==== 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 03-APR-07 2PF0 . 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) . 15674.0 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 . 18 4.6 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 . 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 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 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 11.4 30.8 13.1 68.4 2 8 A W - 0 0 47 177,-0.0 2,-0.7 5,-0.0 3,-0.1 -0.974 360.0-137.2-157.7 146.4 32.3 16.0 70.3 3 9 A D > - 0 0 59 -2,-0.3 4,-3.3 1,-0.1 3,-0.2 -0.901 16.4-174.8-112.7 99.1 32.4 17.1 74.0 4 10 A Y T 4 S+ 0 0 19 -2,-0.7 278,-0.2 1,-0.2 -1,-0.1 0.688 83.4 54.5 -70.5 -18.6 31.8 20.8 74.0 5 11 A D T 4 S+ 0 0 119 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.868 126.2 16.3 -74.7 -38.7 32.4 20.9 77.8 6 12 A N T 4 S+ 0 0 122 -3,-0.2 -2,-0.2 346,-0.0 2,-0.2 0.687 110.2 74.0-112.7 -24.3 35.8 19.2 77.7 7 13 A N < - 0 0 71 -4,-3.3 2,-0.4 346,-0.0 -5,-0.0 -0.554 64.8-141.6 -93.8 158.6 37.2 19.3 74.2 8 14 A V - 0 0 36 -2,-0.2 2,-0.3 2,-0.0 345,-0.3 -0.992 16.9-126.4-121.8 128.7 38.7 22.4 72.4 9 15 A I E +a 353 0A 0 343,-2.6 345,-2.5 -2,-0.4 2,-0.4 -0.565 25.7 179.7 -72.5 129.6 38.1 23.1 68.7 10 16 A R E +a 354 0A 58 -2,-0.3 73,-2.6 343,-0.2 74,-1.0 -0.871 32.9 136.2-131.7 92.9 41.4 23.6 66.8 11 17 A G E -ab 355 84A 0 343,-2.4 345,-2.3 -2,-0.4 2,-0.3 -0.737 45.4-134.9-139.0 177.6 40.3 24.2 63.3 12 18 A V E -ab 356 85A 0 72,-1.5 74,-1.6 343,-0.3 2,-0.3 -0.976 26.2-119.1-136.4 150.9 40.4 26.0 59.9 13 19 A N E - b 0 86A 0 343,-2.8 346,-2.3 -2,-0.3 2,-0.6 -0.665 14.2-139.9 -83.0 145.6 37.8 27.3 57.6 14 20 A L > + 0 0 1 72,-2.5 3,-0.8 -2,-0.3 4,-0.4 -0.580 43.9 170.9 -98.6 61.8 37.7 25.9 54.1 15 21 A G T 3 + 0 0 1 -2,-0.6 345,-0.2 1,-0.2 5,-0.1 -0.315 49.9 29.7 -75.3 157.1 36.9 29.3 52.6 16 22 A G T 3 S+ 0 0 3 3,-0.4 -1,-0.2 124,-0.1 5,-0.2 0.397 95.2 97.5 78.6 1.3 36.9 30.2 49.0 17 23 A W S < S+ 0 0 0 -3,-0.8 -2,-0.1 71,-0.1 3,-0.1 0.985 97.4 8.8 -87.8 -64.6 35.9 26.7 47.9 18 24 A F S S+ 0 0 3 70,-0.5 2,-0.4 -4,-0.4 72,-0.4 0.477 132.8 47.8 -99.9 -9.9 32.1 26.7 47.4 19 25 A V S S- 0 0 3 69,-0.1 -3,-0.4 70,-0.1 2,-0.2 -0.970 88.6-130.5-128.4 117.1 31.6 30.4 47.7 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.474 22.1-173.5 -68.7 132.5 33.9 32.5 45.6 21 27 A E >> - 0 0 6 -2,-0.2 4,-1.8 -5,-0.2 3,-1.6 -0.977 19.4-145.0-125.7 114.4 35.7 35.4 47.4 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.837 97.4 52.9 -49.0 -40.4 37.8 37.7 45.1 23 29 A Y T 34 S+ 0 0 13 274,-0.4 340,-0.3 1,-0.2 275,-0.1 0.770 111.9 47.4 -70.1 -21.9 40.6 38.4 47.6 24 30 A M T <4 S+ 0 0 0 -3,-1.6 338,-2.3 1,-0.2 -1,-0.2 0.829 129.1 19.4 -87.1 -36.6 41.1 34.6 48.2 25 31 A T >< + 0 0 0 -4,-1.8 3,-1.7 336,-0.2 4,-0.5 -0.573 69.6 161.7-130.0 65.8 41.2 33.5 44.5 26 32 A P G >> + 0 0 2 0, 0.0 4,-2.8 0, 0.0 3,-1.5 0.797 66.0 74.4 -61.1 -24.1 42.0 36.7 42.6 27 33 A S G 34 S+ 0 0 58 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.764 91.6 55.8 -59.6 -27.3 43.0 34.6 39.6 28 34 A L G <4 S+ 0 0 32 -3,-1.7 -1,-0.3 -6,-0.1 32,-0.0 0.712 117.9 33.5 -76.3 -18.7 39.4 33.9 38.8 29 35 A F T X4 S+ 0 0 0 -3,-1.5 3,-1.9 -4,-0.5 -2,-0.2 0.739 100.1 76.1-104.7 -32.1 38.5 37.6 38.7 30 36 A E G >< S+ 0 0 68 -4,-2.8 3,-2.4 1,-0.3 -3,-0.1 0.781 79.9 71.2 -58.6 -32.8 41.7 39.2 37.3 31 37 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.729 93.7 59.2 -58.5 -18.8 41.1 38.1 33.7 32 38 A F G < S+ 0 0 48 -3,-1.9 8,-0.2 10,-0.1 2,-0.2 0.459 82.0 106.4 -84.7 -5.8 38.2 40.7 33.6 33 39 A Q < - 0 0 40 -3,-2.4 2,-0.7 -4,-0.1 5,-0.2 -0.535 63.3-145.9 -73.2 144.8 40.6 43.6 34.4 34 40 A N B > -I 37 0B 116 3,-2.6 3,-2.4 -2,-0.2 2,-0.4 -0.874 63.1 -65.8-112.0 90.9 41.3 46.0 31.5 35 41 A G T 3 S- 0 0 62 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.506 117.7 -16.8 62.0-116.4 44.9 47.0 32.3 36 42 A N T 3 S+ 0 0 167 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.367 115.4 106.7 -96.1 2.1 44.7 48.9 35.5 37 43 A D B < +I 34 0B 85 -3,-2.4 -3,-2.6 1,-0.1 3,-0.2 -0.752 38.7 173.8 -88.9 119.2 41.0 49.4 35.1 38 44 A Q > + 0 0 45 -2,-0.6 3,-1.8 -5,-0.2 -1,-0.1 0.303 50.5 105.5-103.1 5.3 38.9 47.3 37.5 39 45 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.1 -6,-0.1 0.718 81.4 46.8 -65.8 -22.2 35.6 48.8 36.6 40 46 A G T 3 S+ 0 0 44 -3,-0.2 -1,-0.3 -8,-0.2 -2,-0.1 0.310 82.1 114.1-100.1 7.1 34.5 45.7 34.6 41 47 A V S < S- 0 0 6 -3,-1.8 -11,-0.1 1,-0.1 -12,-0.1 -0.691 75.2-115.1 -81.1 126.8 35.5 43.0 37.2 42 48 A P - 0 0 8 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.377 22.0-147.0 -58.4 139.4 32.5 41.2 38.5 43 49 A V + 0 0 35 258,-0.1 258,-0.4 101,-0.1 2,-0.3 0.563 68.0 6.2 -94.4 -8.7 32.2 42.0 42.2 44 50 A D S > S- 0 0 0 -23,-0.1 4,-2.5 256,-0.1 5,-0.1 -0.935 84.4 -87.5-161.2 173.3 30.8 38.7 43.5 45 51 A E H > S+ 0 0 1 94,-0.5 4,-2.8 -25,-0.4 5,-0.3 0.865 121.2 60.4 -61.6 -36.9 29.8 35.1 42.6 46 52 A Y H > S+ 0 0 48 96,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.947 114.1 33.9 -53.8 -53.2 26.4 36.3 41.5 47 53 A H H > S+ 0 0 67 95,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.803 114.8 58.8 -78.3 -29.9 27.8 38.7 38.9 48 54 A W H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.967 111.4 40.5 -60.6 -52.8 30.8 36.4 38.0 49 55 A T H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 8,-0.2 0.847 115.6 52.5 -65.3 -35.3 28.5 33.5 37.0 50 56 A Q H < S+ 0 0 109 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.911 110.5 47.0 -65.5 -44.7 26.1 35.9 35.3 51 57 A T H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 118.0 41.7 -66.5 -37.5 28.9 37.4 33.2 52 58 A L H X S- 0 0 47 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.777 105.1-134.5 -81.1 -28.6 30.3 34.0 32.2 53 59 A G H X - 0 0 30 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.019 33.9 -69.9 80.4 163.1 27.0 32.3 31.5 54 60 A K H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.832 127.3 48.4 -61.5 -40.4 26.1 28.8 32.7 55 61 A E H > S+ 0 0 179 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 116.1 39.5 -70.7 -48.8 28.5 26.8 30.5 56 62 A A H X S+ 0 0 21 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.895 115.1 54.7 -67.4 -40.5 31.7 28.7 31.1 57 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -8,-0.2 5,-0.2 0.932 110.3 45.8 -57.9 -47.5 30.9 29.1 34.8 58 64 A L H X S+ 0 0 69 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.893 112.5 50.1 -67.3 -39.2 30.4 25.4 35.3 59 65 A R H X S+ 0 0 170 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.944 115.7 42.1 -61.5 -47.2 33.6 24.5 33.4 60 66 A I H X S+ 0 0 42 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.917 116.6 48.4 -69.5 -42.6 35.7 26.9 35.4 61 67 A L H X S+ 0 0 1 -4,-2.7 4,-3.5 -5,-0.3 5,-0.3 0.870 105.1 57.5 -68.1 -35.5 34.1 26.0 38.7 62 68 A Q H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.917 108.8 46.9 -61.0 -41.3 34.4 22.3 38.2 63 69 A K H X S+ 0 0 155 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.901 114.8 47.6 -64.3 -43.8 38.1 22.7 37.9 64 70 A H H >X S+ 0 0 15 -4,-1.9 4,-2.8 2,-0.2 3,-0.9 0.954 112.8 47.0 -59.9 -51.2 38.1 25.0 41.0 65 71 A W H 3< S+ 0 0 1 -4,-3.5 4,-0.5 1,-0.2 -2,-0.2 0.855 113.0 49.7 -60.9 -38.0 36.1 22.6 43.1 66 72 A S H 3< S+ 0 0 55 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.608 124.4 26.2 -79.1 -13.5 38.1 19.6 42.1 67 73 A T H << S+ 0 0 85 -3,-0.9 -2,-0.2 -4,-0.8 3,-0.2 0.645 101.4 73.3-120.7 -25.5 41.5 21.2 42.9 68 74 A W S < S+ 0 0 20 -4,-2.8 2,-0.4 1,-0.3 -3,-0.1 0.938 115.2 12.0 -65.1 -47.0 41.2 24.0 45.5 69 75 A I S S+ 0 0 3 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 -1.000 78.0 163.0-129.2 132.4 40.7 21.5 48.4 70 76 A T >> - 0 0 43 -2,-0.4 4,-1.1 -3,-0.2 3,-0.8 -0.765 56.7 -81.9-135.2-178.0 41.4 17.7 48.1 71 77 A E H 3> S+ 0 0 61 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.833 124.0 63.5 -55.9 -33.1 41.9 14.7 50.3 72 78 A Q H 3> S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 97.8 55.8 -64.4 -36.0 45.6 15.7 50.7 73 79 A D H <> S+ 0 0 10 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.900 106.0 50.9 -57.9 -45.0 44.5 19.0 52.4 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.876 109.0 51.0 -62.7 -41.7 42.6 17.0 55.0 75 81 A K H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.924 111.9 47.0 -56.3 -46.9 45.6 14.8 55.7 76 82 A Q H X S+ 0 0 54 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.877 109.3 54.5 -64.8 -41.1 47.8 17.9 56.1 77 83 A I H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 3,-0.3 0.947 112.1 43.5 -57.3 -50.2 45.2 19.5 58.4 78 84 A S H ><5S+ 0 0 44 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.919 111.0 55.2 -61.9 -45.0 45.2 16.4 60.7 79 85 A N H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 102.3 57.5 -57.7 -32.1 49.0 16.2 60.6 80 86 A L T 3<5S- 0 0 23 -4,-1.7 302,-0.4 -3,-0.3 -1,-0.3 0.466 123.7-104.8 -78.9 -2.9 49.2 19.8 61.8 81 87 A G T < 5S+ 0 0 45 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.643 73.1 142.4 90.0 13.9 47.3 18.8 64.9 82 88 A L < - 0 0 8 -5,-2.0 -1,-0.3 -6,-0.2 -71,-0.2 -0.608 30.6-172.1 -83.4 151.0 44.0 20.3 63.8 83 89 A N + 0 0 39 -73,-2.6 40,-2.2 -2,-0.2 2,-0.3 0.324 59.6 42.8-123.3 6.8 40.7 18.5 64.7 84 90 A F E -bc 11 123A 0 -74,-1.0 -72,-1.5 38,-0.3 2,-0.3 -0.999 49.7-163.2-160.8 144.4 38.0 20.4 62.9 85 91 A V E -bc 12 124A 0 38,-2.2 40,-1.7 -2,-0.3 2,-0.5 -0.990 13.6-146.7-131.7 146.3 37.0 22.2 59.7 86 92 A R E -bc 13 125A 0 -74,-1.6 -72,-2.5 -2,-0.3 40,-0.2 -0.951 17.3-155.3-106.1 129.8 34.2 24.7 59.1 87 93 A I E - c 0 126A 0 38,-2.8 40,-2.3 -2,-0.5 2,-0.2 -0.872 0.9-155.8-115.4 100.7 32.7 24.4 55.6 88 94 A P E + c 0 127A 5 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.533 20.2 169.4 -70.8 136.3 31.0 27.5 54.0 89 95 A I E - c 0 128A 0 38,-2.3 40,-2.8 -2,-0.2 41,-0.8 -0.994 26.2-127.4-144.3 146.2 28.3 26.8 51.3 90 96 A G E > - c 0 130A 1 -72,-0.4 3,-1.7 -2,-0.3 4,-0.2 -0.593 25.3-113.1 -93.0 160.4 25.8 29.0 49.6 91 97 A Y G >> S+ 0 0 6 39,-1.9 3,-2.2 1,-0.3 4,-2.0 0.805 110.1 71.8 -57.0 -33.6 22.0 28.4 49.3 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.657 80.7 71.8 -64.3 -16.9 22.4 28.0 45.5 93 99 A A G <4 S+ 0 0 7 -3,-1.7 12,-0.3 1,-0.1 14,-0.3 0.731 115.6 23.8 -62.9 -24.3 24.1 24.6 46.0 94 100 A F T <4 S+ 0 0 33 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.720 132.6 14.0-112.0 -37.0 20.7 23.4 47.0 95 101 A Q < - 0 0 110 -4,-2.0 2,-0.4 2,-0.0 -1,-0.3 -0.989 58.6-149.5-150.2 135.3 18.1 25.7 45.4 96 102 A L - 0 0 48 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.831 16.6-133.3-104.6 139.6 18.0 28.4 42.8 97 103 A L > - 0 0 54 -2,-0.4 3,-2.0 1,-0.1 2,-0.1 -0.459 49.3 -79.8 -72.2 161.4 15.7 31.4 42.7 98 104 A D T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.451 121.8 12.9 -61.5 135.6 14.0 32.0 39.3 99 105 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.0 0.564 88.1 153.0 70.4 7.3 16.6 33.8 37.1 100 106 A D < - 0 0 13 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.1 -0.491 37.9-151.3 -64.2 138.2 19.5 33.0 39.5 101 107 A P + 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.577 56.8 118.7 -83.9 -14.1 22.8 32.9 37.5 102 108 A Y - 0 0 2 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.114 55.2-140.6 -56.6 150.3 24.4 30.5 39.9 103 109 A V - 0 0 9 -46,-0.1 2,-0.2 -7,-0.0 3,-0.2 -0.772 13.9-139.6-107.9 155.5 25.6 27.0 38.9 104 110 A Q + 0 0 81 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.567 58.3 97.3-109.9 173.2 25.3 23.8 41.0 105 111 A G > + 0 0 25 -12,-0.3 4,-0.6 -2,-0.2 3,-0.5 0.302 50.5 110.7 129.3 -10.0 27.5 20.8 41.7 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.803 67.2 69.0 -66.9 -32.1 29.0 21.8 45.0 107 113 A V H 3> S+ 0 0 28 -14,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.869 91.6 60.0 -60.4 -38.4 27.1 19.1 46.9 108 114 A Q H 3> S+ 0 0 105 -3,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.911 111.7 40.2 -51.0 -44.9 29.1 16.3 45.2 109 115 A Y H S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 4,-0.3 0.916 109.7 48.3 -57.9 -48.3 36.9 14.2 57.3 118 124 A R H ><5S+ 0 0 106 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.932 109.9 52.3 -58.0 -45.5 35.8 10.8 58.6 119 125 A K H 3<5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 115.6 40.8 -64.1 -27.9 39.0 9.2 57.2 120 126 A N T 3<5S- 0 0 23 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.233 112.3-111.1-109.6 14.3 41.2 11.7 58.9 121 127 A N T < 5 + 0 0 117 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.883 68.7 145.0 58.7 43.8 39.4 12.0 62.3 122 128 A I < - 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0 0 14 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.2 -0.463 41.4-113.2 -72.7 143.4 40.7 56.5 56.1 315 321 A P - 0 0 90 0, 0.0 -6,-0.6 0, 0.0 2,-0.2 -0.514 37.2 -96.9 -72.0 149.3 43.9 58.2 57.1 316 322 A Y B +J 308 0C 138 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.475 47.3 164.2 -62.0 128.5 47.2 56.8 55.8 317 323 A I - 0 0 61 -10,-2.7 2,-0.3 1,-0.4 -9,-0.2 0.715 62.6 -28.7-111.2 -51.8 48.9 54.5 58.3 318 324 A G - 0 0 10 -11,-1.9 -1,-0.4 0, 0.0 2,-0.3 -0.987 67.8 -82.8-159.0 169.8 51.4 52.7 56.1 319 325 A S - 0 0 58 -2,-0.3 4,-0.2 1,-0.1 -25,-0.1 -0.549 26.3-157.2 -78.3 134.6 52.2 51.4 52.6 320 326 A b S >> S+ 0 0 5 -2,-0.3 3,-2.1 1,-0.1 4,-0.6 0.790 78.7 79.4 -78.9 -29.9 50.6 48.1 51.7 321 327 A Q G >4 S+ 0 0 128 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.884 92.2 49.4 -52.8 -48.0 53.1 47.1 49.0 322 328 A P G 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.646 110.7 52.7 -61.2 -20.7 55.8 46.0 51.4 323 329 A L G <4 S+ 0 0 20 -3,-2.1 -2,-0.2 -4,-0.2 6,-0.1 0.419 84.9 83.1 -97.2 -1.4 53.3 43.8 53.3 324 330 A L S << S+ 0 0 87 -3,-1.4 2,-0.5 -4,-0.6 -1,-0.1 0.733 91.5 51.0 -75.1 -20.8 51.9 41.8 50.2 325 331 A D S > S- 0 0 67 -4,-0.3 3,-2.5 -3,-0.2 4,-0.4 -0.965 71.2-151.0-125.4 117.8 54.8 39.3 50.3 326 332 A I G > S+ 0 0 16 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.810 97.3 64.1 -61.1 -28.2 55.7 37.6 53.6 327 333 A S G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.0 0.718 102.8 50.8 -65.7 -18.6 59.3 37.3 52.4 328 334 A Q G < S+ 0 0 111 -3,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 0.473 82.9 119.5 -97.1 -3.6 59.5 41.1 52.5 329 335 A W < - 0 0 10 -3,-1.2 -6,-0.1 -4,-0.4 -3,-0.0 -0.390 65.6-117.0 -64.4 138.6 58.1 41.6 56.0 330 336 A S > - 0 0 66 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.268 25.2-110.7 -63.0 158.7 60.3 43.4 58.6 331 337 A D H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.877 119.9 56.0 -57.7 -36.7 61.4 41.5 61.6 332 338 A E H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 106.2 48.6 -65.6 -39.8 59.1 43.7 63.7 333 339 A H H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 111.0 50.7 -70.2 -37.8 56.1 42.8 61.7 334 340 A K H X S+ 0 0 74 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 112.3 46.8 -61.0 -41.4 56.8 39.1 61.9 335 341 A T H X S+ 0 0 66 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 111.7 50.3 -69.7 -42.9 57.2 39.4 65.7 336 342 A D H X S+ 0 0 29 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.897 111.1 50.6 -59.4 -43.6 54.0 41.5 66.1 337 343 A T H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.929 109.9 48.4 -61.3 -48.1 52.1 38.8 64.0 338 344 A R H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.923 112.3 49.3 -60.4 -45.8 53.4 35.9 66.2 339 345 A R H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 112.4 48.5 -56.0 -44.2 52.4 37.8 69.4 340 346 A Y H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 110.7 49.5 -68.0 -43.9 49.0 38.5 68.0 341 347 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.933 112.4 47.8 -59.4 -47.3 48.4 34.9 66.9 342 348 A E H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.901 110.0 51.7 -65.2 -40.3 49.4 33.6 70.3 343 349 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.926 111.9 47.0 -59.9 -46.6 47.2 36.0 72.2 344 350 A Q H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.937 110.2 52.6 -60.6 -47.7 44.2 35.1 70.1 345 351 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.936 111.4 46.5 -55.4 -45.9 44.9 31.3 70.5 346 352 A D H X S+ 0 0 33 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.936 114.1 48.4 -63.3 -45.7 45.1 31.7 74.3 347 353 A A H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.894 115.4 43.4 -59.0 -44.7 41.8 33.8 74.4 348 354 A F H ><>S+ 0 0 6 -4,-2.9 5,-2.0 1,-0.2 3,-1.0 0.852 109.7 54.9 -78.5 -32.4 39.9 31.4 72.2 349 355 A E H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.691 92.7 74.6 -69.9 -16.8 41.1 28.2 74.0 350 356 A Y T 3<5S+ 0 0 42 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.753 114.2 16.1 -67.6 -26.7 39.8 29.8 77.2 351 357 A T T < 5S- 0 0 32 -3,-1.0 -68,-0.1 -4,-0.4 3,-0.1 0.052 132.3 -33.2-114.2-126.6 36.3 28.9 75.9 352 358 A G T 5S- 0 0 10 -70,-1.5 -343,-2.6 1,-0.2 2,-0.3 0.606 89.9-106.0 -78.9 -7.0 35.3 26.5 73.1 353 359 A G E < -a 9 0A 0 -5,-2.0 -69,-2.2 -345,-0.3 2,-0.3 -0.746 35.7 -79.9 113.4-165.0 38.3 26.9 70.7 354 360 A W E -ah 10 284A 0 -345,-2.5 -343,-2.4 -2,-0.3 2,-0.4 -0.953 11.3-155.9-148.0 155.0 39.0 28.5 67.4 355 361 A V E -a 11 0A 0 -71,-2.3 -68,-0.4 -2,-0.3 -343,-0.3 -0.928 26.7-141.4-140.4 102.5 38.6 28.2 63.6 356 362 A F E -a 12 0A 0 -345,-2.3 -343,-2.8 -2,-0.4 2,-0.7 -0.451 23.8-107.4 -70.5 137.5 41.2 30.2 61.6 357 363 A W S S+ 0 0 4 -70,-3.3 -68,-0.2 1,-0.2 -343,-0.1 -0.928 87.2 6.8-103.2 107.1 40.0 32.0 58.4 358 364 A S - 0 0 1 -2,-0.7 11,-2.7 -345,-0.3 -1,-0.2 0.679 42.2-155.8-139.9 177.7 41.3 30.4 56.2 359 365 A W S S- 0 0 1 -346,-2.3 11,-2.0 9,-0.2 2,-0.3 0.933 90.7 -2.5 -55.4 -44.9 43.2 27.2 55.4 360 366 A K - 0 0 40 -345,-0.2 2,-0.3 -347,-0.2 -1,-0.2 -0.986 52.6-174.7-153.4 151.5 44.6 28.7 52.1 361 367 A T - 0 0 12 -2,-0.3 -336,-0.2 1,-0.1 -337,-0.1 -0.914 37.5-116.6-135.5 162.6 44.6 31.8 49.8 362 368 A E S S- 0 0 72 -338,-2.3 -337,-0.1 -2,-0.3 -1,-0.1 0.957 100.2 -21.5 -63.4 -48.7 46.3 32.2 46.4 363 369 A N S S+ 0 0 102 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.075 102.0 108.7-157.5 30.4 48.6 35.0 47.7 364 370 A A > - 0 0 6 -340,-0.2 3,-1.2 1,-0.1 7,-0.1 -0.878 41.1-174.6-116.0 94.5 47.3 36.7 50.8 365 371 A P G > S+ 0 0 10 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.792 77.1 61.4 -65.3 -30.2 49.6 35.5 53.6 366 372 A E G 3 S+ 0 0 5 1,-0.3 -77,-1.4 5,-0.1 -76,-0.4 0.679 110.8 43.3 -64.2 -20.8 47.8 37.2 56.6 367 373 A W G < S+ 0 0 8 -3,-1.2 2,-0.6 -79,-0.1 -1,-0.3 0.151 95.8 90.9-114.5 10.8 44.7 35.0 55.7 368 374 A S <> - 0 0 0 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 -0.929 50.0-167.6-122.5 111.7 46.5 31.6 55.0 369 375 A F H > S+ 0 0 0 -11,-2.7 4,-2.2 -2,-0.6 5,-0.2 0.891 93.8 52.4 -55.9 -45.0 47.0 29.1 57.8 370 376 A Q H > S+ 0 0 31 -11,-2.0 4,-2.7 -12,-0.2 5,-0.2 0.945 110.7 45.1 -56.9 -53.3 49.4 27.2 55.5 371 377 A T H > S+ 0 0 39 -12,-0.2 4,-1.5 1,-0.2 6,-0.2 0.887 114.2 48.0 -60.7 -46.0 51.6 30.2 54.6 372 378 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 -7,-0.3 6,-1.4 0.875 113.7 48.5 -63.4 -39.7 51.8 31.4 58.2 373 379 A T H ><5S+ 0 0 14 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.944 110.7 49.0 -66.5 -47.5 52.7 27.8 59.4 374 380 A Y H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.5 51.3 -66.6 -24.2 55.4 27.3 56.8 375 381 A N T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.263 116.3-113.2 -96.9 11.0 56.9 30.6 57.6 376 382 A G T < 5S+ 0 0 41 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.624 88.3 109.6 74.7 14.8 57.1 29.9 61.4 377 383 A L < + 0 0 12 -5,-2.8 -4,-0.2 -6,-0.2 -36,-0.2 0.737 67.0 61.1 -94.7 -28.8 54.5 32.5 62.4 378 384 A F S S- 0 0 1 -6,-1.4 -2,-0.2 -9,-0.1 -1,-0.1 -0.917 102.5-105.0 -96.3 124.7 51.7 30.2 63.4 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.142 32.7-143.0 -50.9 135.8 52.8 28.0 66.3 380 386 A Q S S+ 0 0 79 1,-0.2 2,-0.2 2,-0.1 -299,-0.1 -0.939 98.1 35.6-143.0 115.0 53.6 24.4 65.3 381 387 A P S > S- 0 0 77 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.633 104.5-130.0 -62.2 160.5 52.7 22.5 67.3 382 388 A V T 3 S+ 0 0 8 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.649 104.6 61.5 -68.1 -13.3 49.8 24.8 67.9 383 389 A T T 3 S+ 0 0 82 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.1 0.566 78.7 113.4 -82.9 -12.7 50.5 24.7 71.7 384 390 A D < - 0 0 69 -3,-2.3 2,-0.4 2,-0.0 0, 0.0 -0.294 48.6-165.8 -61.6 139.6 54.0 26.3 71.2 385 391 A R + 0 0 50 1,-0.1 -46,-0.1 -6,-0.0 -2,-0.0 -0.974 29.7 172.6-136.3 121.3 54.5 29.8 72.7 386 392 A Q S S+ 0 0 111 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.567 95.6 38.5 -85.4 -17.9 57.2 32.2 72.1 387 393 A F S > S- 0 0 57 -49,-0.1 3,-0.6 -48,-0.1 -1,-0.2 -0.666 90.0-165.2-130.6 71.0 55.2 34.8 74.1 388 394 A P T 3 + 0 0 93 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.306 59.4 1.4 -68.3 143.8 53.7 32.8 76.9 389 395 A N T 3 + 0 0 117 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.855 65.5 158.0 56.3 49.1 50.9 34.1 79.0 390 396 A Q S < S+ 0 0 49 -3,-0.6 -1,-0.1 1,-0.2 -121,-0.1 0.777 76.7 40.3 -68.5 -25.3 50.2 37.5 77.5 391 397 A a S S- 0 0 20 -48,-0.1 -1,-0.2 -122,-0.1 -2,-0.0 0.718 91.8-138.0-102.4 -26.4 46.7 37.6 78.9 392 398 A G + 0 0 32 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.897 32.7 179.1 70.8 41.0 47.0 36.1 82.4 393 399 A F 0 0 43 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.375 360.0 360.0 -70.0 151.9 43.8 34.0 82.3 394 400 A H 0 0 193 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.477 360.0 360.0-141.8 360.0 43.0 31.9 85.4