 53.3 3.1 38.9 308 310 A E H >< S+ 0 0 22 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.869 100.5 62.2 -54.5 -39.4 51.6 1.4 41.9 309 311 A L T 3< S+ 0 0 15 -4,-2.0 6,-0.3 -5,-0.3 -1,-0.3 0.596 93.3 64.8 -63.8 -12.6 51.6 -2.0 40.2 310 312 A S T < S+ 0 0 26 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.675 75.4 107.4 -88.0 -14.5 55.4 -2.0 40.2 311 313 A R S X S- 0 0 68 -3,-1.6 3,-2.7 -4,-0.5 4,-0.5 -0.343 87.5 -90.9 -62.1 135.0 55.8 -2.0 44.0 312 314 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.006 112.7 15.9 -47.7 140.9 57.0 -5.4 45.3 313 315 A G T 3> S+ 0 0 41 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 0.365 98.6 102.3 73.6 -13.7 54.1 -7.7 46.2 314 316 A M H <> S+ 0 0 32 -3,-2.7 4,-1.3 2,-0.2 5,-0.2 0.957 83.7 43.2 -70.0 -41.4 51.6 -5.6 44.2 315 317 A L H >> S+ 0 0 0 -4,-0.5 4,-2.3 -6,-0.3 3,-0.7 0.944 113.3 55.3 -63.7 -46.7 51.4 -7.9 41.2 316 318 A E H 34 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.883 106.8 48.7 -53.2 -45.3 51.2 -10.9 43.6 317 319 A M H 3< S+ 0 0 102 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.744 114.2 45.6 -70.2 -24.2 48.2 -9.5 45.4 318 320 A L H << S+ 0 0 13 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.850 126.2 27.9 -86.6 -32.7 46.3 -8.8 42.1 319 321 A L S >< S- 0 0 7 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 -0.686 87.7-166.3-127.1 69.7 47.0 -12.1 40.4 320 322 A P T 3 + 0 0 90 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.437 69.5 14.9 -66.9 136.2 47.5 -14.4 43.4 321 323 A G T 3 S+ 0 0 76 -5,-0.1 -5,-0.1 -2,-0.1 -4,-0.1 0.532 95.7 109.6 78.5 16.3 49.0 -17.8 42.7 322 324 A Q <> + 0 0 69 -3,-1.5 4,-2.3 -6,-0.2 5,-0.1 -0.642 30.1 157.0-126.2 76.3 50.3 -16.8 39.3 323 325 A P H > S+ 0 0 88 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.713 72.5 48.6 -70.4 -31.7 54.0 -16.6 39.5 324 326 A E H > S+ 0 0 148 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.907 114.7 47.3 -76.9 -42.0 55.1 -17.1 35.8 325 327 A A H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.973 111.9 52.3 -60.3 -47.6 52.5 -14.5 34.8 326 328 A V H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.882 110.9 46.8 -53.9 -43.4 53.8 -12.2 37.5 327 329 A A H X S+ 0 0 55 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.868 109.0 51.9 -68.1 -44.8 57.3 -12.7 36.3 328 330 A R H X S+ 0 0 102 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.931 115.2 44.4 -60.3 -42.3 56.6 -12.1 32.6 329 331 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 4,-0.3 0.922 112.0 50.2 -64.5 -48.6 54.8 -8.8 33.6 330 332 A R H >< S+ 0 0 80 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.880 99.0 66.6 -62.8 -37.5 57.5 -7.6 36.1 331 333 A A H 3< S+ 0 0 48 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.806 100.2 53.1 -56.1 -26.2 60.3 -8.1 33.5 332 334 A T T << S+ 0 0 0 -3,-1.0 -192,-3.6 -4,-0.6 2,-0.4 0.584 85.2 105.6 -87.0 -5.2 58.7 -5.3 31.5 333 335 A F < - 0 0 25 -3,-2.1 2,-0.1 -4,-0.3 -192,-0.1 -0.616 48.3-169.2 -82.7 131.7 58.6 -2.8 34.3 334 336 A A - 0 0 10 -194,-0.5 2,-0.2 -2,-0.4 64,-0.0 -0.321 51.5 -55.3 -98.1-172.2 61.1 0.1 34.2 335 337 A G - 0 0 17 -2,-0.1 62,-2.3 63,-0.0 2,-0.4 -0.438 59.0-179.1 -69.9 129.8 61.5 2.4 37.2 336 338 A L E -O 396 0F 16 -2,-0.2 2,-0.5 60,-0.2 60,-0.2 -0.996 5.9-163.8-134.2 127.1 58.3 4.0 38.3 337 339 A Y E -O 395 0F 82 58,-2.9 58,-2.4 -2,-0.4 -29,-0.1 -0.954 17.0-135.2-124.7 128.4 58.0 6.5 41.2 338 340 A S E -O 394 0F 5 -2,-0.5 10,-0.2 56,-0.2 56,-0.1 -0.372 9.3-163.0 -67.9 148.9 55.2 7.8 43.3 339 341 A L + 0 0 0 54,-0.7 -1,-0.1 52,-0.2 3,-0.1 0.113 43.3 135.3-117.1 21.3 55.4 11.5 43.8 340 342 A D S S- 0 0 38 1,-0.1 5,-0.4 51,-0.1 6,-0.2 -0.173 74.8 -76.7 -63.1 164.1 53.0 11.5 46.8 341 343 A V S S+ 0 0 91 47,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.423 97.2 71.7 -58.8 136.9 53.9 13.5 49.8 342 344 A G S > S- 0 0 32 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.744 96.5 -63.3 141.8 173.5 56.5 11.5 51.6 343 345 A E H > S+ 0 0 160 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.829 123.5 52.6 -64.5 -41.0 60.1 10.2 51.6 344 346 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.951 111.7 47.1 -61.6 -47.1 59.9 8.2 48.4 345 347 A G H > S+ 0 0 1 -5,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.899 111.3 51.7 -61.5 -44.7 58.4 11.1 46.4 346 348 A D H X S+ 0 0 81 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.870 110.9 48.8 -61.6 -39.3 61.1 13.4 47.8 347 349 A Q H X S+ 0 0 125 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.898 109.8 48.9 -66.4 -43.7 63.8 11.0 46.8 348 350 A A H X S+ 0 0 6 -4,-2.1 4,-2.8 -10,-0.2 5,-0.2 0.891 110.3 53.6 -61.3 -40.5 62.6 10.5 43.1 349 351 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.948 108.6 48.5 -62.4 -41.9 62.3 14.3 42.8 350 352 A A H X S+ 0 0 54 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.930 112.2 49.0 -65.9 -42.6 66.0 14.7 43.9 351 353 A E H X S+ 0 0 110 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.912 111.9 48.3 -62.1 -43.4 67.1 12.0 41.4 352 354 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.1 49.9 -64.8 -36.7 65.1 13.7 38.6 353 355 A L H < S+ 0 0 48 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.787 112.0 48.5 -70.4 -29.6 66.7 17.1 39.5 354 356 A A H < S+ 0 0 81 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.797 130.8 15.6 -81.0 -32.0 70.1 15.6 39.6 355 357 A A S >< S+ 0 0 20 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.2 -0.566 70.2 169.4-141.8 71.9 69.9 13.8 36.2 356 358 A P G > S+ 0 0 39 0, 0.0 3,-1.0 0, 0.0 18,-0.6 0.703 70.7 67.4 -65.0 -19.3 66.9 15.2 34.3 357 359 A S G 3 S+ 0 0 67 1,-0.2 -5,-0.1 16,-0.1 -2,-0.0 0.699 97.2 59.8 -75.7 -10.4 67.6 13.6 30.9 358 360 A R G < S+ 0 0 160 -3,-1.8 40,-3.2 -6,-0.2 2,-0.3 0.408 100.0 52.1 -96.5 5.0 66.8 10.2 32.6 359 361 A F E < -P 397 0F 21 -3,-1.0 15,-0.5 38,-0.3 2,-0.4 -0.914 59.3-147.9-136.3 162.1 63.2 10.6 33.8 360 362 A V E -P 396 0F 10 36,-2.6 36,-2.5 -2,-0.3 2,-0.5 -0.978 14.5-141.4-128.4 144.8 59.9 11.6 32.4 361 363 A L E -PQ 395 372F 0 11,-2.6 11,-3.2 -2,-0.4 34,-0.2 -0.933 23.0-165.9-110.0 121.6 57.1 13.4 34.5 362 364 A K E -P 394 0F 7 32,-2.7 32,-1.3 -2,-0.5 9,-0.1 -0.931 14.5-159.0-122.8 125.0 53.6 12.2 33.8 363 365 A P E -P 393 0F 15 0, 0.0 2,-2.2 0, 0.0 -60,-0.2 -0.189 49.4 -89.5 -78.9 169.9 50.1 13.6 34.6 364 366 A Q S S+ 0 0 6 28,-0.6 2,-0.2 -61,-0.1 29,-0.1 -0.447 88.2 120.2 -86.2 68.0 47.1 11.2 34.6 365 367 A R - 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