==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-00 1EQC . COMPND 2 MOLECULE: EXO-(B)-(1,3)-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.M.CUTFIELD,G.J.DAVIES,G.MURSHUDOV,B.F.ANDERSON,P.C.E.MOODY . 394 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 64.7 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 . 17 4.3 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 72 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -4.7 30.7 13.0 68.7 2 8 A W - 0 0 50 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.990 360.0-142.2-154.0 143.7 32.0 15.9 70.7 3 9 A D > - 0 0 60 -2,-0.3 4,-3.1 1,-0.1 3,-0.2 -0.880 14.1-174.0-110.9 100.1 32.1 17.0 74.4 4 10 A Y T 4 S+ 0 0 19 -2,-0.7 -1,-0.1 1,-0.2 278,-0.1 0.735 83.9 55.1 -67.7 -21.1 31.6 20.8 74.4 5 11 A D T 4 S+ 0 0 119 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.906 124.4 17.7 -74.4 -41.5 32.2 20.9 78.1 6 12 A N T 4 S+ 0 0 126 -3,-0.2 2,-0.2 2,-0.0 -2,-0.2 0.676 109.6 73.0-109.4 -18.4 35.5 19.1 78.1 7 13 A N < - 0 0 69 -4,-3.1 2,-0.5 346,-0.0 -5,-0.0 -0.641 65.2-139.8-100.4 157.7 37.1 19.2 74.6 8 14 A V - 0 0 37 -2,-0.2 2,-0.3 2,-0.0 345,-0.2 -0.975 17.2-129.0-116.4 128.5 38.6 22.3 72.9 9 15 A I E -a 353 0A 0 343,-2.5 345,-2.3 -2,-0.5 2,-0.4 -0.583 24.6-179.0 -74.7 130.3 37.9 22.9 69.2 10 16 A R E +a 354 0A 59 -2,-0.3 73,-2.7 343,-0.2 74,-1.0 -0.873 32.4 136.3-130.7 95.2 41.2 23.5 67.3 11 17 A G E -ab 355 84A 0 343,-2.4 345,-2.4 -2,-0.4 2,-0.3 -0.714 45.9-133.6-139.5-179.2 40.1 24.1 63.7 12 18 A V E -ab 356 85A 0 72,-1.4 74,-1.8 343,-0.3 2,-0.3 -0.978 25.9-120.7-138.2 149.0 40.2 25.9 60.4 13 19 A N E - b 0 86A 0 343,-2.6 346,-2.4 -2,-0.3 2,-0.6 -0.693 14.7-140.4 -85.3 147.2 37.5 27.2 58.1 14 20 A L > + 0 0 1 72,-2.5 3,-0.8 -2,-0.3 4,-0.4 -0.523 43.1 168.6-103.4 62.6 37.5 25.8 54.5 15 21 A G T 3 + 0 0 1 -2,-0.6 345,-0.2 1,-0.2 5,-0.1 -0.290 49.6 33.2 -76.2 162.7 36.7 29.1 53.0 16 22 A G T 3 S+ 0 0 2 3,-0.4 -1,-0.2 124,-0.1 5,-0.2 0.438 95.7 94.9 77.2 3.4 36.7 30.0 49.3 17 23 A W S < S+ 0 0 0 -3,-0.8 -2,-0.1 71,-0.1 51,-0.1 0.975 97.7 10.4 -91.9 -60.9 35.7 26.5 48.3 18 24 A F S S+ 0 0 3 70,-0.5 2,-0.4 -4,-0.4 72,-0.4 0.456 132.9 46.9 -98.3 -9.6 31.9 26.5 47.8 19 25 A V S S- 0 0 2 69,-0.1 -3,-0.4 70,-0.1 2,-0.2 -0.974 89.2-130.2-130.5 117.0 31.4 30.2 48.0 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.534 22.3-172.0 -73.6 135.8 33.8 32.3 45.9 21 27 A E >> - 0 0 3 -2,-0.2 4,-2.0 -5,-0.2 3,-1.4 -0.982 19.4-145.1-127.2 117.4 35.6 35.2 47.6 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.841 98.6 52.1 -51.8 -38.7 37.6 37.5 45.4 23 29 A Y T 34 S+ 0 0 15 274,-0.4 340,-0.3 1,-0.2 275,-0.1 0.765 112.2 46.1 -72.4 -20.7 40.3 38.1 48.0 24 30 A M T <4 S+ 0 0 0 -3,-1.4 338,-2.3 1,-0.2 -1,-0.2 0.816 129.4 20.4 -89.9 -35.2 40.9 34.4 48.6 25 31 A T >< + 0 0 0 -4,-2.0 3,-1.5 336,-0.2 4,-0.4 -0.579 68.5 162.0-133.4 69.9 41.0 33.3 45.0 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.8 0, 0.0 3,-1.7 0.803 66.1 75.2 -61.2 -26.8 41.8 36.5 43.0 27 33 A S G 34 S+ 0 0 56 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.778 92.0 54.4 -58.9 -29.0 43.0 34.4 40.0 28 34 A L G <4 S+ 0 0 33 -3,-1.5 -1,-0.3 1,-0.1 4,-0.0 0.684 118.0 34.3 -77.0 -15.2 39.3 33.6 39.1 29 35 A F T X4 S+ 0 0 0 -3,-1.7 3,-1.7 -4,-0.4 -2,-0.2 0.735 100.1 76.6-108.4 -27.8 38.4 37.4 39.1 30 36 A E G >< S+ 0 0 72 -4,-2.8 3,-2.3 1,-0.3 -3,-0.1 0.782 80.2 69.3 -59.1 -31.8 41.6 39.0 37.7 31 37 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.732 93.0 61.9 -60.9 -21.4 41.0 37.9 34.0 32 38 A F G < S+ 0 0 49 -3,-1.7 2,-0.2 10,-0.1 8,-0.2 0.509 81.3 104.4 -80.7 -7.2 38.1 40.4 34.0 33 39 A Q < - 0 0 41 -3,-2.3 2,-0.7 -4,-0.2 5,-0.2 -0.576 64.2-145.6 -75.4 143.4 40.4 43.4 34.7 34 40 A N B > -I 37 0B 114 3,-2.3 3,-2.6 -2,-0.2 2,-0.4 -0.899 64.5 -60.6-109.2 98.9 41.2 45.7 31.7 35 41 A G T 3 S- 0 0 64 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.501 119.6 -20.7 62.1-118.3 44.8 46.8 32.3 36 42 A N T 3 S+ 0 0 166 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.387 113.7 110.4-100.1 0.5 44.5 48.6 35.7 37 43 A D B < +I 34 0B 79 -3,-2.6 -3,-2.3 1,-0.1 3,-0.3 -0.705 37.8 175.8 -82.8 118.9 40.8 49.2 35.4 38 44 A Q > + 0 0 48 -2,-0.6 3,-1.6 -5,-0.2 -1,-0.1 0.293 51.8 105.0-102.8 5.1 38.8 47.1 37.8 39 45 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.782 82.4 45.8 -61.5 -29.0 35.4 48.6 36.9 40 46 A G T 3 S+ 0 0 44 -3,-0.3 -1,-0.3 -8,-0.2 -2,-0.1 0.280 81.3 114.8 -97.5 10.2 34.4 45.5 34.9 41 47 A V S < S- 0 0 6 -3,-1.6 -11,-0.1 1,-0.1 -12,-0.1 -0.711 75.6-114.3 -81.0 126.4 35.4 42.8 37.5 42 48 A P - 0 0 9 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.389 22.6-146.5 -55.6 140.6 32.3 40.9 38.8 43 49 A V + 0 0 32 258,-0.1 258,-0.4 101,-0.1 2,-0.3 0.586 67.9 5.1 -93.7 -9.0 32.0 41.7 42.5 44 50 A D S > S- 0 0 0 -23,-0.1 4,-2.5 256,-0.1 5,-0.2 -0.938 84.8 -85.9-159.8 175.2 30.6 38.5 43.8 45 51 A E H > S+ 0 0 2 94,-0.5 4,-2.7 -25,-0.4 5,-0.3 0.859 121.3 59.3 -62.4 -36.8 29.6 34.9 42.8 46 52 A Y H > S+ 0 0 48 96,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.963 114.2 35.5 -54.0 -53.4 26.2 36.0 41.7 47 53 A H H > S+ 0 0 67 95,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.839 114.7 57.0 -73.1 -31.7 27.7 38.4 39.1 48 54 A W H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.949 112.3 41.0 -62.5 -50.0 30.7 36.1 38.3 49 55 A T H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 8,-0.2 0.884 115.2 52.1 -66.3 -36.0 28.3 33.2 37.3 50 56 A Q H < S+ 0 0 105 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.923 110.7 47.1 -66.5 -44.5 26.0 35.6 35.5 51 57 A T H < S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.1 44.1 -64.9 -38.1 28.8 37.2 33.4 52 58 A L H < S- 0 0 48 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.802 105.3-130.5 -80.1 -29.2 30.3 33.8 32.4 53 59 A G X - 0 0 32 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 -0.031 33.1 -74.5 91.8 157.8 27.0 32.0 31.6 54 60 A K H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 126.6 50.6 -59.7 -45.1 26.1 28.5 32.9 55 61 A E H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 115.2 39.0 -62.2 -51.2 28.4 26.5 30.7 56 62 A A H > S+ 0 0 20 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.903 115.0 54.4 -68.7 -37.8 31.6 28.4 31.4 57 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -8,-0.2 5,-0.2 0.923 110.1 46.3 -63.7 -42.3 30.8 28.8 35.1 58 64 A L H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.910 111.8 51.2 -67.7 -38.0 30.3 25.1 35.6 59 65 A R H X S+ 0 0 168 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.934 115.4 41.6 -63.0 -44.1 33.5 24.2 33.7 60 66 A I H X S+ 0 0 44 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 115.9 49.1 -72.0 -39.9 35.6 26.6 35.8 61 67 A L H X S+ 0 0 0 -4,-2.7 4,-3.8 -5,-0.3 5,-0.3 0.882 105.2 57.2 -68.5 -36.8 33.9 25.8 39.1 62 68 A Q H X S+ 0 0 62 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.947 109.2 46.7 -59.3 -42.0 34.3 22.0 38.6 63 69 A K H X S+ 0 0 156 -4,-1.3 4,-0.7 -5,-0.2 -1,-0.2 0.916 115.2 46.9 -64.1 -41.8 38.0 22.5 38.3 64 70 A H H >X S+ 0 0 16 -4,-1.8 4,-3.0 2,-0.2 3,-1.2 0.965 112.4 48.2 -65.4 -49.9 38.1 24.7 41.4 65 71 A W H 3< S+ 0 0 1 -4,-3.8 4,-0.5 1,-0.3 -1,-0.2 0.844 113.0 49.4 -60.3 -35.8 35.9 22.4 43.5 66 72 A S H 3< S+ 0 0 57 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.572 124.1 26.3 -82.5 -7.0 38.1 19.4 42.6 67 73 A T H << S+ 0 0 84 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.2 0.654 101.4 73.8-126.5 -21.7 41.5 21.1 43.3 68 74 A W S < S+ 0 0 18 -4,-3.0 2,-0.4 1,-0.2 -3,-0.1 0.919 115.4 11.1 -64.9 -46.3 41.1 23.8 45.9 69 75 A I S S+ 0 0 2 -4,-0.5 2,-0.2 -5,-0.3 -1,-0.2 -1.000 79.6 164.5-130.7 130.3 40.6 21.4 48.8 70 76 A T >> - 0 0 41 -2,-0.4 4,-1.1 -3,-0.1 3,-0.8 -0.768 55.8 -82.2-133.5-175.5 41.3 17.6 48.4 71 77 A E H 3> S+ 0 0 66 -2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.848 123.5 64.1 -58.6 -33.9 41.8 14.6 50.7 72 78 A Q H 3> S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 97.7 55.5 -59.1 -37.4 45.5 15.6 51.1 73 79 A D H <> S+ 0 0 13 -3,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.877 105.1 52.3 -62.4 -40.5 44.4 18.8 52.9 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.887 109.8 48.6 -64.3 -39.0 42.4 16.8 55.4 75 81 A K H X S+ 0 0 66 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 112.6 48.4 -65.8 -40.2 45.4 14.6 56.2 76 82 A Q H X S+ 0 0 66 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.900 109.1 53.2 -66.3 -41.0 47.6 17.8 56.6 77 83 A I H <>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 3,-0.4 0.944 112.4 44.8 -57.1 -48.1 45.0 19.4 58.9 78 84 A S H ><5S+ 0 0 42 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.932 109.7 55.0 -61.7 -43.6 45.0 16.3 61.1 79 85 A N H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 102.2 58.3 -60.0 -28.8 48.8 16.1 61.0 80 86 A L T 3<5S- 0 0 22 -4,-1.5 302,-0.4 -3,-0.4 -1,-0.3 0.424 123.3-103.5 -82.8 -0.6 49.0 19.7 62.3 81 87 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.616 74.8 139.8 91.0 13.3 47.1 18.8 65.4 82 88 A L < - 0 0 8 -5,-1.9 -1,-0.3 -6,-0.2 -71,-0.2 -0.579 31.1-172.7 -86.3 153.7 43.7 20.3 64.3 83 89 A N + 0 0 40 -73,-2.7 40,-2.3 -2,-0.2 2,-0.3 0.244 59.1 43.1-128.9 12.0 40.5 18.4 65.1 84 90 A F E -bc 11 123A 0 -74,-1.0 -72,-1.4 38,-0.3 2,-0.3 -0.999 49.5-163.2-162.3 147.7 37.8 20.3 63.3 85 91 A V E -bc 12 124A 0 38,-2.1 40,-1.9 -2,-0.3 2,-0.5 -0.987 13.3-147.2-133.0 147.6 36.8 22.2 60.1 86 92 A R E -bc 13 125A 0 -74,-1.8 -72,-2.5 -2,-0.3 40,-0.2 -0.959 18.5-156.2-108.8 128.9 33.9 24.6 59.5 87 93 A I E - c 0 126A 0 38,-2.7 40,-2.3 -2,-0.5 2,-0.2 -0.872 0.3-154.4-116.9 106.2 32.5 24.4 56.0 88 94 A P E + c 0 127A 5 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.520 20.1 169.8 -73.9 139.8 30.8 27.4 54.4 89 95 A I E - c 0 128A 0 38,-2.2 40,-2.7 -2,-0.2 41,-0.7 -0.992 26.3-126.6-147.2 145.7 28.2 26.6 51.7 90 96 A G E > - c 0 130A 1 -72,-0.4 3,-1.5 -2,-0.3 4,-0.3 -0.570 25.3-112.9 -94.0 165.6 25.6 28.9 50.0 91 97 A Y G >> S+ 0 0 7 39,-1.8 3,-2.1 1,-0.3 4,-2.1 0.804 109.9 71.4 -62.0 -30.3 21.9 28.3 49.7 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.642 80.9 71.9 -65.9 -15.9 22.2 27.9 45.9 93 99 A A G <4 S+ 0 0 7 -3,-1.5 14,-0.3 1,-0.1 12,-0.3 0.749 115.2 24.3 -66.1 -24.2 24.0 24.5 46.3 94 100 A F T <4 S+ 0 0 38 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.714 132.7 14.2-110.4 -33.1 20.5 23.2 47.4 95 101 A Q < - 0 0 52 -4,-2.1 2,-0.4 2,-0.0 -1,-0.3 -0.986 59.1-149.3-150.8 137.3 17.9 25.4 45.8 96 102 A L - 0 0 60 -2,-0.3 2,-0.2 -3,-0.1 3,-0.1 -0.835 16.8-132.6-107.8 142.0 17.9 28.1 43.1 97 103 A L > - 0 0 49 -2,-0.4 3,-2.1 1,-0.1 2,-0.1 -0.538 49.2 -81.8 -77.4 160.5 15.5 31.1 43.0 98 104 A D T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.411 121.6 14.1 -60.7 137.5 13.9 31.6 39.6 99 105 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.578 87.7 150.2 73.1 5.0 16.4 33.5 37.4 100 106 A D < - 0 0 15 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 -0.551 38.6-152.2 -67.4 140.6 19.4 32.8 39.8 101 107 A P + 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.564 55.8 117.0 -89.8 -12.4 22.6 32.6 37.7 102 108 A Y - 0 0 3 1,-0.1 2,-0.3 -45,-0.0 -56,-0.1 -0.159 56.1-139.0 -58.8 153.8 24.3 30.2 40.1 103 109 A V - 0 0 10 -46,-0.1 2,-0.2 -7,-0.0 3,-0.2 -0.808 14.0-141.1-110.6 155.2 25.4 26.7 39.2 104 110 A Q + 0 0 84 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.496 57.2 102.0-108.7 175.4 25.1 23.6 41.4 105 111 A G > + 0 0 25 -12,-0.3 4,-0.7 -2,-0.2 3,-0.5 0.253 50.6 111.0 130.5 -8.5 27.3 20.6 42.0 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.829 66.4 68.3 -66.5 -33.4 28.8 21.6 45.4 107 113 A V H 3> S+ 0 0 27 -14,-0.3 4,-2.8 1,-0.2 5,-0.2 0.874 92.2 59.3 -58.0 -38.6 26.9 18.9 47.3 108 114 A Q H 3> S+ 0 0 102 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.924 111.7 41.0 -56.6 -41.8 28.9 16.1 45.7 109 115 A Y H S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.3 0.936 109.8 49.4 -62.9 -45.9 36.7 14.2 57.7 118 124 A R H ><5S+ 0 0 98 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.949 110.0 50.6 -59.1 -47.9 35.6 10.8 59.0 119 125 A K H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 115.6 42.1 -61.8 -28.4 38.7 9.1 57.8 120 126 A N T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.250 112.6-113.3-105.1 12.6 41.0 11.6 59.4 121 127 A N T < 5 + 0 0 123 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.871 66.8 145.8 60.7 38.8 39.1 11.9 62.7 122 128 A I < - 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0 0 13 -3,-2.0 -3,-0.2 1,-0.1 -1,-0.2 -0.602 43.2-108.2 -90.6 151.5 40.3 56.2 57.2 315 321 A P - 0 0 80 0, 0.0 -6,-0.5 0, 0.0 -5,-0.1 -0.477 39.8 -94.7 -74.9 146.0 43.6 57.9 57.8 316 322 A Y B +J 308 0C 142 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.351 47.8 164.6 -58.6 130.8 46.9 56.6 56.3 317 323 A I - 0 0 59 -10,-2.6 2,-0.3 1,-0.4 -9,-0.2 0.682 61.9 -26.6-112.0 -55.4 48.7 54.3 58.8 318 324 A G - 0 0 12 -11,-1.9 -1,-0.4 0, 0.0 2,-0.2 -0.980 69.2 -85.8-156.4 165.2 51.2 52.5 56.6 319 325 A S - 0 0 55 -2,-0.3 4,-0.1 1,-0.1 -25,-0.1 -0.564 27.3-154.4 -76.8 139.1 51.8 51.3 53.0 320 326 A b S >> S+ 0 0 6 -2,-0.2 3,-2.5 1,-0.2 4,-0.7 0.802 79.9 79.5 -82.0 -30.8 50.3 47.9 52.2 321 327 A Q G >4 S+ 0 0 134 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.869 91.6 49.1 -45.1 -52.1 52.7 47.0 49.4 322 328 A P G 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.549 110.9 52.7 -66.0 -12.4 55.5 45.9 51.7 323 329 A L G <4 S+ 0 0 19 -3,-2.5 -2,-0.2 1,-0.1 6,-0.1 0.422 85.0 83.3-103.9 0.4 53.1 43.7 53.7 324 330 A L S << S+ 0 0 80 -3,-1.4 2,-0.5 -4,-0.7 -1,-0.1 0.785 90.3 53.1 -74.7 -26.0 51.6 41.8 50.8 325 331 A D S > S- 0 0 65 -4,-0.4 3,-2.7 1,-0.1 4,-0.4 -0.937 71.4-151.0-117.9 117.1 54.5 39.3 50.7 326 332 A I G > S+ 0 0 16 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.799 97.4 62.8 -56.1 -30.9 55.4 37.5 54.0 327 333 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.0 0.724 102.7 51.6 -66.9 -20.1 59.1 37.2 52.8 328 334 A Q G < S+ 0 0 114 -3,-2.7 -1,-0.3 -6,-0.0 -2,-0.2 0.445 83.3 119.7 -96.3 2.1 59.2 41.1 52.9 329 335 A W < - 0 0 10 -3,-1.3 -6,-0.1 -4,-0.4 -3,-0.0 -0.429 65.0-118.6 -70.2 140.8 57.9 41.4 56.4 330 336 A S > - 0 0 65 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.282 24.2-110.5 -70.0 160.5 60.1 43.2 59.0 331 337 A D H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 119.9 54.2 -57.5 -39.6 61.2 41.3 62.1 332 338 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 107.4 48.5 -65.1 -39.4 59.0 43.6 64.2 333 339 A H H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 111.4 51.1 -68.5 -35.5 55.9 42.7 62.1 334 340 A K H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.8 45.4 -63.4 -44.4 56.7 39.0 62.4 335 341 A T H X S+ 0 0 65 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.927 111.8 51.3 -66.1 -43.1 57.0 39.3 66.2 336 342 A D H X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.911 110.4 50.4 -59.9 -41.7 53.8 41.3 66.5 337 343 A T H X S+ 0 0 1 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.930 109.9 48.8 -64.4 -44.8 52.0 38.7 64.5 338 344 A R H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.933 111.9 49.4 -61.8 -43.9 53.2 35.8 66.6 339 345 A R H X S+ 0 0 47 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.926 111.9 49.5 -58.2 -40.6 52.3 37.7 69.8 340 346 A Y H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.912 110.7 49.0 -68.5 -42.0 48.8 38.4 68.4 341 347 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.948 111.9 48.7 -62.4 -48.3 48.2 34.8 67.4 342 348 A E H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.892 110.0 50.4 -62.7 -40.2 49.3 33.4 70.7 343 349 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.920 112.4 48.0 -62.9 -40.9 47.1 35.8 72.7 344 350 A Q H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.924 110.2 51.2 -63.4 -46.7 44.0 34.9 70.6 345 351 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.937 111.4 48.3 -57.1 -45.3 44.7 31.2 70.9 346 352 A D H X S+ 0 0 34 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.941 112.8 48.4 -61.0 -44.4 44.9 31.6 74.7 347 353 A A H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.885 114.8 43.7 -63.8 -39.0 41.7 33.6 74.9 348 354 A F H ><>S+ 0 0 5 -4,-2.7 5,-2.1 1,-0.2 3,-1.2 0.856 109.1 55.4 -79.5 -31.0 39.7 31.2 72.7 349 355 A E H 3<5S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 92.7 74.3 -69.1 -17.9 40.9 28.0 74.4 350 356 A Y T 3<5S+ 0 0 41 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.741 114.5 15.6 -63.7 -27.5 39.7 29.6 77.6 351 357 A T T < 5S- 0 0 33 -3,-1.2 -68,-0.1 -4,-0.3 3,-0.1 -0.086 132.8 -31.5-115.5-127.3 36.2 28.8 76.3 352 358 A G T 5S- 0 0 10 -70,-1.4 -343,-2.5 1,-0.2 2,-0.3 0.636 90.0-105.8 -75.3 -11.2 35.1 26.4 73.6 353 359 A G E < -a 9 0A 0 -5,-2.1 -69,-2.2 -345,-0.2 2,-0.3 -0.764 36.2 -83.9 119.3-165.0 38.1 26.7 71.2 354 360 A W E -ah 10 284A 0 -345,-2.3 -343,-2.4 -2,-0.3 2,-0.4 -0.952 11.3-153.9-152.0 155.0 38.7 28.4 67.9 355 361 A V E -a 11 0A 0 -71,-2.4 -68,-0.3 -2,-0.3 -343,-0.3 -0.910 26.0-140.5-136.0 106.9 38.4 28.1 64.1 356 362 A F E -a 12 0A 0 -345,-2.4 -343,-2.6 -2,-0.4 2,-0.7 -0.419 24.0-108.9 -72.7 135.7 41.0 30.1 62.0 357 363 A W S S+ 0 0 4 -70,-3.3 -68,-0.2 1,-0.2 -343,-0.1 -0.918 86.8 10.4-101.9 110.2 39.8 31.9 58.8 358 364 A S - 0 0 1 -2,-0.7 11,-2.7 -345,-0.3 12,-0.2 0.683 42.3-157.5-141.2-177.9 41.1 30.3 56.7 359 365 A W S S- 0 0 1 -346,-2.4 11,-2.0 9,-0.2 2,-0.3 0.932 89.9 -5.2 -59.2 -45.6 43.0 27.1 55.8 360 366 A K - 0 0 40 -347,-0.2 2,-0.3 -345,-0.2 -1,-0.2 -0.991 52.3-174.2-151.8 155.1 44.4 28.6 52.6 361 367 A T - 0 0 11 -2,-0.3 -336,-0.2 1,-0.1 -337,-0.1 -0.940 37.4-116.1-137.5 163.2 44.4 31.6 50.3 362 368 A E S S- 0 0 75 -338,-2.3 -337,-0.1 -2,-0.3 -1,-0.1 0.946 100.2 -20.7 -67.4 -44.5 46.1 32.1 46.9 363 369 A N S S+ 0 0 102 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.130 101.5 108.0-157.7 32.6 48.4 34.8 48.1 364 370 A A > - 0 0 6 -340,-0.2 3,-1.2 1,-0.1 7,-0.1 -0.883 41.8-172.6-117.6 100.6 47.1 36.6 51.3 365 371 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.762 77.7 60.9 -66.3 -31.2 49.4 35.5 54.1 366 372 A E G 3 S+ 0 0 5 1,-0.3 -77,-1.6 5,-0.1 -76,-0.5 0.686 110.6 43.4 -68.2 -19.3 47.5 37.0 57.0 367 373 A W G < S+ 0 0 3 -3,-1.2 2,-0.5 -79,-0.2 -1,-0.3 0.133 95.6 89.4-112.4 14.0 44.5 34.8 56.2 368 374 A S <> - 0 0 0 -3,-1.3 4,-2.3 1,-0.2 5,-0.3 -0.926 50.6-167.3-122.3 112.1 46.2 31.5 55.5 369 375 A F H > S+ 0 0 0 -11,-2.7 4,-2.4 -2,-0.5 5,-0.2 0.909 93.6 53.1 -59.4 -41.3 46.8 29.0 58.2 370 376 A Q H > S+ 0 0 33 -11,-2.0 4,-2.7 -12,-0.2 -1,-0.2 0.948 110.1 45.6 -58.5 -52.3 49.2 27.0 55.9 371 377 A T H > S+ 0 0 41 -12,-0.2 4,-1.7 1,-0.2 6,-0.2 0.917 114.5 47.3 -60.1 -45.8 51.3 30.0 55.0 372 378 A L H <>S+ 0 0 0 -4,-2.3 5,-2.4 -7,-0.3 6,-1.4 0.895 113.7 48.2 -63.7 -39.7 51.6 31.2 58.6 373 379 A T H ><5S+ 0 0 14 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.938 110.7 50.3 -67.3 -44.9 52.5 27.7 59.9 374 380 A Y H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 111.1 49.9 -64.5 -28.7 55.1 27.2 57.2 375 381 A N T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.285 116.4-112.5 -92.5 6.9 56.8 30.5 58.1 376 382 A G T < 5S+ 0 0 39 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.633 89.0 109.4 76.6 15.1 56.9 29.8 61.8 377 383 A L < + 0 0 14 -5,-2.4 -4,-0.2 -6,-0.2 -36,-0.2 0.696 67.0 62.7 -94.4 -25.7 54.4 32.5 62.8 378 384 A F S S- 0 0 1 -6,-1.4 -2,-0.2 -9,-0.1 -1,-0.1 -0.932 101.9-106.6 -97.7 126.2 51.5 30.1 63.8 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.180 32.5-142.1 -52.3 137.1 52.7 27.9 66.7 380 386 A Q S S+ 0 0 79 1,-0.2 2,-0.2 -4,-0.1 -299,-0.1 -0.914 97.8 35.2-144.3 115.1 53.4 24.3 65.8 381 387 A P S > S- 0 0 79 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.607 105.1-129.1 -60.5 162.0 52.6 22.3 67.8 382 388 A V T 3 S+ 0 0 6 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.610 104.5 60.3 -67.6 -11.9 49.6 24.6 68.4 383 389 A T T 3 S+ 0 0 79 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.1 0.517 78.6 114.3 -87.8 -9.7 50.3 24.7 72.2 384 390 A D < - 0 0 71 -3,-2.1 2,-0.4 2,-0.0 0, 0.0 -0.331 48.8-165.3 -61.8 139.0 53.8 26.1 71.7 385 391 A R + 0 0 52 1,-0.1 -46,-0.1 -6,-0.0 -2,-0.0 -0.964 29.3 174.0-134.9 122.4 54.2 29.6 73.1 386 392 A Q S S+ 0 0 114 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.645 96.2 37.4 -87.1 -21.0 57.1 32.1 72.5 387 393 A F S > S- 0 0 56 -49,-0.1 3,-0.6 -48,-0.0 -1,-0.2 -0.638 90.5-163.6-129.1 73.2 55.1 34.6 74.5 388 394 A P T 3 + 0 0 90 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.278 59.4 0.1 -66.1 143.8 53.5 32.7 77.4 389 395 A N T 3 + 0 0 115 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.847 65.1 157.7 52.9 50.1 50.6 33.9 79.5 390 396 A Q S < S+ 0 0 52 -3,-0.6 -1,-0.1 1,-0.2 -47,-0.1 0.815 77.6 41.1 -70.5 -25.0 50.0 37.3 78.0 391 397 A a S S- 0 0 18 -122,-0.1 -1,-0.2 -48,-0.1 -2,-0.0 0.698 92.8-138.5 -98.6 -24.3 46.5 37.4 79.3 392 398 A G - 0 0 32 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.877 29.8-170.5 72.1 36.7 46.8 35.9 82.8 393 399 A F 0 0 47 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.344 360.0 360.0 -64.8 141.7 43.7 33.8 82.7 394 400 A H 0 0 193 -44,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.523 360.0 360.0-117.7 360.0 42.4 32.1 85.9