==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-00 1EQP . COMPND 2 MOLECULE: EXO-B-(1,3)-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR J.F.CUTFIELD,P.A.SULLIVAN,S.M.CUTFIELD . 394 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 66.0 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 . 20 5.1 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 . 112 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 1 0 0 0 0 1 0 2 1 0 1 0 0 0 0 1 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 70 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -12.1 30.6 12.8 68.2 2 8 A W - 0 0 50 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.991 360.0-144.0-152.9 142.3 31.9 15.8 70.2 3 9 A D > - 0 0 60 -2,-0.3 4,-2.6 1,-0.2 0, 0.0 -0.879 13.4-174.8-109.6 99.9 32.0 17.0 73.8 4 10 A Y T 4 S+ 0 0 19 -2,-0.7 -1,-0.2 1,-0.2 278,-0.1 0.797 85.1 52.7 -64.7 -27.8 31.5 20.7 73.8 5 11 A D T 4 S+ 0 0 114 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.947 125.0 20.6 -73.0 -45.6 32.1 20.8 77.6 6 12 A N T 4 S+ 0 0 131 2,-0.0 -2,-0.2 346,-0.0 2,-0.1 0.899 109.9 67.0 -95.0 -42.2 35.4 18.9 77.5 7 13 A N < - 0 0 72 -4,-2.6 2,-0.5 1,-0.0 -5,-0.0 -0.382 68.0-136.7 -81.9 158.2 37.0 19.0 74.1 8 14 A V - 0 0 35 -2,-0.1 2,-0.3 2,-0.0 345,-0.2 -0.971 17.8-126.0-116.9 128.4 38.4 22.2 72.4 9 15 A I E +a 353 0A 0 343,-2.3 345,-2.6 -2,-0.5 2,-0.4 -0.554 27.7 178.3 -71.0 128.2 37.8 22.9 68.8 10 16 A R E +a 354 0A 58 -2,-0.3 73,-2.4 343,-0.2 74,-1.0 -0.850 32.2 131.9-132.8 88.5 41.0 23.5 66.8 11 17 A G E -ab 355 84A 0 343,-2.6 345,-2.2 -2,-0.4 2,-0.3 -0.683 46.4-132.1-135.0-173.0 40.0 24.1 63.2 12 18 A V E -ab 356 85A 0 72,-1.4 74,-1.6 343,-0.3 2,-0.3 -0.982 26.6-117.5-141.4 150.8 40.1 25.9 60.0 13 19 A N E - b 0 86A 0 343,-2.7 346,-2.4 -2,-0.3 2,-0.8 -0.684 15.0-139.4 -86.1 148.9 37.5 27.2 57.6 14 20 A L > + 0 0 1 72,-2.2 3,-0.8 -2,-0.3 4,-0.4 -0.652 45.4 170.0-103.9 63.1 37.5 25.7 54.0 15 21 A G T 3 + 0 0 2 -2,-0.8 345,-0.2 1,-0.2 5,-0.1 -0.423 49.7 31.8 -78.5 161.5 36.7 29.2 52.6 16 22 A G T 3 S+ 0 0 2 3,-0.4 -1,-0.2 -2,-0.1 5,-0.2 0.430 96.8 96.1 73.8 2.6 36.8 30.2 48.9 17 23 A W S < S+ 0 0 0 -3,-0.8 -2,-0.1 71,-0.1 51,-0.1 0.961 97.1 8.8 -87.3 -69.8 35.6 26.6 48.0 18 24 A F S S+ 0 0 1 70,-0.5 72,-0.4 -4,-0.4 2,-0.4 0.471 133.3 46.2 -92.9 -8.4 31.9 26.6 47.5 19 25 A V S S- 0 0 3 70,-0.1 -3,-0.4 69,-0.1 2,-0.3 -0.983 88.9-131.5-132.9 116.0 31.3 30.4 47.7 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.625 21.6-172.2 -74.1 139.7 33.8 32.4 45.6 21 27 A E >> - 0 0 9 -2,-0.3 4,-1.7 -5,-0.2 3,-1.4 -0.993 19.5-142.8-129.6 116.1 35.5 35.3 47.4 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 276,-0.1 0.815 98.0 53.1 -51.5 -40.1 37.6 37.6 45.2 23 29 A Y T 34 S+ 0 0 14 274,-0.4 340,-0.3 1,-0.2 339,-0.1 0.800 110.9 47.9 -71.4 -22.0 40.3 38.3 47.7 24 30 A M T <4 S+ 0 0 0 -3,-1.4 338,-2.8 1,-0.2 339,-0.2 0.845 128.1 21.0 -86.5 -34.6 40.9 34.5 48.3 25 31 A T >< + 0 0 0 -4,-1.7 3,-1.4 336,-0.2 4,-0.4 -0.623 69.4 162.2-131.2 67.6 41.0 33.4 44.6 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-1.3 0.795 67.2 72.1 -61.0 -24.7 41.9 36.6 42.7 27 33 A S G 34 S+ 0 0 56 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.772 92.6 55.4 -64.8 -25.3 43.0 34.6 39.6 28 34 A L G <4 S+ 0 0 31 -3,-1.4 -1,-0.3 1,-0.1 4,-0.1 0.698 117.5 35.5 -78.8 -15.4 39.3 33.7 38.8 29 35 A F T X4 S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.4 -2,-0.2 0.740 100.8 74.3-105.6 -30.3 38.4 37.4 38.8 30 36 A E G >< S+ 0 0 67 -4,-2.6 3,-3.0 1,-0.3 -3,-0.1 0.827 79.9 70.9 -57.2 -37.4 41.5 39.0 37.3 31 37 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.762 94.2 59.6 -53.9 -24.3 40.9 37.8 33.6 32 38 A F G < S+ 0 0 48 -3,-1.5 2,-0.4 10,-0.1 8,-0.2 0.501 82.3 107.8 -82.1 -4.2 38.0 40.4 33.6 33 39 A Q < - 0 0 40 -3,-3.0 2,-1.1 -4,-0.1 5,-0.2 -0.634 62.2-147.5 -80.4 130.8 40.4 43.3 34.3 34 40 A N B > -I 37 0B 124 3,-1.8 3,-2.8 -2,-0.4 2,-0.5 -0.775 62.3 -66.3 -98.7 92.4 41.1 45.6 31.4 35 41 A G T 3 S- 0 0 65 -2,-1.1 -2,-0.0 1,-0.3 0, 0.0 -0.502 117.9 -18.4 65.4-112.8 44.7 46.7 32.0 36 42 A N T 3 S+ 0 0 163 -2,-0.5 2,-0.6 -3,-0.0 -1,-0.3 0.347 112.6 110.2-104.5 2.8 44.4 48.7 35.3 37 43 A D B < +I 34 0B 85 -3,-2.8 -3,-1.8 1,-0.1 3,-0.3 -0.739 37.1 175.4 -84.0 120.5 40.6 49.2 34.9 38 44 A Q > + 0 0 49 -2,-0.6 3,-1.6 -5,-0.2 -1,-0.1 0.372 53.7 100.9-102.5 0.4 38.7 47.2 37.5 39 45 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.706 83.1 47.9 -61.7 -20.2 35.3 48.6 36.6 40 46 A G T 3 S+ 0 0 48 -3,-0.3 -1,-0.3 -8,-0.2 -2,-0.1 0.399 80.9 112.1-100.4 1.0 34.3 45.4 34.6 41 47 A V S < S- 0 0 6 -3,-1.6 -11,-0.1 1,-0.1 -12,-0.1 -0.665 77.0-115.7 -74.5 128.3 35.4 42.8 37.2 42 48 A P - 0 0 8 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.415 22.7-146.6 -61.3 137.3 32.3 41.0 38.5 43 49 A V + 0 0 33 258,-0.1 258,-0.4 -2,-0.1 2,-0.3 0.476 68.5 9.2 -88.8 -6.9 32.1 41.8 42.2 44 50 A D S > S- 0 0 0 -23,-0.1 4,-2.3 256,-0.1 5,-0.1 -0.949 85.2 -89.7-159.4 172.7 30.6 38.6 43.6 45 51 A E H > S+ 0 0 1 94,-0.5 4,-2.6 -25,-0.4 5,-0.3 0.850 121.4 60.1 -61.0 -37.7 29.7 35.0 42.6 46 52 A Y H > S+ 0 0 48 96,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.964 113.9 35.2 -54.8 -53.5 26.2 36.1 41.5 47 53 A H H > S+ 0 0 66 95,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.787 114.1 58.5 -71.6 -32.4 27.7 38.5 38.9 48 54 A W H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 111.4 40.8 -63.4 -46.6 30.7 36.2 38.0 49 55 A T H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 8,-0.2 0.830 114.4 53.3 -71.2 -32.7 28.3 33.4 37.0 50 56 A Q H < S+ 0 0 106 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.904 110.5 46.3 -69.0 -42.7 25.9 35.8 35.2 51 57 A T H < S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.6 44.4 -69.8 -35.4 28.7 37.3 33.1 52 58 A L H X S- 0 0 45 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.803 103.5-136.0 -81.5 -29.4 30.2 33.9 32.2 53 59 A G H X - 0 0 32 -4,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.017 34.7 -72.0 87.5 158.6 26.9 32.1 31.4 54 60 A K H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.838 125.9 53.7 -56.9 -46.3 26.1 28.6 32.6 55 61 A E H > S+ 0 0 180 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.933 115.4 35.3 -60.6 -52.7 28.4 26.7 30.3 56 62 A A H X S+ 0 0 20 -4,-0.5 4,-3.0 2,-0.2 5,-0.3 0.914 116.2 55.8 -71.8 -39.7 31.7 28.5 31.1 57 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -8,-0.2 5,-0.2 0.934 109.5 46.6 -59.7 -43.3 30.8 29.0 34.8 58 64 A S H X S+ 0 0 45 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 113.2 48.9 -66.5 -37.8 30.2 25.2 35.2 59 65 A R H X S+ 0 0 167 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.920 114.6 44.2 -69.8 -41.1 33.5 24.3 33.5 60 66 A I H X S+ 0 0 41 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.927 116.2 46.6 -70.0 -38.4 35.6 26.8 35.5 61 67 A L H X S+ 0 0 0 -4,-2.6 4,-4.0 -5,-0.3 5,-0.3 0.890 105.9 57.3 -72.3 -35.1 33.9 25.9 38.8 62 68 A Q H X S+ 0 0 67 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.900 110.5 46.2 -61.3 -36.0 34.2 22.1 38.3 63 69 A K H X S+ 0 0 156 -4,-1.3 4,-0.7 -5,-0.2 -1,-0.2 0.870 115.6 45.7 -71.1 -41.4 38.0 22.7 37.9 64 70 A H H >X S+ 0 0 14 -4,-1.8 4,-2.7 2,-0.2 3,-1.0 0.959 113.4 48.9 -65.2 -50.4 38.1 24.9 41.0 65 71 A W H 3X S+ 0 0 1 -4,-4.0 4,-0.5 1,-0.3 -2,-0.2 0.862 112.3 48.6 -59.1 -38.4 35.9 22.6 43.1 66 72 A S H 3< S+ 0 0 54 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.621 123.8 28.0 -80.4 -11.9 38.0 19.5 42.2 67 73 A T H << S+ 0 0 88 -3,-1.0 -2,-0.2 -4,-0.7 3,-0.2 0.653 102.1 72.5-120.5 -19.1 41.4 21.1 42.9 68 74 A W H < S+ 0 0 20 -4,-2.7 2,-0.4 1,-0.3 -3,-0.1 0.923 115.2 12.1 -64.3 -47.3 41.0 23.8 45.6 69 75 A I S < S+ 0 0 2 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 -0.999 78.6 164.1-130.2 128.2 40.5 21.4 48.4 70 76 A T >> - 0 0 46 -2,-0.4 3,-1.1 -3,-0.2 4,-1.0 -0.763 56.0 -83.9-132.2-175.7 41.2 17.7 48.0 71 77 A E H 3> S+ 0 0 67 1,-0.3 4,-2.0 -2,-0.2 3,-0.2 0.813 122.9 64.8 -59.1 -33.6 41.7 14.7 50.3 72 78 A Q H 3> S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 97.7 54.0 -60.7 -34.6 45.4 15.6 50.7 73 79 A D H <> S+ 0 0 14 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.865 106.5 52.0 -66.3 -39.0 44.4 18.9 52.5 74 80 A F H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.889 110.0 49.0 -64.3 -38.4 42.3 16.9 55.0 75 81 A K H X S+ 0 0 57 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 113.2 47.3 -62.7 -44.0 45.3 14.6 55.7 76 82 A Q H X S+ 0 0 46 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.887 108.9 53.4 -63.2 -43.5 47.5 17.7 56.1 77 83 A I H ><>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-0.6 0.946 112.8 45.4 -59.9 -45.2 44.9 19.4 58.4 78 84 A S H ><5S+ 0 0 43 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.913 109.5 53.9 -64.7 -41.6 45.0 16.3 60.6 79 85 A N H 3<5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.726 102.2 60.2 -66.1 -21.0 48.8 16.0 60.6 80 86 A L T <<5S- 0 0 21 -4,-1.1 302,-0.4 -3,-0.6 -1,-0.3 0.433 124.0-100.3 -87.4 1.3 49.0 19.6 61.9 81 87 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.571 77.0 138.9 95.1 7.8 47.1 18.8 65.0 82 88 A L < - 0 0 7 -5,-1.8 -1,-0.3 -6,-0.2 -71,-0.2 -0.594 30.9-175.0 -87.7 148.8 43.7 20.2 63.9 83 89 A N + 0 0 40 -73,-2.4 40,-2.2 -2,-0.2 2,-0.3 0.336 59.8 42.8-124.7 7.8 40.4 18.3 64.6 84 90 A F E -bc 11 123A 0 -74,-1.0 -72,-1.4 38,-0.2 2,-0.3 -1.000 49.0-163.6-156.8 153.0 37.8 20.3 62.8 85 91 A V E -bc 12 124A 0 38,-2.2 40,-1.6 -2,-0.3 2,-0.5 -0.987 13.8-146.9-134.5 147.7 36.7 22.1 59.7 86 92 A R E -bc 13 125A 0 -74,-1.6 -72,-2.2 -2,-0.3 40,-0.2 -0.958 18.0-156.4-110.1 126.2 33.9 24.6 59.1 87 93 A I E - c 0 126A 0 38,-2.7 40,-2.1 -2,-0.5 2,-0.1 -0.838 0.2-155.5-117.7 102.7 32.4 24.4 55.5 88 94 A P E + c 0 127A 4 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.446 19.4 170.9 -70.2 143.1 30.7 27.4 54.1 89 95 A I E - c 0 128A 0 38,-2.2 40,-2.7 -2,-0.1 41,-0.7 -0.994 26.0-126.5-149.4 145.7 28.1 26.7 51.3 90 96 A G E > - c 0 130A 0 -72,-0.4 3,-1.3 -2,-0.3 4,-0.2 -0.585 26.4-112.5 -94.6 164.8 25.6 28.9 49.6 91 97 A Y G >> S+ 0 0 6 39,-1.6 3,-2.2 1,-0.2 4,-2.0 0.801 109.3 72.2 -61.2 -31.3 21.8 28.3 49.3 92 98 A W G 34 S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.2 39,-0.0 0.685 80.1 71.9 -61.7 -19.5 22.2 27.8 45.4 93 99 A A G <4 S+ 0 0 7 -3,-1.3 12,-0.3 1,-0.2 14,-0.3 0.758 114.9 25.4 -67.0 -20.3 23.9 24.5 45.9 94 100 A F T <4 S+ 0 0 31 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.712 132.7 11.8-113.0 -32.9 20.5 23.2 46.9 95 101 A Q < - 0 0 113 -4,-2.0 2,-0.3 2,-0.0 -1,-0.3 -0.972 58.4-148.2-151.5 138.7 17.9 25.4 45.3 96 102 A L - 0 0 48 -2,-0.3 2,-0.2 -3,-0.1 3,-0.1 -0.790 17.1-133.1-107.8 145.5 17.8 28.1 42.6 97 103 A L > - 0 0 55 -2,-0.3 3,-2.2 1,-0.1 2,-0.1 -0.591 49.2 -82.4 -82.3 161.5 15.4 31.1 42.6 98 104 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.412 121.5 16.1 -63.0 134.1 13.8 31.7 39.2 99 105 A N T 3 S+ 0 0 155 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.0 0.486 87.8 148.6 81.4 3.6 16.4 33.6 37.1 100 106 A D < - 0 0 15 -3,-2.2 -1,-0.3 1,-0.2 -4,-0.0 -0.528 38.8-153.3 -70.7 138.7 19.3 32.8 39.4 101 107 A P + 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -48,-0.1 0.564 55.6 116.3 -85.5 -15.3 22.6 32.6 37.4 102 108 A Y - 0 0 4 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.185 56.8-139.2 -56.1 152.6 24.3 30.3 39.8 103 109 A V - 0 0 7 -46,-0.1 3,-0.2 1,-0.0 2,-0.1 -0.803 15.2-140.3-109.7 155.6 25.4 26.8 38.8 104 110 A Q + 0 0 87 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.374 58.2 100.2-104.4-178.4 25.1 23.7 41.0 105 111 A G > + 0 0 24 -12,-0.3 4,-0.7 -2,-0.1 3,-0.3 0.277 49.1 112.7 121.1 -5.8 27.2 20.7 41.7 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.843 67.3 69.7 -65.8 -32.7 28.8 21.7 45.0 107 113 A V H 3> S+ 0 0 25 -14,-0.3 4,-3.1 1,-0.2 5,-0.3 0.897 91.3 57.2 -53.8 -44.2 26.9 18.9 46.9 108 114 A Q H 3> S+ 0 0 102 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.919 111.9 42.8 -56.3 -40.2 28.9 16.1 45.2 109 115 A Y H S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 4,-0.2 0.934 110.4 49.1 -62.0 -47.3 36.7 14.2 57.3 118 124 A R H ><5S+ 0 0 105 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.914 110.1 50.4 -57.8 -46.6 35.6 10.7 58.5 119 125 A K H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 116.2 42.0 -63.5 -33.4 38.8 9.0 57.2 120 126 A N T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.280 112.8-112.3-101.3 14.0 41.0 11.6 58.9 121 127 A N T < 5 + 0 0 114 -3,-1.2 2,-0.4 -4,-0.2 -3,-0.2 0.871 67.1 145.9 60.9 39.9 39.1 11.9 62.2 122 128 A I < - 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0 0 14 -3,-1.9 -3,-0.2 1,-0.1 -1,-0.2 -0.636 44.1-105.7 -95.4 155.4 40.3 56.3 57.1 315 321 A P - 0 0 84 0, 0.0 -6,-0.5 0, 0.0 2,-0.2 -0.439 41.8 -95.8 -74.2 150.6 43.7 58.0 57.8 316 322 A Y B +J 308 0C 146 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.444 45.5 166.5 -63.6 130.8 46.9 56.7 56.2 317 323 A I - 0 0 63 -10,-2.7 2,-0.3 1,-0.5 -9,-0.2 0.707 60.6 -37.5-113.1 -52.5 48.8 54.3 58.5 318 324 A G - 0 0 12 -11,-1.9 -1,-0.5 0, 0.0 2,-0.2 -0.980 68.2 -74.7-164.0 173.3 51.3 52.7 56.1 319 325 A S - 0 0 60 -2,-0.3 -25,-0.1 1,-0.1 4,-0.1 -0.530 27.4-155.5 -80.4 140.2 51.9 51.4 52.6 320 326 A b S >> S+ 0 0 8 -2,-0.2 3,-3.0 1,-0.1 4,-0.6 0.807 78.6 82.0 -81.8 -31.1 50.3 48.0 51.8 321 327 A Q G >4 S+ 0 0 123 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.894 91.1 49.4 -40.9 -56.8 52.8 47.1 49.0 322 328 A P G 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.510 108.3 55.1 -65.0 -6.7 55.5 45.8 51.3 323 329 A L G <4 S+ 0 0 23 -3,-3.0 -2,-0.2 1,-0.1 6,-0.1 0.432 84.1 83.0-106.5 -0.6 53.0 43.6 53.2 324 330 A L S << S+ 0 0 83 -3,-1.5 2,-0.5 -4,-0.6 -1,-0.1 0.727 90.6 52.4 -72.9 -24.4 51.6 41.7 50.2 325 331 A D S > S- 0 0 65 -4,-0.3 3,-2.8 1,-0.1 4,-0.5 -0.948 70.7-150.7-120.7 116.9 54.5 39.2 50.3 326 332 A I G > S+ 0 0 15 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.753 98.0 62.2 -53.4 -27.7 55.4 37.4 53.5 327 333 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.0 0.662 102.2 52.0 -74.6 -15.1 59.1 37.2 52.4 328 334 A Q G < S+ 0 0 102 -3,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.504 82.0 120.6 -98.4 -3.0 59.2 41.0 52.5 329 335 A W < - 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0 0 1 -2,-0.6 11,-2.8 -345,-0.3 12,-0.2 0.699 41.9-157.8-141.8-178.8 41.0 30.3 56.3 359 365 A W S S- 0 0 1 -346,-2.4 11,-2.2 9,-0.2 2,-0.3 0.932 90.6 -3.8 -57.8 -46.6 43.0 27.2 55.4 360 366 A K - 0 0 39 -345,-0.2 2,-0.3 -347,-0.2 -1,-0.2 -0.992 52.2-172.4-150.3 156.0 44.4 28.7 52.2 361 367 A T - 0 0 12 -2,-0.3 -336,-0.2 1,-0.1 -337,-0.1 -0.921 38.1-114.8-136.5 163.9 44.4 31.7 49.9 362 368 A E S S- 0 0 68 -338,-2.8 -1,-0.1 -2,-0.3 -337,-0.1 0.968 100.5 -23.9 -66.6 -46.4 46.0 32.1 46.5 363 369 A N S S+ 0 0 103 -340,-0.3 -1,-0.1 -339,-0.2 -338,-0.1 0.112 101.5 110.2-156.3 34.3 48.4 34.8 47.8 364 370 A A > - 0 0 5 -340,-0.2 3,-1.1 1,-0.2 7,-0.1 -0.875 41.9-172.0-115.9 97.1 47.1 36.6 50.9 365 371 A P G > S+ 0 0 9 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.775 77.5 60.8 -61.6 -33.3 49.4 35.4 53.7 366 372 A E G 3 S+ 0 0 6 1,-0.3 -77,-1.5 5,-0.1 -76,-0.5 0.658 110.5 43.5 -67.5 -22.0 47.5 37.0 56.7 367 373 A W G < S+ 0 0 2 -3,-1.1 2,-0.5 -79,-0.2 -1,-0.3 0.180 96.0 89.7-108.5 13.9 44.5 34.9 55.8 368 374 A S <> - 0 0 1 -3,-1.3 4,-2.2 1,-0.2 5,-0.2 -0.915 50.8-167.7-120.0 111.2 46.2 31.6 55.1 369 375 A F H > S+ 0 0 0 -11,-2.8 4,-2.3 -2,-0.5 5,-0.2 0.915 93.5 53.5 -57.9 -41.5 46.8 29.0 57.8 370 376 A Q H > S+ 0 0 31 -11,-2.2 4,-2.6 -12,-0.2 -1,-0.2 0.952 109.7 45.4 -58.0 -51.9 49.1 27.1 55.5 371 377 A T H > S+ 0 0 40 -12,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.891 114.7 47.0 -61.1 -44.5 51.3 30.0 54.7 372 378 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 -7,-0.3 6,-1.4 0.869 113.8 48.6 -66.7 -39.5 51.6 31.2 58.3 373 379 A T H ><5S+ 0 0 15 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.930 111.1 49.5 -67.2 -44.6 52.4 27.7 59.5 374 380 A Y H 3<5S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.842 111.8 48.9 -65.2 -30.4 55.0 27.1 56.8 375 381 A N T 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.315 117.2-111.8 -91.0 7.5 56.8 30.4 57.7 376 382 A G T < 5S+ 0 0 41 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.704 88.8 111.0 73.5 22.1 56.8 29.7 61.4 377 383 A L < + 0 0 10 -5,-3.0 -4,-0.2 -6,-0.2 -36,-0.1 0.704 67.3 61.4 -97.0 -25.0 54.3 32.4 62.4 378 384 A F S S- 0 0 1 -6,-1.4 -2,-0.2 -9,-0.1 -1,-0.1 -0.924 102.4-106.4-101.6 123.7 51.5 30.0 63.4 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.160 32.2-140.9 -50.3 138.0 52.6 27.8 66.3 380 386 A Q S S+ 0 0 79 2,-0.1 2,-0.2 1,-0.1 -299,-0.1 -0.930 98.4 34.7-146.0 115.2 53.3 24.2 65.4 381 387 A P S > S- 0 0 77 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.647 104.7-129.1 -60.5 162.3 52.4 22.2 67.4 382 388 A V T 3 S+ 0 0 5 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.638 105.2 61.0 -62.8 -15.4 49.5 24.6 68.0 383 389 A T T 3 S+ 0 0 80 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.1 0.538 79.6 115.5 -87.7 -8.3 50.1 24.6 71.7 384 390 A D < - 0 0 69 -3,-2.0 2,-0.4 1,-0.0 0, 0.0 -0.291 48.4-164.5 -64.0 140.2 53.6 26.0 71.3 385 391 A R + 0 0 52 1,-0.1 -46,-0.1 -6,-0.0 -2,-0.0 -0.950 30.4 171.2-135.9 124.0 54.2 29.5 72.7 386 392 A Q S S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.627 95.4 37.1 -94.9 -17.6 57.0 32.0 72.1 387 393 A F S S- 0 0 54 -49,-0.1 3,-0.5 -48,-0.1 -1,-0.2 -0.695 90.5-162.7-133.1 73.0 55.0 34.6 74.1 388 394 A P - 0 0 92 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.336 59.1 -0.7 -66.0 144.8 53.4 32.7 76.9 389 395 A N + 0 0 115 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.881 64.9 157.5 45.8 59.9 50.6 34.0 79.0 390 396 A Q S S+ 0 0 52 -3,-0.5 -1,-0.1 1,-0.1 -47,-0.1 0.774 77.9 41.7 -81.0 -21.3 50.0 37.4 77.5 391 397 A a S S- 0 0 19 -122,-0.1 -1,-0.1 -48,-0.0 -2,-0.0 0.722 92.1-140.1 -99.3 -25.0 46.4 37.4 78.8 392 398 A G - 0 0 32 1,-0.1 -2,-0.0 2,-0.0 -123,-0.0 0.830 29.1-175.6 71.2 35.7 46.7 36.0 82.4 393 399 A F 0 0 44 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.282 360.0 360.0 -63.8 150.9 43.5 33.9 82.3 394 400 A H 0 0 196 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.627 360.0 360.0-127.6 360.0 42.6 32.0 85.5