==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-07 2PC8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN XOG1; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.M.CUTFIELD,J.F.CUTFIELD,W.M.PATRICK . 394 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15621.0 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 . 42 10.7 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 . 111 28.2 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 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 0 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 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 -3.0 30.6 13.0 68.5 2 8 A W - 0 0 48 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.986 360.0-139.0-151.7 147.7 32.1 15.9 70.4 3 9 A D > - 0 0 59 -2,-0.3 4,-3.1 1,-0.1 3,-0.3 -0.894 15.8-174.0-112.0 98.5 32.1 17.0 74.1 4 10 A Y T 4 S+ 0 0 19 -2,-0.7 278,-0.2 1,-0.2 -1,-0.1 0.698 83.9 53.5 -70.8 -18.5 31.6 20.8 74.0 5 11 A D T 4 S+ 0 0 118 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.848 124.8 20.0 -75.8 -37.7 32.2 20.9 77.8 6 12 A N T 4 S+ 0 0 124 -3,-0.3 2,-0.2 346,-0.0 -2,-0.2 0.665 110.4 70.3-111.7 -23.3 35.5 19.1 77.8 7 13 A N < - 0 0 67 -4,-3.1 2,-0.4 345,-0.0 -5,-0.0 -0.571 64.7-140.6 -98.6 159.0 37.0 19.3 74.3 8 14 A V - 0 0 40 -2,-0.2 2,-0.3 2,-0.0 345,-0.3 -0.993 17.9-126.6-120.9 130.2 38.4 22.4 72.5 9 15 A I E -a 353 0A 0 343,-2.5 345,-2.5 -2,-0.4 2,-0.4 -0.595 24.7-178.3 -73.8 127.6 37.9 23.0 68.8 10 16 A R E +a 354 0A 66 -2,-0.3 73,-2.7 343,-0.2 74,-0.9 -0.900 32.8 142.7-128.2 96.0 41.1 23.6 66.9 11 17 A G E -ab 355 84A 0 343,-2.3 345,-2.5 -2,-0.4 2,-0.3 -0.751 44.6-139.2-138.8 172.3 40.0 24.2 63.4 12 18 A V E -ab 356 85A 0 72,-1.4 74,-1.6 343,-0.3 2,-0.3 -0.981 26.2-121.5-133.0 149.5 40.2 25.9 60.0 13 19 A N E - b 0 86A 0 343,-2.8 346,-2.3 -2,-0.3 2,-0.7 -0.665 12.9-140.7 -82.3 143.8 37.5 27.1 57.6 14 20 A L > + 0 0 1 72,-2.6 3,-0.7 -2,-0.3 4,-0.4 -0.550 45.4 168.6 -98.5 62.4 37.5 25.7 54.1 15 21 A G T 3 + 0 0 2 -2,-0.7 345,-0.2 1,-0.2 5,-0.1 -0.260 48.5 31.0 -78.3 162.0 36.7 29.1 52.7 16 22 A G T 3 S+ 0 0 2 3,-0.4 -1,-0.2 124,-0.1 5,-0.2 0.451 96.3 96.3 74.6 0.5 36.7 30.2 49.0 17 23 A W S < S+ 0 0 1 -3,-0.7 -2,-0.1 71,-0.1 3,-0.1 0.973 97.2 9.9 -87.2 -65.6 35.7 26.6 48.0 18 24 A F S S+ 0 0 3 70,-0.5 72,-0.4 -4,-0.4 2,-0.4 0.481 133.6 46.0 -96.6 -8.4 31.9 26.6 47.5 19 25 A V S S- 0 0 2 70,-0.1 -3,-0.4 69,-0.1 2,-0.2 -0.978 89.1-130.7-132.0 117.5 31.4 30.4 47.8 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.523 21.0-171.8 -71.8 134.0 33.8 32.5 45.7 21 27 A E >> - 0 0 4 -2,-0.2 4,-1.9 -5,-0.2 3,-1.6 -0.988 18.9-144.2-125.1 116.4 35.5 35.3 47.5 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.848 98.1 52.6 -50.3 -40.0 37.6 37.6 45.2 23 29 A Y T 34 S+ 0 0 12 274,-0.5 340,-0.3 1,-0.2 275,-0.1 0.760 111.5 47.1 -70.0 -21.2 40.3 38.3 47.8 24 30 A M T <4 S+ 0 0 0 -3,-1.6 338,-2.4 1,-0.2 -1,-0.2 0.828 128.8 20.5 -89.6 -36.6 40.9 34.6 48.3 25 31 A T >< + 0 0 0 -4,-1.9 3,-1.6 336,-0.2 4,-0.5 -0.578 69.1 160.9-128.5 67.1 41.0 33.5 44.7 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-1.4 0.775 65.7 75.0 -62.1 -22.6 41.8 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 0.750 91.7 54.9 -60.3 -28.7 42.9 34.6 39.7 28 34 A L G <4 S+ 0 0 32 -3,-1.6 -1,-0.3 -6,-0.1 4,-0.0 0.706 117.9 34.5 -75.7 -18.7 39.2 33.8 38.9 29 35 A F T X4 S+ 0 0 0 -3,-1.4 3,-1.6 -4,-0.5 -2,-0.2 0.729 99.3 75.8-106.6 -30.1 38.4 37.5 38.8 30 36 A E G >< S+ 0 0 72 -4,-2.6 3,-2.0 1,-0.3 -3,-0.1 0.742 79.7 71.7 -60.1 -31.1 41.5 39.2 37.4 31 37 A P G 3 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.759 93.3 60.4 -57.5 -21.2 40.9 38.1 33.8 32 38 A F G < S+ 0 0 50 -3,-1.6 8,-0.2 10,-0.1 -2,-0.2 0.499 82.0 104.5 -82.9 -6.5 38.0 40.7 33.8 33 39 A Q < - 0 0 38 -3,-2.0 2,-0.6 -4,-0.1 5,-0.2 -0.521 63.5-146.0 -72.7 146.1 40.4 43.6 34.5 34 40 A N B > -I 37 0B 119 3,-2.4 3,-2.3 -2,-0.2 2,-0.4 -0.880 63.5 -64.8-113.3 94.0 41.2 46.0 31.6 35 41 A G T 3 S- 0 0 63 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.520 118.4 -17.2 59.7-116.1 44.7 47.0 32.4 36 42 A N T 3 S+ 0 0 165 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.342 114.5 106.4 -97.2 3.3 44.5 48.9 35.6 37 43 A D B < +I 34 0B 82 -3,-2.3 -3,-2.4 1,-0.1 3,-0.2 -0.773 39.1 175.4 -91.6 121.0 40.7 49.4 35.3 38 44 A Q > + 0 0 46 -2,-0.6 3,-1.7 -5,-0.2 -1,-0.1 0.275 51.1 105.7-104.6 6.0 38.7 47.3 37.7 39 45 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -5,-0.1 -6,-0.1 0.747 81.5 46.9 -64.1 -24.3 35.3 48.7 36.7 40 46 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 -8,-0.2 -2,-0.1 0.271 82.1 113.6-100.0 9.2 34.3 45.6 34.7 41 47 A V S < S- 0 0 7 -3,-1.7 -11,-0.1 1,-0.0 -12,-0.1 -0.721 75.6-115.0 -82.0 126.5 35.3 43.0 37.3 42 48 A P - 0 0 10 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.382 22.1-147.8 -60.4 140.4 32.3 41.1 38.6 43 49 A V + 0 0 34 258,-0.1 258,-0.4 101,-0.1 2,-0.3 0.555 67.5 7.3 -93.8 -10.9 32.0 41.9 42.3 44 50 A D S > S- 0 0 1 -23,-0.1 4,-2.6 256,-0.1 5,-0.2 -0.950 84.6 -87.9-159.4 172.8 30.6 38.6 43.6 45 51 A E H > S+ 0 0 1 94,-0.5 4,-2.8 -25,-0.4 5,-0.3 0.872 120.9 60.0 -61.1 -35.6 29.7 35.0 42.7 46 52 A Y H > S+ 0 0 50 96,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.951 113.9 35.0 -54.8 -52.8 26.2 36.2 41.5 47 53 A H H > S+ 0 0 65 95,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.815 114.1 58.2 -76.8 -31.1 27.7 38.5 38.9 48 54 A W H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.954 111.5 41.3 -61.9 -49.4 30.7 36.3 38.1 49 55 A T H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 8,-0.2 0.861 115.0 52.3 -66.3 -34.5 28.3 33.4 37.1 50 56 A Q H < S+ 0 0 107 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.914 110.4 47.1 -68.5 -43.1 26.0 35.8 35.3 51 57 A T H < S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 117.3 42.0 -66.8 -37.3 28.8 37.3 33.2 52 58 A L H X S- 0 0 47 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.783 105.5-135.0 -81.5 -28.7 30.2 34.0 32.2 53 59 A G H X - 0 0 31 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 -0.009 33.2 -69.7 81.3 165.3 27.0 32.2 31.6 54 60 A K H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.861 127.0 49.2 -64.5 -41.8 26.0 28.8 32.7 55 61 A E H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 116.5 39.5 -66.9 -49.3 28.3 26.7 30.5 56 62 A A H X S+ 0 0 20 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.900 114.6 54.7 -66.6 -41.1 31.6 28.6 31.2 57 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -8,-0.2 5,-0.2 0.941 110.1 46.4 -59.8 -47.0 30.8 29.0 34.9 58 64 A L H X S+ 0 0 75 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.894 112.0 50.2 -64.5 -39.7 30.3 25.3 35.3 59 65 A R H X S+ 0 0 168 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.943 116.1 41.6 -62.2 -46.9 33.5 24.4 33.5 60 66 A I H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 116.7 47.9 -70.6 -42.5 35.6 26.8 35.5 61 67 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 -5,-0.3 5,-0.3 0.866 106.1 57.4 -68.4 -34.7 33.9 25.9 38.9 62 68 A Q H X S+ 0 0 61 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.936 109.1 46.2 -59.3 -43.8 34.2 22.2 38.3 63 69 A K H X S+ 0 0 154 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.915 115.2 47.1 -62.1 -45.4 38.0 22.6 37.9 64 70 A H H >X S+ 0 0 16 -4,-2.0 4,-2.9 1,-0.2 3,-1.1 0.960 112.6 48.2 -61.3 -53.4 38.1 24.9 41.1 65 71 A W H 3< S+ 0 0 1 -4,-3.6 4,-0.5 1,-0.2 -1,-0.2 0.860 112.6 49.4 -56.3 -37.7 35.9 22.5 43.2 66 72 A S H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.599 124.6 25.8 -80.6 -11.8 38.0 19.5 42.2 67 73 A T H << S+ 0 0 86 -3,-1.1 -2,-0.2 -4,-0.8 3,-0.2 0.632 100.9 74.4-122.0 -25.9 41.4 21.1 43.0 68 74 A W S < S+ 0 0 18 -4,-2.9 2,-0.4 1,-0.3 -3,-0.1 0.919 115.0 11.2 -63.8 -44.6 41.1 23.9 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 78.4 165.6-132.8 131.2 40.6 21.4 48.5 70 76 A T >> - 0 0 42 -2,-0.4 4,-1.1 -3,-0.2 3,-0.8 -0.754 55.8 -83.9-132.1-179.3 41.3 17.7 48.1 71 77 A E H 3> S+ 0 0 61 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.811 124.0 64.4 -55.2 -33.6 41.7 14.6 50.4 72 78 A Q H 3> S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 97.4 55.6 -60.9 -36.5 45.4 15.6 50.7 73 79 A D H <> S+ 0 0 17 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.891 105.6 51.4 -60.4 -42.2 44.4 18.8 52.5 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.885 109.2 50.4 -65.1 -37.9 42.4 16.8 55.1 75 81 A K H X S+ 0 0 64 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.926 112.0 47.6 -64.0 -42.6 45.5 14.7 55.7 76 82 A Q H X S+ 0 0 49 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.878 109.0 53.9 -67.2 -38.2 47.6 17.8 56.2 77 83 A I H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 3,-0.3 0.945 111.8 45.1 -60.1 -49.0 45.0 19.4 58.5 78 84 A S H ><5S+ 0 0 45 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.918 110.2 54.9 -57.0 -46.8 45.1 16.2 60.7 79 85 A N H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 102.2 57.4 -60.0 -31.2 48.9 16.2 60.6 80 86 A L T 3<5S- 0 0 20 -4,-1.6 302,-0.4 -3,-0.3 -1,-0.3 0.421 123.1-103.7 -81.3 1.5 49.1 19.7 61.9 81 87 A G T < 5S+ 0 0 45 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.612 73.6 142.2 87.5 13.1 47.1 18.8 65.0 82 88 A L < - 0 0 7 -5,-1.9 -1,-0.3 -6,-0.2 -71,-0.2 -0.584 30.6-172.1 -84.4 151.8 43.8 20.3 63.9 83 89 A N + 0 0 40 -73,-2.7 40,-2.2 -2,-0.2 2,-0.3 0.314 59.1 41.4-124.5 7.0 40.5 18.4 64.8 84 90 A F E -bc 11 123A 0 -74,-0.9 -72,-1.4 38,-0.3 2,-0.3 -0.999 49.8-162.4-161.6 144.1 37.8 20.3 63.0 85 91 A V E -bc 12 124A 0 38,-2.3 40,-1.7 -2,-0.3 2,-0.4 -0.990 12.7-147.6-131.7 147.9 36.8 22.1 59.8 86 92 A R E -bc 13 125A 0 -74,-1.6 -72,-2.6 -2,-0.3 40,-0.2 -0.948 15.9-155.8-108.9 130.6 34.0 24.5 59.1 87 93 A I E - c 0 126A 0 38,-2.7 40,-2.2 -2,-0.4 2,-0.2 -0.880 1.6-155.3-117.9 100.3 32.5 24.3 55.6 88 94 A P E + c 0 127A 5 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.511 19.6 172.3 -69.4 138.4 30.7 27.3 54.1 89 95 A I E - c 0 128A 0 38,-2.1 40,-2.7 -2,-0.2 41,-0.8 -0.992 25.7-125.7-145.8 145.5 28.1 26.6 51.4 90 96 A G E > - c 0 130A 0 -72,-0.4 3,-1.6 -2,-0.3 4,-0.3 -0.565 25.0-115.2 -89.5 161.6 25.6 28.9 49.6 91 97 A Y G >> S+ 0 0 6 39,-1.7 3,-2.1 1,-0.3 4,-2.0 0.823 109.8 71.7 -60.8 -32.7 21.9 28.3 49.4 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.632 80.1 71.8 -65.5 -14.2 22.2 27.9 45.6 93 99 A A G <4 S+ 0 0 8 -3,-1.6 12,-0.3 1,-0.1 14,-0.3 0.753 115.9 24.5 -65.0 -24.2 23.9 24.5 46.0 94 100 A F T <4 S+ 0 0 33 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.725 132.6 13.3-111.1 -36.0 20.5 23.2 47.1 95 101 A Q < - 0 0 105 -4,-2.0 2,-0.4 2,-0.0 -1,-0.3 -0.979 58.6-149.6-151.7 134.0 17.9 25.5 45.5 96 102 A L - 0 0 49 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.0 -0.832 18.6-129.3-104.5 141.4 17.8 28.2 42.8 97 103 A L > - 0 0 54 -2,-0.4 3,-2.0 1,-0.1 -2,-0.0 -0.491 46.8 -90.4 -73.4 161.6 15.5 31.2 42.7 98 104 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.835 121.9 25.0 -51.0 -46.9 13.8 31.6 39.3 99 105 A N T 3 S+ 0 0 151 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.108 86.3 144.5-109.1 30.1 16.3 33.8 37.5 100 106 A D < - 0 0 14 -3,-2.0 -4,-0.1 1,-0.1 -54,-0.0 -0.410 40.6-154.4 -67.9 137.8 19.4 32.9 39.6 101 107 A P + 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -48,-0.0 0.596 57.1 116.6 -84.0 -14.7 22.7 32.8 37.6 102 108 A Y - 0 0 3 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.130 55.6-141.4 -58.5 151.4 24.3 30.3 40.0 103 109 A V - 0 0 10 -46,-0.1 2,-0.2 -7,-0.0 3,-0.2 -0.780 13.7-139.3-109.7 156.5 25.4 26.8 39.0 104 110 A Q + 0 0 85 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.539 58.1 99.3-110.2 175.7 25.1 23.7 41.1 105 111 A G > + 0 0 27 -12,-0.3 4,-0.7 -2,-0.2 3,-0.4 0.315 50.2 112.1 126.1 -5.3 27.3 20.7 41.8 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.812 66.9 69.8 -66.0 -32.7 28.8 21.7 45.1 107 113 A V H 3> S+ 0 0 27 -14,-0.3 4,-2.6 1,-0.2 5,-0.2 0.890 91.2 58.7 -58.4 -40.8 26.9 18.9 46.9 108 114 A Q H 3> S+ 0 0 97 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.906 111.7 41.3 -51.9 -43.8 29.0 16.2 45.3 109 115 A Y H S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-0.4 0.930 109.5 48.8 -60.9 -49.1 36.7 14.1 57.4 118 124 A R H ><5S+ 0 0 104 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.928 110.2 50.8 -58.5 -46.1 35.6 10.7 58.6 119 125 A K H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 115.4 42.2 -65.2 -26.6 38.7 9.1 57.3 120 126 A N T 3<5S- 0 0 21 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.227 112.0-113.0-108.2 13.6 41.0 11.6 59.0 121 127 A N T < 5 + 0 0 116 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.861 67.8 145.4 59.0 41.2 39.1 11.8 62.4 122 128 A I < - 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0 0 14 -3,-2.0 -3,-0.2 1,-0.1 -1,-0.2 -0.459 44.7-106.8 -80.4 152.8 40.4 56.3 57.1 315 321 A P - 0 0 85 0, 0.0 -6,-0.6 0, 0.0 2,-0.3 -0.466 39.9 -96.8 -72.5 150.9 43.7 58.0 57.8 316 322 A Y B +J 308 0C 141 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.515 46.5 166.5 -61.1 126.7 46.9 56.7 56.1 317 323 A I - 0 0 63 -10,-3.0 2,-0.3 1,-0.4 -9,-0.2 0.736 61.1 -33.2-106.1 -51.2 48.7 54.4 58.5 318 324 A G - 0 0 12 -11,-1.9 -1,-0.4 0, 0.0 2,-0.2 -0.982 68.2 -78.5-163.5 169.6 51.2 52.7 56.2 319 325 A S - 0 0 56 -2,-0.3 4,-0.2 1,-0.1 -25,-0.1 -0.552 27.8-154.8 -79.5 137.7 51.8 51.5 52.7 320 326 A b S >> S+ 0 0 4 -2,-0.2 3,-2.1 1,-0.2 4,-0.6 0.800 79.7 78.8 -79.6 -31.2 50.3 48.1 51.8 321 327 A Q G >4 S+ 0 0 132 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.875 92.5 49.6 -52.4 -46.7 52.7 47.2 49.0 322 328 A P G 34 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.664 110.5 53.2 -61.0 -19.3 55.5 46.0 51.4 323 329 A L G <4 S+ 0 0 22 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.436 85.3 82.3 -99.7 -1.8 53.0 43.9 53.4 324 330 A L S << S+ 0 0 67 -3,-1.3 2,-0.5 -4,-0.6 -1,-0.2 0.755 91.0 52.0 -76.5 -24.3 51.6 41.9 50.4 325 331 A D S > S- 0 0 72 -4,-0.3 3,-2.3 -3,-0.3 4,-0.3 -0.964 72.0-149.3-119.7 120.4 54.5 39.4 50.4 326 332 A I G > S+ 0 0 13 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.786 98.0 64.3 -62.5 -25.0 55.4 37.7 53.7 327 333 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.697 101.7 51.0 -67.5 -20.4 59.0 37.5 52.5 328 334 A Q G < S+ 0 0 120 -3,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 0.396 83.5 120.1 -95.6 -0.1 59.1 41.3 52.6 329 335 A W < - 0 0 10 -3,-1.1 -6,-0.1 -4,-0.3 -3,-0.0 -0.450 65.4-118.5 -68.9 140.3 57.8 41.6 56.1 330 336 A S > - 0 0 67 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.290 24.4-110.7 -65.6 157.5 59.9 43.4 58.7 331 337 A D H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 120.3 54.4 -55.0 -40.4 61.1 41.5 61.8 332 338 A E H > S+ 0 0 150 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 106.6 49.2 -64.0 -41.8 58.8 43.7 63.8 333 339 A H H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.0 50.3 -66.7 -36.0 55.8 42.8 61.8 334 340 A K H X S+ 0 0 77 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 112.9 46.5 -64.1 -43.3 56.5 39.1 62.0 335 341 A T H X S+ 0 0 64 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.940 111.2 50.8 -64.5 -46.2 56.9 39.4 65.8 336 342 A D H X S+ 0 0 40 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.890 110.7 51.1 -56.5 -42.8 53.7 41.4 66.1 337 343 A T H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.930 109.7 47.6 -62.8 -48.1 51.9 38.8 64.1 338 344 A R H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 112.6 49.8 -60.0 -45.3 53.1 35.9 66.2 339 345 A R H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.907 112.2 48.4 -57.5 -42.9 52.1 37.7 69.5 340 346 A Y H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.892 110.8 49.6 -70.4 -40.5 48.7 38.5 68.0 341 347 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.943 111.9 48.2 -62.1 -47.4 48.1 34.9 67.0 342 348 A E H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 109.8 51.2 -63.3 -41.5 49.1 33.5 70.4 343 349 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 112.3 47.5 -60.7 -43.6 46.9 36.0 72.3 344 350 A Q H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.935 110.4 51.7 -64.1 -45.8 43.9 35.0 70.2 345 351 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.929 111.9 46.6 -56.3 -45.3 44.6 31.3 70.6 346 352 A D H X S+ 0 0 33 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.942 113.5 49.1 -63.5 -45.3 44.7 31.7 74.4 347 353 A A H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.907 114.9 43.4 -59.0 -45.8 41.5 33.8 74.4 348 354 A F H ><>S+ 0 0 7 -4,-2.8 5,-2.2 1,-0.2 3,-1.1 0.850 109.1 55.1 -77.1 -32.5 39.6 31.3 72.2 349 355 A E H 3<5S+ 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.676 91.6 76.1 -68.8 -16.6 40.8 28.2 74.0 350 356 A Y T 3<5S+ 0 0 42 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.764 113.9 14.1 -67.3 -24.4 39.5 29.7 77.2 351 357 A T T < 5S- 0 0 30 -3,-1.1 -68,-0.1 -4,-0.4 3,-0.1 0.054 133.1 -30.8-116.7-124.5 36.0 28.8 75.9 352 358 A G T 5S- 0 0 10 -70,-1.6 -343,-2.5 1,-0.2 2,-0.3 0.595 90.1-110.0 -79.9 -7.4 35.0 26.4 73.1 353 359 A G E < -a 9 0A 0 -5,-2.2 -69,-2.2 -345,-0.3 2,-0.3 -0.758 34.8 -76.4 110.4-162.1 38.0 26.9 70.8 354 360 A W E -ah 10 284A 0 -345,-2.5 -343,-2.3 -2,-0.3 2,-0.4 -0.960 12.2-156.9-150.7 152.8 38.7 28.4 67.4 355 361 A V E -a 11 0A 0 -71,-2.4 -68,-0.4 -2,-0.3 -343,-0.3 -0.909 27.7-140.6-139.9 101.1 38.3 28.2 63.6 356 362 A F E -a 12 0A 0 -345,-2.5 -343,-2.8 -2,-0.4 2,-0.7 -0.425 23.0-108.2 -70.7 138.3 40.8 30.2 61.6 357 363 A W S S+ 0 0 2 -70,-3.1 -68,-0.2 1,-0.2 -343,-0.1 -0.918 87.3 7.9-102.1 104.7 39.7 32.0 58.4 358 364 A S - 0 0 1 -2,-0.7 11,-2.7 -345,-0.3 12,-0.2 0.675 41.7-156.7-144.7 175.5 41.0 30.3 56.3 359 365 A W S S- 0 0 1 -346,-2.3 11,-2.1 9,-0.2 2,-0.3 0.925 90.7 -3.3 -53.9 -46.1 43.0 27.2 55.4 360 366 A K - 0 0 39 -347,-0.2 2,-0.3 -345,-0.2 -1,-0.2 -0.986 53.0-176.0-151.1 151.9 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 -0.931 37.6-116.3-137.0 163.4 44.4 31.7 49.9 362 368 A E S S- 0 0 74 -338,-2.4 -337,-0.1 -2,-0.3 -1,-0.1 0.943 99.4 -20.9 -64.5 -46.4 46.1 32.2 46.6 363 369 A N S S+ 0 0 100 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.102 101.9 107.6-159.2 30.0 48.3 35.0 47.8 364 370 A A > - 0 0 5 -340,-0.2 3,-1.3 1,-0.1 7,-0.1 -0.874 41.8-174.5-117.1 93.5 47.0 36.7 51.0 365 371 A P G > S+ 0 0 10 0, 0.0 3,-1.4 0, 0.0 7,-0.3 0.810 76.9 61.6 -63.8 -32.1 49.3 35.5 53.8 366 372 A E G 3 S+ 0 0 5 1,-0.3 -77,-1.6 5,-0.1 -76,-0.5 0.690 110.4 43.1 -64.1 -19.9 47.4 37.1 56.7 367 373 A W G < S+ 0 0 2 -3,-1.3 2,-0.5 -79,-0.2 -1,-0.3 0.102 96.2 90.3-115.1 15.0 44.4 34.9 55.8 368 374 A S <> - 0 0 0 -3,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.938 50.0-168.0-125.5 112.0 46.2 31.6 55.1 369 375 A F H > S+ 0 0 0 -11,-2.7 4,-2.3 -2,-0.5 5,-0.2 0.883 93.5 52.9 -59.4 -42.2 46.8 29.1 57.9 370 376 A Q H > S+ 0 0 31 -11,-2.1 4,-2.7 -12,-0.2 -1,-0.2 0.946 110.6 44.8 -58.3 -52.5 49.1 27.2 55.5 371 377 A T H > S+ 0 0 41 -12,-0.2 4,-1.5 1,-0.2 6,-0.2 0.891 114.3 48.2 -63.0 -42.9 51.3 30.2 54.7 372 378 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 -7,-0.3 6,-1.3 0.893 113.1 49.0 -66.7 -38.2 51.5 31.4 58.3 373 379 A T H ><5S+ 0 0 16 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.952 110.4 49.5 -65.6 -48.1 52.4 27.8 59.5 374 380 A Y H 3<5S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 111.0 51.0 -64.6 -26.3 55.1 27.3 56.9 375 381 A N T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.250 116.2-112.8 -95.6 9.6 56.7 30.7 57.8 376 382 A G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.621 88.7 109.3 75.2 15.4 56.8 29.9 61.5 377 383 A L < + 0 0 14 -5,-2.5 -4,-0.2 -6,-0.2 -36,-0.2 0.719 66.9 61.4 -97.3 -26.7 54.2 32.5 62.5 378 384 A F S S- 0 0 1 -6,-1.3 -2,-0.2 -9,-0.1 -1,-0.1 -0.929 102.7-106.3 -94.7 125.9 51.4 30.2 63.5 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.186 32.0-142.4 -51.1 134.3 52.5 28.0 66.4 380 386 A Q S S+ 0 0 79 1,-0.2 2,-0.2 -4,-0.1 -299,-0.1 -0.933 98.6 36.5-141.3 115.1 53.2 24.4 65.3 381 387 A P S > S- 0 0 79 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.633 105.1-129.8 -59.5 157.1 52.4 22.4 67.4 382 388 A V T 3 S+ 0 0 6 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.616 105.1 60.8 -65.5 -13.7 49.4 24.8 68.0 383 389 A T T 3 S+ 0 0 79 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.1 0.549 78.0 115.0 -84.6 -11.7 50.2 24.7 71.8 384 390 A D < - 0 0 70 -3,-2.4 2,-0.4 1,-0.0 0, 0.0 -0.315 48.8-165.0 -58.1 135.9 53.7 26.2 71.3 385 391 A R + 0 0 51 1,-0.1 -46,-0.1 -6,-0.0 -2,-0.0 -0.973 29.8 172.0-132.3 121.1 54.1 29.7 72.8 386 392 A Q S S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.616 95.3 37.5 -84.8 -19.7 56.9 32.2 72.1 387 393 A F S > S- 0 0 58 -49,-0.1 3,-0.6 -48,-0.1 -1,-0.2 -0.661 90.0-165.4-131.4 70.4 54.9 34.8 74.1 388 394 A P T 3 + 0 0 91 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.300 59.3 2.4 -67.0 144.9 53.3 32.8 76.9 389 395 A N T 3 + 0 0 118 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.847 65.2 156.1 55.6 48.8 50.5 34.1 79.1 390 396 A Q S < S+ 0 0 51 -3,-0.6 -1,-0.1 1,-0.2 -121,-0.1 0.779 77.4 40.5 -68.8 -26.9 49.9 37.5 77.6 391 397 A a S S- 0 0 17 -122,-0.1 -1,-0.2 -48,-0.0 -2,-0.0 0.711 92.5-138.0 -99.2 -26.8 46.3 37.5 78.9 392 398 A G - 0 0 33 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.887 31.8-178.8 70.8 39.9 46.6 36.0 82.4 393 399 A F 0 0 41 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.386 360.0 360.0 -69.3 150.0 43.5 33.8 82.3 394 400 A H 0 0 192 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.295 360.0 360.0-146.8 360.0 42.6 31.8 85.4