==== 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 HYDROLASE 28-MAR-07 2PB1 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN XOG1; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.M.CUTFIELD,J.F.CUTFIELD,G.J.DAVIES,P.A.SULLIVAN . 394 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 1 0 1 1 0 0 0 0 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 7 A A 0 0 73 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -6.5 30.9 13.1 68.8 2 8 A W - 0 0 50 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.984 360.0-142.1-154.7 145.3 32.2 16.1 70.7 3 9 A D > - 0 0 60 -2,-0.3 4,-3.2 1,-0.1 3,-0.1 -0.914 12.7-171.8-114.4 100.1 32.2 17.2 74.4 4 10 A Y T 4 S+ 0 0 21 -2,-0.7 278,-0.2 1,-0.2 -1,-0.1 0.661 85.2 53.1 -71.2 -16.5 31.7 21.0 74.4 5 11 A D T 4 S+ 0 0 118 -3,-0.1 -1,-0.2 276,-0.1 -2,-0.0 0.872 124.4 20.9 -77.0 -42.3 32.4 21.1 78.1 6 12 A N T 4 S+ 0 0 126 -3,-0.1 2,-0.2 2,-0.0 -2,-0.2 0.682 110.6 72.3-107.7 -18.9 35.7 19.3 78.1 7 13 A N < - 0 0 70 -4,-3.2 2,-0.5 345,-0.0 -5,-0.0 -0.641 63.3-143.8-101.4 153.4 37.1 19.5 74.6 8 14 A V - 0 0 35 -2,-0.2 2,-0.3 2,-0.0 345,-0.3 -0.978 18.5-128.1-115.1 130.8 38.6 22.6 72.8 9 15 A I E -a 353 0A 0 343,-2.6 345,-2.3 -2,-0.5 2,-0.4 -0.585 24.8-179.5 -76.9 130.1 38.0 23.2 69.1 10 16 A R E +a 354 0A 59 -2,-0.3 73,-2.6 343,-0.2 74,-0.9 -0.878 32.8 133.5-131.3 95.3 41.2 23.8 67.2 11 17 A G E -ab 355 84A 0 343,-2.2 345,-2.4 -2,-0.4 2,-0.3 -0.757 45.8-131.8-140.7 180.0 40.2 24.4 63.6 12 18 A V E -ab 356 85A 0 72,-1.4 74,-1.5 343,-0.3 2,-0.3 -0.978 25.7-119.0-137.5 150.9 40.3 26.1 60.3 13 19 A N E - b 0 86A 0 343,-2.8 346,-2.3 -2,-0.3 2,-0.7 -0.646 15.2-140.1 -84.1 145.2 37.7 27.4 57.9 14 20 A L > + 0 0 1 72,-2.6 3,-0.7 -2,-0.3 4,-0.4 -0.561 43.5 170.4-101.2 62.9 37.6 26.0 54.4 15 21 A G T 3 + 0 0 1 -2,-0.7 345,-0.2 1,-0.2 5,-0.1 -0.286 48.9 30.6 -74.6 158.1 36.9 29.4 52.9 16 22 A G T 3 S+ 0 0 3 3,-0.5 -1,-0.2 124,-0.1 5,-0.2 0.463 95.8 96.2 78.3 3.2 36.9 30.3 49.2 17 23 A W S < S+ 0 0 1 -3,-0.7 -2,-0.1 71,-0.1 3,-0.1 0.969 96.9 10.0 -90.2 -65.2 35.9 26.8 48.2 18 24 A F S S+ 0 0 2 70,-0.5 2,-0.4 -4,-0.4 72,-0.4 0.490 133.3 46.4 -97.3 -9.3 32.0 26.7 47.7 19 25 A V S S- 0 0 3 69,-0.1 -3,-0.5 70,-0.1 -1,-0.2 -0.973 89.1-130.7-131.5 118.1 31.5 30.5 47.9 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.464 21.4-172.3 -71.1 134.7 33.9 32.6 45.9 21 27 A E >> - 0 0 4 -2,-0.2 4,-1.9 -5,-0.2 3,-1.3 -0.978 19.7-144.1-127.2 118.3 35.7 35.5 47.6 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.845 99.0 51.8 -49.8 -40.8 37.8 37.9 45.4 23 29 A Y T 34 S+ 0 0 12 274,-0.4 340,-0.3 1,-0.2 275,-0.1 0.796 113.0 46.4 -70.0 -21.9 40.5 38.5 48.0 24 30 A M T <4 S+ 0 0 0 -3,-1.3 338,-2.2 1,-0.2 -1,-0.2 0.828 128.8 20.6 -89.1 -37.7 41.0 34.8 48.5 25 31 A T >< + 0 0 0 -4,-1.9 3,-1.7 336,-0.2 4,-0.4 -0.567 68.9 161.5-127.9 65.6 41.1 33.6 44.8 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-1.4 0.792 65.9 74.9 -61.1 -20.7 42.0 36.8 42.9 27 33 A S G 34 S+ 0 0 58 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.763 92.3 54.8 -61.7 -26.0 43.1 34.7 39.9 28 34 A L G <4 S+ 0 0 33 -3,-1.7 -1,-0.3 -6,-0.1 4,-0.0 0.686 117.5 34.0 -79.2 -16.6 39.4 34.0 39.1 29 35 A F T X4 S+ 0 0 0 -3,-1.4 3,-1.8 -4,-0.4 -2,-0.2 0.754 99.8 75.2-107.0 -33.4 38.5 37.8 39.0 30 36 A E G >< S+ 0 0 68 -4,-2.6 3,-2.3 1,-0.3 -3,-0.1 0.763 80.8 70.8 -56.6 -34.2 41.7 39.4 37.6 31 37 A P G 3 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.761 93.8 60.0 -54.8 -24.0 41.1 38.3 34.0 32 38 A F G < S+ 0 0 50 -3,-1.8 8,-0.2 10,-0.1 -2,-0.2 0.494 82.5 107.2 -81.1 -5.7 38.2 40.8 33.9 33 39 A Q < - 0 0 39 -3,-2.3 2,-0.6 -4,-0.2 5,-0.2 -0.454 62.2-146.5 -72.9 149.0 40.5 43.8 34.7 34 40 A N B > -I 37 0B 119 3,-2.6 3,-2.3 -2,-0.1 2,-0.5 -0.864 63.6 -65.1-118.5 90.0 41.3 46.2 31.9 35 41 A G T 3 S- 0 0 62 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.542 117.1 -19.2 61.8-114.9 44.8 47.2 32.6 36 42 A N T 3 S+ 0 0 165 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.413 115.0 107.3 -98.0 -1.3 44.6 49.1 35.8 37 43 A D B < +I 34 0B 83 -3,-2.3 -3,-2.6 1,-0.1 3,-0.2 -0.696 39.4 176.1 -86.3 121.7 40.8 49.6 35.5 38 44 A Q > + 0 0 46 -2,-0.5 3,-1.8 -5,-0.2 -1,-0.1 0.291 50.6 107.1-104.6 5.2 38.8 47.4 37.8 39 45 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -5,-0.1 -6,-0.1 0.761 81.6 45.2 -62.3 -26.9 35.5 48.9 36.9 40 46 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 -8,-0.2 -2,-0.1 0.279 82.0 114.8 -99.3 9.1 34.4 45.8 34.9 41 47 A V S < S- 0 0 7 -3,-1.8 -11,-0.1 1,-0.1 -12,-0.1 -0.702 75.5-114.3 -79.3 127.1 35.5 43.2 37.5 42 48 A P - 0 0 9 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.367 22.3-147.5 -60.5 139.6 32.5 41.2 38.8 43 49 A V + 0 0 35 258,-0.1 258,-0.4 101,-0.1 2,-0.3 0.594 67.6 6.4 -92.2 -12.8 32.1 42.1 42.5 44 50 A D S > S- 0 0 1 -23,-0.1 4,-2.6 256,-0.1 5,-0.2 -0.934 84.1 -87.2-156.6 175.1 30.7 38.8 43.8 45 51 A E H > S+ 0 0 1 94,-0.5 4,-2.7 -25,-0.4 5,-0.3 0.903 121.3 59.4 -61.6 -39.2 29.8 35.2 42.9 46 52 A Y H > S+ 0 0 48 96,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.935 113.8 35.1 -49.3 -54.5 26.4 36.3 41.7 47 53 A H H > S+ 0 0 67 95,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.823 114.1 58.0 -77.4 -31.8 27.8 38.7 39.1 48 54 A W H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.955 111.9 40.9 -60.8 -50.4 30.8 36.4 38.2 49 55 A T H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 8,-0.2 0.873 115.6 52.0 -66.7 -35.9 28.5 33.5 37.3 50 56 A Q H < S+ 0 0 106 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.905 111.1 46.6 -67.3 -42.8 26.1 35.9 35.5 51 57 A T H < S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.846 117.9 41.7 -68.9 -36.2 28.9 37.5 33.4 52 58 A L H < S- 0 0 47 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.792 105.8-134.0 -81.8 -29.7 30.4 34.1 32.4 53 59 A G X - 0 0 31 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.016 32.6 -69.7 83.9 162.0 27.1 32.3 31.8 54 60 A K H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.866 126.9 47.4 -59.6 -43.2 26.1 28.9 32.9 55 61 A E H > S+ 0 0 178 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 116.7 40.0 -69.4 -48.1 28.5 26.8 30.8 56 62 A A H > S+ 0 0 22 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.889 115.2 54.3 -66.5 -40.6 31.7 28.7 31.4 57 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -8,-0.2 5,-0.2 0.929 110.7 45.1 -59.8 -46.6 30.9 29.2 35.1 58 64 A L H X S+ 0 0 70 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.890 112.5 50.9 -68.4 -38.0 30.4 25.4 35.6 59 65 A R H X S+ 0 0 169 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.939 115.7 41.6 -61.6 -47.1 33.6 24.5 33.7 60 66 A I H X S+ 0 0 41 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.901 116.4 48.3 -69.5 -41.6 35.7 26.9 35.7 61 67 A L H X S+ 0 0 0 -4,-2.5 4,-3.5 -5,-0.3 5,-0.3 0.858 105.5 57.5 -71.5 -34.5 34.1 26.1 39.1 62 68 A Q H X S+ 0 0 59 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.928 108.7 46.8 -61.5 -41.3 34.4 22.3 38.6 63 69 A K H X S+ 0 0 153 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.2 0.908 115.0 47.3 -63.3 -44.0 38.1 22.7 38.2 64 70 A H H >X S+ 0 0 16 -4,-1.8 4,-3.0 2,-0.2 3,-1.0 0.957 112.5 47.8 -61.1 -52.1 38.2 25.0 41.3 65 71 A W H 3< S+ 0 0 1 -4,-3.5 4,-0.5 1,-0.2 -1,-0.2 0.836 112.9 49.8 -59.9 -35.4 36.0 22.7 43.5 66 72 A S H 3< S+ 0 0 54 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.611 124.3 25.7 -81.1 -13.5 38.1 19.7 42.5 67 73 A T H << S+ 0 0 87 -3,-1.0 -2,-0.2 -4,-0.8 3,-0.2 0.637 101.7 74.2-122.3 -23.8 41.6 21.3 43.2 68 74 A W S < S+ 0 0 18 -4,-3.0 2,-0.4 1,-0.3 -3,-0.1 0.922 115.2 11.0 -64.8 -46.8 41.2 24.0 45.8 69 75 A I S S+ 0 0 3 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 -0.998 78.8 164.9-129.2 134.2 40.7 21.5 48.7 70 76 A T >> - 0 0 40 -2,-0.4 4,-1.1 -3,-0.2 3,-0.7 -0.773 56.3 -82.8-134.8-178.0 41.4 17.8 48.4 71 77 A E H 3> S+ 0 0 71 -2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.835 123.7 64.4 -57.5 -32.2 41.8 14.8 50.6 72 78 A Q H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 97.3 55.2 -61.0 -38.9 45.5 15.8 51.0 73 79 A D H <> S+ 0 0 13 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.873 105.1 52.9 -58.9 -44.0 44.5 19.0 52.8 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.856 108.7 49.5 -61.5 -38.6 42.5 17.1 55.4 75 81 A K H X S+ 0 0 75 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.912 112.2 48.3 -64.5 -42.9 45.6 14.9 56.1 76 82 A Q H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.890 109.5 53.3 -65.5 -39.1 47.8 18.0 56.5 77 83 A I H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 -1,-0.2 0.944 112.1 44.1 -60.2 -48.2 45.1 19.6 58.8 78 84 A S H ><5S+ 0 0 42 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.906 110.8 55.2 -62.8 -44.0 45.2 16.5 61.0 79 85 A N H 3<5S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 101.9 57.9 -58.8 -33.0 49.0 16.3 60.9 80 86 A L T 3<5S- 0 0 22 -4,-1.8 302,-0.4 -3,-0.2 -1,-0.3 0.461 123.5-103.4 -78.2 0.6 49.2 19.9 62.2 81 87 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.629 73.8 141.8 86.6 16.3 47.2 19.0 65.3 82 88 A L < - 0 0 7 -5,-1.9 -1,-0.3 1,-0.1 -71,-0.2 -0.626 30.7-172.7 -86.6 150.2 43.9 20.5 64.2 83 89 A N + 0 0 40 -73,-2.6 40,-2.4 -2,-0.2 2,-0.3 0.326 59.5 43.8-121.4 5.8 40.6 18.6 65.1 84 90 A F E -bc 11 123A 0 -74,-0.9 -72,-1.4 38,-0.3 2,-0.3 -0.999 49.0-164.3-159.5 143.0 38.0 20.6 63.3 85 91 A V E -bc 12 124A 0 38,-2.3 40,-1.8 -2,-0.3 2,-0.5 -0.992 12.8-148.4-131.2 146.0 36.9 22.4 60.1 86 92 A R E -bc 13 125A 0 -74,-1.5 -72,-2.6 -2,-0.3 40,-0.2 -0.956 17.2-156.2-103.6 129.1 34.1 24.8 59.4 87 93 A I E - c 0 126A 0 38,-2.9 40,-2.4 -2,-0.5 2,-0.2 -0.886 1.5-154.0-116.6 102.0 32.6 24.5 55.8 88 94 A P E + c 0 127A 4 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.553 20.8 170.2 -68.4 137.7 30.9 27.6 54.3 89 95 A I E - c 0 128A 0 38,-2.3 40,-2.7 -2,-0.2 41,-0.7 -0.992 25.9-126.4-147.1 145.5 28.3 26.8 51.6 90 96 A G E > - c 0 130A 1 -72,-0.4 3,-1.5 -2,-0.3 4,-0.2 -0.564 24.5-114.4 -91.6 163.8 25.7 29.0 49.9 91 97 A Y G >> S+ 0 0 7 39,-1.7 3,-2.3 1,-0.3 4,-2.1 0.835 109.8 71.2 -61.4 -32.6 22.0 28.5 49.6 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.632 81.2 71.7 -65.9 -15.9 22.4 28.1 45.8 93 99 A A G <4 S+ 0 0 7 -3,-1.5 14,-0.3 1,-0.1 12,-0.3 0.735 115.8 23.5 -64.1 -23.3 24.1 24.7 46.3 94 100 A F T <4 S+ 0 0 38 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.724 132.9 13.7-111.9 -39.1 20.6 23.4 47.3 95 101 A Q < - 0 0 56 -4,-2.1 2,-0.4 2,-0.0 -1,-0.3 -0.990 59.3-149.8-148.7 134.1 18.0 25.7 45.7 96 102 A L - 0 0 61 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.838 16.8-131.4-104.0 141.0 17.9 28.4 43.1 97 103 A L > - 0 0 54 -2,-0.4 3,-2.0 1,-0.1 2,-0.1 -0.488 49.7 -81.7 -72.5 162.1 15.6 31.4 42.9 98 104 A D T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.440 121.5 13.9 -63.7 134.4 14.0 31.9 39.5 99 105 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.602 87.3 152.1 73.5 8.0 16.6 33.8 37.4 100 106 A D < - 0 0 13 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.533 39.0-149.7 -66.3 137.4 19.5 33.1 39.8 101 107 A P + 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.580 58.2 116.2 -83.3 -13.8 22.8 33.0 37.7 102 108 A Y - 0 0 2 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.168 55.7-141.4 -60.2 152.1 24.4 30.5 40.1 103 109 A V - 0 0 9 -46,-0.1 2,-0.2 -7,-0.0 3,-0.2 -0.781 13.8-138.4-109.6 155.6 25.5 27.0 39.1 104 110 A Q + 0 0 84 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.538 58.2 99.4-108.7 174.3 25.2 23.8 41.3 105 111 A G > + 0 0 24 -12,-0.3 4,-0.6 -2,-0.2 3,-0.4 0.310 50.1 110.5 130.5 -8.1 27.4 20.9 42.0 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.819 67.4 69.6 -66.2 -32.8 29.0 21.8 45.3 107 113 A V H 3> S+ 0 0 27 -14,-0.3 4,-2.6 1,-0.3 5,-0.2 0.880 91.4 58.0 -60.7 -40.8 27.1 19.1 47.2 108 114 A Q H 3> S+ 0 0 97 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.899 112.3 41.7 -53.6 -40.8 29.0 16.3 45.6 109 115 A Y H S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-0.5 0.942 109.7 49.0 -59.0 -52.0 36.9 14.3 57.6 118 124 A R H ><5S+ 0 0 100 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.936 110.4 51.0 -53.5 -50.6 35.7 10.9 58.9 119 125 A K H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 115.8 41.6 -59.2 -29.9 38.9 9.2 57.7 120 126 A N T 3<5S- 0 0 19 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.223 111.4-112.6-108.6 14.2 41.2 11.8 59.4 121 127 A N T < 5 + 0 0 121 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.885 67.9 144.3 59.4 40.7 39.3 12.2 62.7 122 128 A I < - 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0 0 17 -3,-1.8 -3,-0.2 1,-0.1 -1,-0.2 -0.529 42.9-114.5 -80.1 148.1 40.5 56.5 57.0 315 321 A P - 0 0 83 0, 0.0 -6,-0.6 0, 0.0 2,-0.2 -0.532 38.8 -93.1 -74.6 153.3 43.8 58.4 57.6 316 322 A Y B +J 308 0C 142 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.479 48.1 165.3 -61.7 128.9 47.0 56.9 56.1 317 323 A I - 0 0 59 -10,-2.9 2,-0.3 1,-0.4 -9,-0.2 0.721 61.9 -27.4-109.1 -51.0 48.8 54.7 58.6 318 324 A G - 0 0 12 -11,-1.9 -1,-0.4 0, 0.0 2,-0.3 -0.981 68.5 -83.1-159.8 166.5 51.3 52.9 56.4 319 325 A S - 0 0 56 -2,-0.3 4,-0.2 1,-0.1 -25,-0.1 -0.589 26.7-156.7 -78.6 135.4 52.0 51.6 52.9 320 326 A b S >> S+ 0 0 6 -2,-0.3 3,-2.1 1,-0.1 4,-0.7 0.801 79.5 78.8 -78.0 -33.5 50.5 48.2 52.0 321 327 A Q G >4 S+ 0 0 132 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.881 93.6 48.1 -48.5 -50.0 52.9 47.3 49.2 322 328 A P G 34 S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.659 111.2 53.0 -62.0 -20.3 55.7 46.2 51.6 323 329 A L G <4 S+ 0 0 22 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.411 86.1 81.6 -97.5 -0.7 53.2 44.1 53.7 324 330 A L S << S+ 0 0 87 -3,-1.4 2,-0.5 -4,-0.7 -1,-0.2 0.754 90.7 52.9 -77.5 -24.4 51.8 42.1 50.7 325 331 A D S > S- 0 0 68 -4,-0.4 3,-2.6 -3,-0.2 4,-0.3 -0.951 71.7-150.8-119.4 117.5 54.7 39.6 50.7 326 332 A I G > S+ 0 0 14 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.797 97.3 62.9 -60.7 -27.7 55.6 37.8 54.0 327 333 A S G 3 S+ 0 0 87 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.697 102.1 52.4 -68.5 -17.2 59.2 37.6 52.9 328 334 A Q G < S+ 0 0 109 -3,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 0.415 83.8 119.4 -94.8 -0.9 59.4 41.4 52.9 329 335 A W < - 0 0 10 -3,-1.3 -6,-0.1 -4,-0.3 -3,-0.0 -0.442 65.9-117.1 -69.4 140.6 58.0 41.8 56.4 330 336 A S > - 0 0 62 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.291 23.8-112.2 -65.0 154.3 60.2 43.5 59.0 331 337 A D H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 120.5 54.3 -49.5 -41.8 61.4 41.7 62.1 332 338 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 107.2 48.6 -65.2 -41.8 59.1 43.9 64.1 333 339 A H H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 110.9 50.9 -66.9 -37.2 56.0 43.0 62.0 334 340 A K H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.914 112.2 46.9 -62.6 -44.9 56.7 39.3 62.3 335 341 A T H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.942 110.8 51.0 -63.6 -45.7 57.1 39.6 66.1 336 342 A D H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.890 110.5 51.0 -57.9 -43.3 53.8 41.7 66.4 337 343 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.927 109.7 48.2 -61.1 -47.1 52.0 39.0 64.4 338 344 A R H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 112.7 49.0 -62.1 -44.7 53.2 36.1 66.5 339 345 A R H X S+ 0 0 48 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.909 112.0 49.4 -56.9 -44.6 52.3 38.0 69.8 340 346 A Y H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.890 111.0 48.4 -67.3 -44.4 48.8 38.7 68.3 341 347 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.936 112.6 48.2 -59.6 -47.7 48.2 35.1 67.3 342 348 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.899 110.3 51.0 -63.9 -40.4 49.2 33.7 70.7 343 349 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 112.3 47.6 -61.2 -45.2 47.1 36.2 72.6 344 350 A Q H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.928 109.9 51.9 -61.6 -47.8 44.1 35.3 70.5 345 351 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.922 111.5 46.8 -54.3 -46.4 44.7 31.5 70.9 346 352 A D H X S+ 0 0 35 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.934 113.4 49.4 -63.8 -43.2 44.8 31.9 74.7 347 353 A A H < S+ 0 0 1 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.905 115.2 43.0 -61.3 -42.6 41.7 34.0 74.7 348 354 A F H ><>S+ 0 0 6 -4,-2.7 5,-2.1 1,-0.2 3,-1.2 0.852 109.8 54.5 -77.8 -33.6 39.7 31.6 72.5 349 355 A E H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.661 91.6 76.2 -70.4 -15.1 40.9 28.4 74.3 350 356 A Y T 3<5S+ 0 0 41 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.745 114.1 14.6 -68.6 -22.7 39.6 30.0 77.5 351 357 A T T < 5S- 0 0 33 -3,-1.2 -68,-0.1 -4,-0.3 3,-0.1 0.046 132.9 -31.6-118.1-123.8 36.2 29.0 76.3 352 358 A G T 5S- 0 0 10 -70,-1.6 -343,-2.6 1,-0.2 2,-0.3 0.593 90.0-106.6 -82.0 -7.5 35.2 26.6 73.4 353 359 A G E < -a 9 0A 0 -5,-2.1 -69,-2.3 -345,-0.3 2,-0.3 -0.761 35.6 -78.2 113.1-164.1 38.1 27.1 71.1 354 360 A W E -ah 10 284A 0 -345,-2.3 -343,-2.2 -2,-0.3 2,-0.4 -0.948 12.1-156.8-148.6 154.4 38.8 28.7 67.7 355 361 A V E -a 11 0A 0 -71,-2.3 -68,-0.4 -2,-0.3 -343,-0.3 -0.892 26.0-143.5-141.1 100.7 38.5 28.4 64.0 356 362 A F E -a 12 0A 0 -345,-2.4 -343,-2.8 -2,-0.4 2,-0.6 -0.399 23.0-107.2 -71.9 140.6 41.0 30.4 62.0 357 363 A W S S+ 0 0 1 -70,-3.2 -68,-0.2 1,-0.2 -343,-0.1 -0.930 86.4 8.1-106.4 108.7 40.0 32.2 58.7 358 364 A S - 0 0 1 -2,-0.6 11,-2.8 -345,-0.4 12,-0.2 0.660 41.2-157.0-140.7 178.2 41.2 30.6 56.5 359 365 A W S S- 0 0 1 -346,-2.3 11,-2.0 9,-0.2 2,-0.3 0.939 91.0 -3.5 -56.1 -46.9 43.1 27.3 55.7 360 366 A K - 0 0 39 -345,-0.2 2,-0.3 -347,-0.2 -1,-0.2 -0.982 52.8-176.7-149.6 153.9 44.5 28.9 52.5 361 367 A T - 0 0 12 -2,-0.3 -336,-0.2 -3,-0.1 -337,-0.1 -0.917 37.9-116.3-136.4 163.3 44.5 31.9 50.2 362 368 A E S S- 0 0 76 -338,-2.2 -337,-0.1 -2,-0.3 -338,-0.1 0.934 99.9 -20.1 -63.4 -48.3 46.3 32.4 46.8 363 369 A N S S+ 0 0 104 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.093 102.2 107.4-157.7 30.9 48.5 35.2 48.1 364 370 A A > - 0 0 5 -340,-0.2 3,-1.3 1,-0.1 7,-0.1 -0.857 41.3-175.4-116.8 93.6 47.1 36.9 51.2 365 371 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.782 76.8 62.0 -64.8 -30.5 49.4 35.7 54.1 366 372 A E G 3 S+ 0 0 5 1,-0.2 -77,-1.6 5,-0.1 -76,-0.5 0.705 110.9 42.9 -65.0 -19.5 47.6 37.3 57.0 367 373 A W G < S+ 0 0 3 -3,-1.3 2,-0.5 -79,-0.2 -1,-0.2 0.132 96.2 90.0-115.4 14.6 44.6 35.1 56.1 368 374 A S <> - 0 0 0 -3,-1.3 4,-2.3 1,-0.1 5,-0.2 -0.932 50.3-167.2-123.3 109.8 46.4 31.8 55.4 369 375 A F H > S+ 0 0 0 -11,-2.8 4,-2.4 -2,-0.5 5,-0.2 0.895 94.1 53.1 -55.2 -43.3 46.9 29.2 58.2 370 376 A Q H > S+ 0 0 33 -11,-2.0 4,-2.7 -12,-0.2 5,-0.2 0.951 109.9 45.2 -55.3 -54.3 49.4 27.4 55.8 371 377 A T H > S+ 0 0 41 1,-0.2 4,-1.6 -12,-0.2 6,-0.2 0.913 114.9 47.9 -62.6 -44.3 51.5 30.4 55.0 372 378 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 -7,-0.3 6,-1.3 0.895 113.6 47.0 -63.4 -41.7 51.7 31.5 58.6 373 379 A T H ><5S+ 0 0 14 -4,-2.4 3,-1.9 4,-0.2 -2,-0.2 0.954 111.2 50.9 -65.8 -47.5 52.6 28.0 59.9 374 380 A Y H 3<5S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 110.8 49.8 -64.2 -26.1 55.3 27.5 57.2 375 381 A N T 3<5S- 0 0 81 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.271 116.9-111.5 -95.7 10.1 56.9 30.8 58.1 376 382 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.594 89.2 110.1 77.5 12.5 57.0 30.1 61.8 377 383 A L < + 0 0 13 -5,-2.5 -4,-0.2 -6,-0.2 -36,-0.2 0.747 67.0 59.5 -94.0 -27.4 54.4 32.8 62.8 378 384 A F S S- 0 0 1 -6,-1.3 -2,-0.2 -9,-0.1 -1,-0.1 -0.926 103.0-104.1 -98.3 126.2 51.5 30.4 63.8 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.171 32.8-141.7 -50.2 134.6 52.6 28.2 66.7 380 386 A Q S S+ 0 0 79 1,-0.2 2,-0.2 -4,-0.1 -299,-0.1 -0.932 98.9 34.6-142.1 115.0 53.4 24.6 65.7 381 387 A P S > S- 0 0 79 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.646 105.4-128.8 -57.9 158.9 52.5 22.6 67.7 382 388 A V T 3 S+ 0 0 6 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.622 104.9 62.1 -68.4 -11.1 49.6 25.0 68.3 383 389 A T T 3 S+ 0 0 79 2,-0.0 -1,-0.3 -38,-0.0 2,-0.1 0.531 77.6 113.1 -85.1 -8.2 50.3 24.9 72.1 384 390 A D < - 0 0 74 -3,-2.2 2,-0.4 4,-0.0 0, 0.0 -0.346 49.4-164.4 -66.8 138.3 53.8 26.4 71.7 385 391 A R + 0 0 51 1,-0.1 -46,-0.1 -2,-0.1 -2,-0.0 -0.979 29.6 172.8-133.6 122.4 54.3 29.9 73.1 386 392 A Q S S+ 0 0 111 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.596 95.9 37.9 -84.4 -20.0 57.1 32.4 72.5 387 393 A F S > S- 0 0 56 -49,-0.1 3,-0.6 -48,-0.1 -1,-0.2 -0.702 90.4-165.1-131.5 70.5 55.0 35.0 74.5 388 394 A P T 3 + 0 0 92 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.338 59.4 2.2 -68.1 145.3 53.5 33.0 77.3 389 395 A N T 3 + 0 0 117 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.857 65.8 157.3 57.1 48.7 50.7 34.3 79.4 390 396 A Q S < S+ 0 0 52 -3,-0.6 -1,-0.1 1,-0.2 -121,-0.1 0.783 76.9 39.9 -69.6 -26.7 50.0 37.6 77.8 391 397 A a S S- 0 0 18 -122,-0.1 -1,-0.2 -48,-0.1 -2,-0.0 0.702 93.0-136.7-100.0 -23.4 46.5 37.7 79.2 392 398 A G - 0 0 34 1,-0.2 2,-0.1 2,-0.0 -2,-0.0 0.890 32.6-178.3 68.6 40.6 46.8 36.3 82.8 393 399 A F 0 0 43 1,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.419 360.0 360.0 -69.0 145.9 43.7 34.1 82.6 394 400 A H 0 0 190 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.411 360.0 360.0-136.9 360.0 42.8 32.1 85.7