==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-07 2PBO . 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) . 15544.0 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 . 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 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 71 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -11.9 30.6 12.9 68.5 2 8 A W - 0 0 48 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.992 360.0-142.9-149.0 145.9 32.0 15.9 70.5 3 9 A D > - 0 0 63 -2,-0.3 4,-3.0 1,-0.1 3,-0.2 -0.906 13.8-172.4-110.8 100.5 32.0 16.9 74.1 4 10 A Y T 4 S+ 0 0 18 -2,-0.7 278,-0.1 1,-0.2 -1,-0.1 0.664 83.9 53.6 -69.8 -16.4 31.6 20.7 74.2 5 11 A D T 4 S+ 0 0 119 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.865 124.3 19.8 -79.9 -39.3 32.2 20.8 77.9 6 12 A N T 4 S+ 0 0 127 -3,-0.2 2,-0.2 346,-0.0 -2,-0.2 0.656 110.8 71.9-110.5 -19.4 35.6 19.0 77.9 7 13 A N < - 0 0 71 -4,-3.0 2,-0.4 346,-0.0 -5,-0.0 -0.589 64.7-142.2 -98.9 158.9 37.0 19.2 74.4 8 14 A V - 0 0 37 -2,-0.2 2,-0.3 2,-0.0 345,-0.3 -0.992 17.4-126.8-122.2 129.3 38.4 22.2 72.6 9 15 A I E +a 353 0A 0 343,-2.5 345,-2.5 -2,-0.4 2,-0.4 -0.582 25.6 179.8 -72.5 127.5 37.8 22.9 68.9 10 16 A R E +a 354 0A 59 -2,-0.3 73,-2.5 343,-0.2 74,-0.9 -0.895 32.5 135.4-129.8 96.2 41.1 23.4 67.0 11 17 A G E -ab 355 84A 0 343,-2.3 345,-2.4 -2,-0.4 2,-0.3 -0.769 45.6-133.7-141.6 176.8 40.1 24.1 63.4 12 18 A V E -ab 356 85A 0 72,-1.5 74,-1.5 343,-0.3 2,-0.3 -0.977 26.6-118.6-134.8 150.6 40.2 25.8 60.1 13 19 A N E - b 0 86A 0 343,-2.8 346,-2.4 -2,-0.3 2,-0.7 -0.651 13.8-141.1 -81.8 143.4 37.6 27.1 57.7 14 20 A L > + 0 0 1 72,-2.6 3,-0.8 -2,-0.3 4,-0.4 -0.528 43.9 170.2 -97.0 59.8 37.4 25.7 54.2 15 21 A G T 3 + 0 0 2 -2,-0.7 345,-0.2 1,-0.2 5,-0.1 -0.282 49.2 29.2 -74.1 158.6 36.7 29.1 52.8 16 22 A G T 3 S+ 0 0 2 3,-0.4 -1,-0.2 124,-0.1 5,-0.2 0.425 95.6 96.2 78.1 0.5 36.7 30.0 49.1 17 23 A W S < S+ 0 0 0 -3,-0.8 -2,-0.1 71,-0.1 3,-0.1 0.972 97.6 10.9 -88.5 -61.4 35.7 26.5 48.1 18 24 A F S S+ 0 0 2 70,-0.5 2,-0.4 -4,-0.4 72,-0.4 0.509 132.7 46.4 -99.3 -10.3 31.9 26.5 47.6 19 25 A V S S- 0 0 2 69,-0.1 -3,-0.4 70,-0.1 -1,-0.2 -0.974 88.6-129.9-129.7 118.9 31.4 30.3 47.8 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.483 22.6-173.5 -71.5 132.2 33.8 32.3 45.7 21 27 A Q >> - 0 0 7 -2,-0.2 4,-1.8 -5,-0.2 3,-1.5 -0.985 20.1-143.5-126.3 116.5 35.5 35.2 47.5 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 276,-0.1 0.818 98.0 52.5 -50.3 -38.5 37.6 37.5 45.3 23 29 A Y T 34 S+ 0 0 12 274,-0.4 340,-0.3 1,-0.2 275,-0.1 0.760 111.6 46.9 -72.1 -21.6 40.3 38.1 47.8 24 30 A M T <4 S+ 0 0 0 -3,-1.5 338,-2.4 1,-0.2 -1,-0.2 0.826 129.1 20.6 -87.9 -36.3 40.9 34.4 48.4 25 31 A T >< + 0 0 0 -4,-1.8 3,-1.6 336,-0.2 4,-0.4 -0.567 69.2 160.9-131.0 65.7 41.0 33.3 44.7 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-1.6 0.797 66.0 74.3 -60.4 -24.9 41.8 36.5 42.8 27 33 A S G 34 S+ 0 0 58 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.767 92.0 55.3 -59.7 -29.8 42.9 34.4 39.8 28 34 A L G <4 S+ 0 0 32 -3,-1.6 -1,-0.3 1,-0.1 32,-0.0 0.684 117.6 34.1 -74.4 -18.6 39.2 33.7 39.0 29 35 A F T X4 S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.4 -2,-0.2 0.737 100.0 75.8-105.1 -31.9 38.3 37.4 38.9 30 36 A E G >< S+ 0 0 69 -4,-2.7 3,-2.4 1,-0.3 -3,-0.1 0.781 80.1 70.8 -57.8 -33.3 41.5 39.0 37.4 31 37 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 93.7 60.5 -57.1 -20.2 40.9 37.9 33.8 32 38 A F G < S+ 0 0 48 -3,-1.8 8,-0.2 10,-0.1 -2,-0.2 0.511 82.0 106.1 -82.7 -6.7 38.0 40.5 33.8 33 39 A Q < - 0 0 40 -3,-2.4 2,-0.6 -4,-0.2 5,-0.2 -0.484 62.5-146.3 -73.1 145.9 40.4 43.4 34.5 34 40 A N B > -I 37 0B 115 3,-2.5 3,-2.3 -2,-0.1 2,-0.5 -0.858 62.9 -65.0-112.9 91.1 41.1 45.8 31.7 35 41 A G T 3 S- 0 0 64 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.556 118.4 -17.9 64.6-115.1 44.7 46.9 32.3 36 42 A N T 3 S+ 0 0 165 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.419 115.1 107.0 -98.2 -0.4 44.5 48.8 35.6 37 43 A D B < +I 34 0B 78 -3,-2.3 -3,-2.5 1,-0.1 3,-0.2 -0.701 38.4 174.9 -87.4 122.4 40.7 49.3 35.3 38 44 A Q > + 0 0 44 -2,-0.5 3,-1.7 -5,-0.2 -1,-0.1 0.267 51.7 105.4-106.2 6.5 38.7 47.1 37.7 39 45 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -5,-0.1 -6,-0.1 0.739 82.4 47.1 -63.0 -24.4 35.3 48.6 36.8 40 46 A G T 3 S+ 0 0 43 -3,-0.2 -1,-0.3 -8,-0.2 -2,-0.1 0.319 82.3 112.2 -98.6 5.4 34.4 45.5 34.7 41 47 A V S < S- 0 0 6 -3,-1.7 -11,-0.1 1,-0.1 -12,-0.1 -0.689 76.3-114.2 -82.2 127.2 35.4 42.8 37.3 42 48 A P - 0 0 9 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.387 22.1-147.3 -60.9 140.7 32.3 40.9 38.7 43 49 A V + 0 0 34 258,-0.1 258,-0.4 101,-0.1 2,-0.3 0.586 67.9 5.7 -92.4 -11.1 32.0 41.8 42.4 44 50 A D S > S- 0 0 1 -23,-0.1 4,-2.4 256,-0.1 5,-0.2 -0.935 84.2 -87.3-160.3 174.1 30.6 38.5 43.7 45 51 A E H > S+ 0 0 2 94,-0.5 4,-2.7 -25,-0.4 5,-0.3 0.867 120.7 60.0 -63.4 -35.4 29.6 35.0 42.7 46 52 A Y H > S+ 0 0 49 96,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.956 114.5 34.7 -52.9 -54.2 26.2 36.1 41.6 47 53 A H H > S+ 0 0 66 95,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.808 114.0 58.6 -76.4 -30.4 27.7 38.4 39.0 48 54 A W H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.961 111.8 40.7 -60.3 -51.4 30.6 36.1 38.2 49 55 A T H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 8,-0.2 0.858 115.3 52.6 -66.9 -34.3 28.3 33.3 37.2 50 56 A Q H < S+ 0 0 107 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.910 110.7 46.4 -67.5 -43.5 25.9 35.7 35.4 51 57 A T H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.7 42.5 -68.0 -36.9 28.7 37.2 33.3 52 58 A L H < S- 0 0 46 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.803 105.4-134.2 -80.6 -31.2 30.2 33.9 32.3 53 59 A G X - 0 0 31 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 -0.003 33.0 -71.1 83.5 162.6 26.9 32.1 31.6 54 60 A K H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.867 127.3 48.8 -62.2 -41.6 26.0 28.6 32.8 55 61 A E H > S+ 0 0 179 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.931 116.4 39.2 -65.3 -50.7 28.3 26.6 30.6 56 62 A A H > S+ 0 0 20 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.905 115.0 54.4 -67.6 -41.2 31.6 28.5 31.2 57 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -8,-0.2 5,-0.2 0.922 110.7 45.6 -60.4 -45.1 30.8 28.9 35.0 58 64 A L H X S+ 0 0 71 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.905 112.0 51.1 -67.6 -41.0 30.3 25.2 35.4 59 65 A R H X S+ 0 0 171 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.944 116.1 41.2 -58.3 -48.1 33.4 24.3 33.5 60 66 A I H X S+ 0 0 41 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.901 116.6 48.1 -70.5 -40.8 35.5 26.7 35.6 61 67 A L H X S+ 0 0 0 -4,-2.6 4,-3.5 -5,-0.3 5,-0.2 0.852 105.7 57.6 -71.5 -33.8 33.9 25.8 38.9 62 68 A Q H X S+ 0 0 58 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 108.8 47.1 -60.8 -41.6 34.2 22.1 38.4 63 69 A K H X S+ 0 0 156 -4,-1.4 4,-0.7 -5,-0.2 -2,-0.2 0.905 114.6 47.3 -60.9 -45.6 38.0 22.6 38.0 64 70 A H H >X S+ 0 0 14 -4,-1.8 4,-2.7 1,-0.2 3,-1.0 0.950 111.9 48.5 -62.9 -50.2 38.0 24.7 41.1 65 71 A W H 3< S+ 0 0 1 -4,-3.5 4,-0.5 1,-0.2 -1,-0.2 0.854 112.1 49.4 -60.5 -37.1 35.9 22.3 43.2 66 72 A S H 3< S+ 0 0 56 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.578 124.4 26.8 -78.4 -12.2 38.1 19.3 42.3 67 73 A T H << S+ 0 0 84 -3,-1.0 -2,-0.2 -4,-0.7 3,-0.2 0.652 101.1 72.9-122.6 -26.2 41.4 21.0 43.0 68 74 A W S < S+ 0 0 19 -4,-2.7 2,-0.4 1,-0.3 -3,-0.1 0.927 115.7 11.6 -65.6 -46.0 41.1 23.8 45.7 69 75 A I S S+ 0 0 2 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 -1.000 78.0 164.0-130.8 132.5 40.6 21.3 48.5 70 76 A T >> - 0 0 42 -2,-0.4 4,-1.1 -3,-0.2 3,-0.8 -0.740 56.5 -82.9-134.1-178.7 41.2 17.5 48.2 71 77 A E H 3> S+ 0 0 54 1,-0.2 4,-2.0 -2,-0.2 3,-0.2 0.834 124.0 64.6 -56.6 -33.1 41.7 14.5 50.5 72 78 A Q H 3> S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 97.2 56.0 -62.6 -34.6 45.4 15.5 50.9 73 79 A D H <> S+ 0 0 11 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.892 105.6 50.6 -61.5 -43.4 44.3 18.7 52.6 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.2 -1,-0.2 0.884 109.0 51.9 -63.4 -40.9 42.4 16.8 55.2 75 81 A K H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 112.1 45.8 -56.2 -47.5 45.4 14.6 55.9 76 82 A Q H X S+ 0 0 63 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.871 109.9 54.5 -67.2 -40.0 47.6 17.7 56.4 77 83 A I H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 3,-0.3 0.948 111.9 43.9 -56.2 -50.7 45.0 19.3 58.6 78 84 A S H ><5S+ 0 0 44 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.906 111.0 55.0 -59.8 -44.4 45.0 16.2 60.8 79 85 A N H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 101.8 57.8 -59.7 -31.9 48.8 16.1 60.8 80 86 A L T 3<5S- 0 0 22 -4,-1.7 302,-0.4 -3,-0.3 -1,-0.3 0.456 123.8-102.6 -79.6 -1.6 49.1 19.7 62.0 81 87 A G T < 5S+ 0 0 43 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.623 74.7 140.8 91.9 14.0 47.0 18.7 65.1 82 88 A L < - 0 0 7 -5,-1.8 -1,-0.3 -6,-0.2 -71,-0.2 -0.626 31.0-173.0 -88.0 150.5 43.7 20.2 64.1 83 89 A N + 0 0 39 -73,-2.5 40,-2.3 -2,-0.2 2,-0.3 0.260 59.8 43.9-124.1 8.9 40.5 18.3 64.9 84 90 A F E -bc 11 123A 0 -74,-0.9 -72,-1.5 38,-0.3 2,-0.3 -1.000 49.4-163.7-161.1 143.6 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,-0.5 -0.990 13.5-147.1-132.7 147.0 36.7 22.1 59.9 86 92 A R E -bc 13 125A 0 -74,-1.5 -72,-2.6 -2,-0.3 40,-0.2 -0.953 17.2-156.0-105.7 128.8 34.0 24.6 59.2 87 93 A I E - c 0 126A 0 38,-2.8 40,-2.2 -2,-0.5 2,-0.2 -0.859 1.1-155.0-117.6 100.0 32.5 24.3 55.7 88 94 A P E + c 0 127A 5 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.526 20.2 170.7 -69.2 136.7 30.8 27.3 54.2 89 95 A I E - c 0 128A 0 38,-2.3 40,-2.7 -2,-0.2 41,-0.8 -0.988 26.2-126.2-145.3 147.3 28.2 26.6 51.5 90 96 A G E > - c 0 130A 0 -72,-0.4 3,-1.6 -2,-0.3 4,-0.2 -0.572 25.2-114.7 -94.5 160.5 25.6 28.8 49.7 91 97 A Y G >> S+ 0 0 6 39,-1.7 3,-2.3 1,-0.3 4,-1.9 0.827 109.6 71.8 -59.6 -33.4 21.9 28.2 49.5 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.642 80.1 72.6 -63.8 -16.6 22.2 27.8 45.7 93 99 A A G <4 S+ 0 0 8 -3,-1.6 14,-0.3 1,-0.1 12,-0.3 0.727 115.6 23.5 -62.9 -22.7 23.9 24.4 46.1 94 100 A F T <4 S+ 0 0 34 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.731 132.7 14.2-114.0 -36.5 20.5 23.1 47.1 95 101 A Q < - 0 0 107 -4,-1.9 2,-0.4 2,-0.0 -1,-0.4 -0.993 59.1-149.3-149.9 135.3 17.8 25.4 45.6 96 102 A L - 0 0 47 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.859 16.5-132.0-106.7 141.1 17.8 28.1 42.9 97 103 A L > - 0 0 55 -2,-0.4 3,-2.1 1,-0.1 2,-0.1 -0.487 49.4 -81.7 -72.6 158.6 15.5 31.2 42.8 98 104 A D T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.436 121.7 13.6 -58.9 136.0 13.8 31.7 39.4 99 105 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.557 87.9 152.3 70.9 6.1 16.4 33.5 37.2 100 106 A D < - 0 0 13 -3,-2.1 -1,-0.2 1,-0.1 -4,-0.0 -0.480 38.0-151.1 -63.4 139.4 19.3 32.8 39.6 101 107 A P + 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.606 57.3 116.0 -86.4 -14.8 22.6 32.7 37.6 102 108 A Y - 0 0 3 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.124 56.3-140.0 -57.1 151.7 24.3 30.2 40.0 103 109 A V - 0 0 9 -46,-0.1 2,-0.2 -7,-0.0 3,-0.2 -0.781 14.1-138.9-108.9 156.0 25.4 26.7 39.0 104 110 A Q + 0 0 82 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.537 58.5 99.0-109.3 174.8 25.1 23.6 41.1 105 111 A G > + 0 0 25 -12,-0.3 4,-0.7 -2,-0.2 3,-0.5 0.280 50.3 110.8 129.8 -8.8 27.3 20.6 41.8 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.5 -3,-0.2 3,-0.6 0.818 67.4 69.3 -63.0 -34.2 28.8 21.6 45.2 107 113 A V H 3> S+ 0 0 27 -14,-0.3 4,-2.5 1,-0.3 5,-0.2 0.880 91.5 60.0 -60.3 -38.9 26.9 18.9 47.1 108 114 A Q H 3> S+ 0 0 102 -3,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.909 111.8 39.9 -48.6 -46.8 29.0 16.1 45.3 109 115 A Y H S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.4 0.934 109.3 49.1 -62.6 -48.9 36.7 14.1 57.5 118 124 A R H ><5S+ 0 0 105 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.937 110.1 51.9 -55.7 -47.6 35.6 10.7 58.8 119 125 A K H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.777 116.0 40.2 -60.6 -29.1 38.8 9.0 57.4 120 126 A N T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.216 112.0-111.4-111.0 15.5 41.0 11.6 59.2 121 127 A N T < 5 + 0 0 115 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.868 68.6 145.1 56.8 41.7 39.1 11.9 62.5 122 128 A I < - 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0 0 16 -3,-1.7 -3,-0.2 1,-0.1 -1,-0.2 -0.503 44.6-109.2 -81.5 151.4 40.3 56.1 57.1 315 321 A P - 0 0 86 0, 0.0 -6,-0.6 0, 0.0 2,-0.3 -0.485 39.9 -95.8 -71.8 152.4 43.6 57.9 57.7 316 322 A Y B +J 308 0C 141 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.526 47.9 166.0 -63.3 128.2 46.8 56.6 56.1 317 323 A I - 0 0 61 -10,-2.8 2,-0.3 1,-0.4 -9,-0.2 0.743 60.6 -28.6-108.0 -53.3 48.6 54.3 58.5 318 324 A G - 0 0 11 -11,-1.9 -1,-0.4 0, 0.0 2,-0.2 -0.982 67.9 -83.0-160.1 167.6 51.1 52.6 56.3 319 325 A S - 0 0 55 -2,-0.3 4,-0.2 1,-0.1 -25,-0.1 -0.549 27.7-156.0 -79.5 137.1 51.9 51.3 52.8 320 326 A b S >> S+ 0 0 6 -2,-0.2 3,-2.1 1,-0.1 4,-0.7 0.776 79.0 79.2 -80.2 -30.1 50.3 47.9 51.9 321 327 A Q G >4 S+ 0 0 125 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.891 92.4 49.7 -53.6 -47.7 52.7 47.0 49.1 322 328 A P G 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.631 110.8 52.3 -60.3 -18.4 55.5 45.9 51.5 323 329 A L G <4 S+ 0 0 20 -3,-2.1 -2,-0.2 1,-0.2 6,-0.1 0.434 85.7 82.5-101.4 -2.5 53.1 43.7 53.5 324 330 A L S << S+ 0 0 83 -3,-1.4 2,-0.5 -4,-0.7 -1,-0.2 0.763 90.3 53.4 -74.2 -24.6 51.6 41.8 50.5 325 331 A D S > S- 0 0 68 -4,-0.4 3,-2.5 -3,-0.2 4,-0.3 -0.958 72.2-149.6-119.3 119.1 54.6 39.2 50.5 326 332 A I G > S+ 0 0 14 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.786 98.0 61.8 -62.4 -25.7 55.4 37.4 53.7 327 333 A S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.641 102.1 53.2 -72.5 -13.5 59.1 37.3 52.7 328 334 A Q G < S+ 0 0 104 -3,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 0.372 83.2 119.3 -98.4 2.8 59.2 41.1 52.7 329 335 A W < - 0 0 11 -3,-1.2 -6,-0.1 -4,-0.3 -3,-0.0 -0.475 66.2-117.5 -71.6 140.0 57.9 41.5 56.2 330 336 A S > - 0 0 66 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.299 24.1-112.6 -63.4 156.1 60.0 43.2 58.8 331 337 A D H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.875 119.9 55.8 -55.7 -38.6 61.2 41.3 61.8 332 338 A E H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 106.7 48.0 -63.8 -42.1 59.0 43.5 63.9 333 339 A H H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 110.7 51.5 -69.8 -35.2 55.9 42.6 61.9 334 340 A K H X S+ 0 0 76 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 112.7 45.6 -62.0 -45.6 56.6 38.9 62.1 335 341 A T H X S+ 0 0 64 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.925 111.5 51.4 -65.6 -44.1 57.0 39.2 65.9 336 342 A D H X S+ 0 0 29 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.899 110.8 50.8 -57.7 -41.6 53.8 41.3 66.2 337 343 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.932 109.9 47.5 -64.9 -47.4 51.9 38.6 64.2 338 344 A R H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 112.6 50.2 -60.5 -44.7 53.1 35.7 66.3 339 345 A R H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.908 112.2 48.0 -56.1 -44.4 52.2 37.6 69.5 340 346 A Y H X S+ 0 0 2 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.891 111.0 49.5 -69.7 -42.1 48.8 38.3 68.2 341 347 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.942 112.4 47.8 -59.6 -50.9 48.1 34.8 67.1 342 348 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 109.9 51.6 -60.2 -41.7 49.2 33.4 70.5 343 349 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 112.6 46.7 -60.6 -42.8 47.0 35.9 72.4 344 350 A Q H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.921 110.2 52.6 -66.1 -45.1 44.0 34.9 70.3 345 351 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.928 111.6 46.2 -55.8 -45.8 44.6 31.2 70.7 346 352 A D H X S+ 0 0 33 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.929 113.2 49.5 -63.5 -44.9 44.8 31.5 74.5 347 353 A A H < S+ 0 0 1 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.893 115.2 43.3 -60.7 -41.6 41.6 33.7 74.5 348 354 A F H ><>S+ 0 0 6 -4,-2.7 5,-2.1 1,-0.2 3,-1.1 0.853 109.1 54.8 -80.2 -33.3 39.7 31.2 72.4 349 355 A E H 3<5S+ 0 0 48 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.723 92.7 75.2 -68.2 -19.0 40.9 28.0 74.1 350 356 A Y T 3<5S+ 0 0 41 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.749 113.9 15.1 -63.8 -26.3 39.6 29.6 77.3 351 357 A T T < 5S- 0 0 31 -3,-1.1 -68,-0.1 -4,-0.3 3,-0.1 0.011 132.6 -32.1-115.5-127.7 36.1 28.8 76.1 352 358 A G T 5S- 0 0 10 -70,-1.5 -343,-2.5 1,-0.2 2,-0.3 0.592 90.2-107.4 -77.4 -8.6 35.0 26.3 73.3 353 359 A G E < -a 9 0A 0 -5,-2.1 -69,-2.3 -345,-0.3 2,-0.3 -0.747 35.5 -79.5 112.0-163.9 38.0 26.7 70.9 354 360 A W E -ah 10 284A 0 -345,-2.5 -343,-2.3 -2,-0.3 2,-0.4 -0.951 11.6-155.5-150.6 154.1 38.7 28.4 67.6 355 361 A V E -a 11 0A 0 -71,-2.3 -68,-0.4 -2,-0.3 -343,-0.3 -0.917 26.6-140.5-140.4 102.0 38.4 28.1 63.8 356 362 A F E -a 12 0A 0 -345,-2.4 -343,-2.8 -2,-0.4 2,-0.7 -0.430 23.6-108.3 -70.5 136.3 40.9 30.1 61.8 357 363 A W S S+ 0 0 4 -70,-3.2 -68,-0.2 1,-0.2 -343,-0.1 -0.922 87.0 7.2-100.7 106.9 39.8 31.9 58.6 358 364 A S - 0 0 1 -2,-0.7 11,-2.8 -345,-0.3 12,-0.2 0.662 42.2-155.7-142.2 179.3 41.0 30.3 56.4 359 365 A W S S- 0 0 1 -346,-2.4 11,-2.1 9,-0.2 2,-0.3 0.932 90.1 -4.6 -57.6 -46.1 43.0 27.1 55.5 360 366 A K - 0 0 40 -345,-0.2 2,-0.3 -347,-0.2 -1,-0.2 -0.987 52.9-174.9-151.4 153.0 44.4 28.6 52.3 361 367 A T - 0 0 12 -2,-0.3 -336,-0.2 1,-0.1 -337,-0.1 -0.927 37.2-115.9-136.7 164.6 44.4 31.6 50.0 362 368 A E S S- 0 0 73 -338,-2.4 -337,-0.1 -2,-0.3 -1,-0.1 0.952 100.0 -20.3 -65.5 -48.9 46.1 32.1 46.6 363 369 A N S S+ 0 0 101 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.101 102.3 107.0-155.8 29.3 48.4 34.8 47.8 364 370 A A > - 0 0 4 -340,-0.2 3,-1.4 1,-0.1 7,-0.1 -0.862 41.2-175.0-117.3 93.2 47.1 36.5 51.0 365 371 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 7,-0.2 0.784 76.8 61.9 -64.5 -32.0 49.4 35.3 53.8 366 372 A E G 3 S+ 0 0 5 1,-0.2 -77,-1.5 5,-0.1 -76,-0.4 0.684 110.7 42.8 -63.6 -20.1 47.5 37.0 56.8 367 373 A W G < S+ 0 0 2 -3,-1.4 2,-0.5 -79,-0.2 -1,-0.2 0.121 96.0 90.5-113.4 13.6 44.5 34.8 55.9 368 374 A S <> - 0 0 0 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 -0.931 50.5-167.3-123.7 109.3 46.2 31.5 55.2 369 375 A F H > S+ 0 0 0 -11,-2.8 4,-2.4 -2,-0.5 5,-0.2 0.896 93.8 53.4 -53.9 -44.1 46.8 28.9 58.0 370 376 A Q H > S+ 0 0 32 -11,-2.1 4,-2.5 -12,-0.2 -1,-0.2 0.939 110.1 44.8 -57.7 -52.6 49.1 27.0 55.6 371 377 A T H > S+ 0 0 40 -12,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 114.2 48.5 -63.0 -43.9 51.4 30.0 54.8 372 378 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 -7,-0.2 6,-1.2 0.904 113.2 48.2 -65.0 -39.8 51.6 31.2 58.4 373 379 A T H ><5S+ 0 0 14 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.927 110.8 49.5 -66.5 -45.2 52.5 27.7 59.6 374 380 A Y H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 111.0 51.1 -67.0 -26.3 55.2 27.1 57.0 375 381 A N T 3<5S- 0 0 83 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.305 116.3-112.9 -93.4 8.1 56.7 30.5 57.9 376 382 A G T < 5S+ 0 0 40 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.631 88.6 110.1 75.6 16.3 56.9 29.7 61.6 377 383 A L < + 0 0 12 -5,-2.6 -4,-0.2 -6,-0.2 -36,-0.2 0.734 66.4 60.8 -97.7 -25.6 54.3 32.4 62.6 378 384 A F S S- 0 0 1 -6,-1.2 -2,-0.2 -9,-0.1 -1,-0.1 -0.925 102.5-104.5 -97.7 126.6 51.5 30.1 63.6 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.154 32.7-142.6 -50.0 133.6 52.5 27.8 66.5 380 386 A Q S S+ 0 0 80 1,-0.2 2,-0.2 2,-0.1 -299,-0.1 -0.939 98.6 35.2-141.6 115.3 53.3 24.2 65.5 381 387 A P S > S- 0 0 78 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.660 105.1-129.2 -61.0 160.4 52.4 22.3 67.6 382 388 A V T 3 S+ 0 0 6 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.647 105.1 60.9 -67.2 -14.3 49.5 24.6 68.1 383 389 A T T 3 S+ 0 0 81 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.0 0.561 78.3 113.6 -83.0 -12.6 50.2 24.6 71.9 384 390 A D < - 0 0 72 -3,-2.3 2,-0.4 2,-0.0 0, 0.0 -0.316 49.1-165.1 -58.3 137.4 53.7 26.0 71.5 385 391 A R + 0 0 53 1,-0.1 -46,-0.1 -6,-0.0 -2,-0.0 -0.975 29.9 172.8-134.4 123.3 54.2 29.5 72.9 386 392 A Q S S+ 0 0 113 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.592 95.4 38.8 -87.4 -17.7 57.0 32.0 72.3 387 393 A F S > S- 0 0 55 -49,-0.1 3,-0.5 -48,-0.1 -1,-0.2 -0.663 89.9-164.1-132.6 69.7 55.0 34.6 74.2 388 394 A P T 3 + 0 0 92 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.292 59.7 0.0 -65.1 142.0 53.5 32.6 77.1 389 395 A N T 3 + 0 0 117 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.866 65.0 157.9 55.8 52.1 50.6 34.0 79.2 390 396 A Q S < S+ 0 0 52 -3,-0.5 -1,-0.1 1,-0.1 -47,-0.1 0.780 77.8 40.1 -71.5 -25.9 50.0 37.3 77.6 391 397 A a S S- 0 0 19 -122,-0.1 -1,-0.1 -48,-0.1 -2,-0.0 0.729 92.4-138.2 -99.9 -26.5 46.4 37.4 79.0 392 398 A G - 0 0 31 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.904 31.2-177.3 69.9 41.8 46.7 36.0 82.5 393 399 A F 0 0 43 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.391 360.0 360.0 -68.4 147.8 43.6 33.8 82.4 394 400 A H 0 0 196 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.426 360.0 360.0-141.0 360.0 42.6 31.9 85.6