==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-12 4HRX . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.BYTHELL-DOUGLAS,M.T.WATERS,A.SCAFFIDI,G.R.FLEMATTI,S.M.SMI . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0.4 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 0 0 0 1 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A V > 0 0 154 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.3 -1.2 -21.9 6.2 2 4 A V H > + 0 0 32 2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.916 360.0 54.3 -69.2 -39.8 -2.1 -18.1 6.3 3 5 A E H 4>S+ 0 0 115 1,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.890 114.5 40.7 -56.0 -48.9 -4.7 -18.9 9.1 4 6 A E H >45S+ 0 0 159 3,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.920 113.5 51.4 -66.7 -53.6 -2.0 -20.6 11.1 5 7 A A H 3<5S+ 0 0 18 -4,-2.5 51,-0.3 1,-0.3 -2,-0.2 0.792 118.7 36.6 -59.1 -35.6 0.8 -18.1 10.5 6 8 A H T 3<5S- 0 0 8 -4,-2.2 42,-3.1 -5,-0.1 -1,-0.3 0.185 106.0-120.5-105.6 14.7 -1.3 -15.1 11.5 7 9 A N T < 5 - 0 0 45 -3,-1.3 -3,-0.2 40,-0.2 -4,-0.1 0.842 43.0-166.2 48.8 40.9 -3.3 -16.7 14.4 8 10 A V < - 0 0 7 -5,-2.2 2,-0.4 -6,-0.3 39,-0.2 -0.372 9.6-169.2 -61.0 130.8 -6.5 -15.9 12.4 9 11 A K E -A 46 0A 99 37,-2.7 37,-2.4 -2,-0.1 2,-0.5 -0.980 8.2-164.4-124.6 134.8 -9.8 -16.3 14.4 10 12 A V E -A 45 0A 65 -2,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.995 10.5-179.5-120.7 115.6 -13.3 -16.2 12.9 11 13 A I E +A 44 0A 68 33,-2.9 33,-3.3 -2,-0.5 2,-0.1 -0.957 50.4 3.7-121.4 113.4 -16.1 -15.6 15.4 12 14 A G - 0 0 39 -2,-0.5 2,-0.2 31,-0.3 31,-0.2 -0.385 69.1-108.2 106.5 173.3 -19.7 -15.5 14.1 13 15 A S + 0 0 110 26,-0.2 3,-0.1 -2,-0.1 2,-0.0 -0.750 56.2 70.0-131.6 176.8 -21.5 -16.0 10.7 14 16 A G S S- 0 0 48 -2,-0.2 29,-0.2 1,-0.1 27,-0.0 -0.067 82.7 -73.7 98.0 164.2 -23.3 -13.9 8.1 15 17 A E S S+ 0 0 180 27,-0.1 2,-0.6 2,-0.1 71,-0.2 0.893 102.8 88.3 -61.0 -48.6 -22.4 -11.3 5.4 16 18 A A - 0 0 56 25,-0.1 27,-2.4 -3,-0.1 2,-0.3 -0.424 65.9-179.8 -62.8 104.1 -21.8 -8.4 7.8 17 19 A T E -b 43 0A 5 -2,-0.6 71,-2.1 69,-0.3 2,-0.4 -0.883 21.1-165.6-113.9 143.2 -18.1 -8.8 8.6 18 20 A I E -bc 44 88A 0 25,-2.7 27,-2.8 -2,-0.3 2,-0.5 -0.998 5.4-163.3-129.8 126.3 -15.7 -6.9 10.8 19 21 A V E -bc 45 89A 0 69,-2.9 71,-2.9 -2,-0.4 2,-0.5 -0.950 6.0-157.8-114.3 125.5 -11.9 -7.3 10.6 20 22 A L E -bc 46 90A 0 25,-2.8 27,-0.8 -2,-0.5 2,-0.4 -0.906 6.5-170.8-109.4 124.5 -9.7 -6.0 13.5 21 23 A G E - c 0 91A 0 69,-2.7 71,-2.4 -2,-0.5 2,-0.1 -0.955 14.3-142.7-115.6 130.2 -6.0 -5.2 12.9 22 24 A H - 0 0 3 25,-0.5 73,-0.2 -2,-0.4 6,-0.1 -0.467 12.6-117.7 -91.4 165.0 -3.7 -4.5 15.9 23 25 A G > - 0 0 0 4,-0.2 3,-1.3 1,-0.2 26,-0.2 -0.219 46.5 -59.7 -92.2-178.6 -0.8 -2.0 16.3 24 26 A F T 3 S+ 0 0 31 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.344 117.8 19.1 -61.0 139.0 3.0 -2.4 17.0 25 27 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.316 116.0 67.1 86.5 -9.7 3.9 -4.1 20.2 26 28 A T < - 0 0 5 -3,-1.3 -1,-0.3 149,-0.1 2,-0.2 -0.478 64.2-144.2-123.7-166.4 0.6 -5.9 20.8 27 29 A D > - 0 0 13 -2,-0.2 3,-2.0 -3,-0.1 -4,-0.2 -0.782 51.7 -62.1-147.4-169.2 -1.5 -8.6 19.2 28 30 A Q G > S+ 0 0 22 1,-0.3 3,-1.8 -2,-0.2 20,-0.0 0.662 118.6 79.2 -56.0 -20.6 -5.2 -9.4 18.6 29 31 A S G > S+ 0 0 27 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.696 73.3 78.3 -61.5 -20.3 -5.7 -9.5 22.5 30 32 A V G < S+ 0 0 0 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.726 90.0 57.5 -59.8 -21.7 -5.8 -5.6 22.3 31 33 A W G X> S+ 0 0 1 -3,-1.8 4,-2.6 1,-0.2 3,-0.9 0.377 70.2 111.8 -93.0 4.6 -9.4 -6.2 21.1 32 34 A K T <4 S+ 0 0 95 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.717 80.6 43.7 -51.2 -32.4 -10.7 -8.2 24.1 33 35 A H T 34 S+ 0 0 67 -3,-0.4 4,-0.3 214,-0.2 -1,-0.2 0.734 118.0 44.5 -88.4 -21.7 -13.1 -5.4 25.4 34 36 A L T X4 S+ 0 0 0 -3,-0.9 3,-1.7 -4,-0.1 4,-0.3 0.910 99.5 67.1 -83.7 -51.2 -14.5 -4.6 21.9 35 37 A V G >X S+ 0 0 20 -4,-2.6 3,-2.6 1,-0.3 4,-1.5 0.836 92.1 61.3 -43.8 -48.0 -15.1 -8.2 20.5 36 38 A P G 34 S+ 0 0 75 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.815 104.5 51.0 -51.1 -32.8 -17.9 -9.0 23.1 37 39 A H G <4 S+ 0 0 91 -3,-1.7 -2,-0.2 -4,-0.3 4,-0.1 0.460 113.4 43.9 -83.8 -4.4 -20.0 -6.1 21.6 38 40 A L T X> S+ 0 0 0 -3,-2.6 4,-1.7 -4,-0.3 3,-1.3 0.697 87.5 82.9-109.6 -30.6 -19.6 -7.2 18.0 39 41 A V T 3< S+ 0 0 47 -4,-1.5 -26,-0.2 1,-0.3 -2,-0.1 0.679 90.1 52.4 -54.2 -28.0 -20.1 -11.0 18.0 40 42 A D T 34 S+ 0 0 149 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.716 120.0 31.3 -81.6 -24.0 -24.0 -10.9 17.9 41 43 A D T <4 S+ 0 0 96 -3,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.518 120.9 35.4-110.2 -13.3 -24.2 -8.5 14.9 42 44 A Y S < S- 0 0 30 -4,-1.7 2,-0.6 -31,-0.1 -25,-0.2 -0.967 73.5-112.3-140.7 160.6 -21.1 -9.5 12.8 43 45 A R E - b 0 17A 49 -27,-2.4 -25,-2.7 -2,-0.3 2,-0.5 -0.820 47.9-148.7 -84.8 118.1 -18.7 -12.2 11.7 44 46 A V E -Ab 11 18A 0 -33,-3.3 -33,-2.9 -2,-0.6 2,-0.5 -0.877 12.9-163.9-102.6 130.3 -15.6 -11.0 13.6 45 47 A V E -Ab 10 19A 0 -27,-2.8 -25,-2.8 -2,-0.5 2,-0.4 -0.965 6.8-177.2-118.7 121.3 -12.1 -11.6 12.2 46 48 A L E +Ab 9 20A 17 -37,-2.4 -37,-2.7 -2,-0.5 2,-0.3 -0.919 9.8 164.0-113.2 143.7 -9.0 -11.3 14.4 47 49 A Y - 0 0 3 -27,-0.8 -25,-0.5 -2,-0.4 2,-0.4 -0.979 29.5-124.8-154.3 157.1 -5.4 -11.8 13.1 48 50 A D - 0 0 4 -42,-3.1 2,-0.2 -2,-0.3 -21,-0.1 -0.829 28.3-114.3-106.5 143.0 -1.9 -11.0 14.2 49 51 A N > - 0 0 16 -2,-0.4 3,-2.5 -26,-0.2 6,-0.2 -0.514 39.4-100.7 -71.3 142.1 0.7 -9.0 12.2 50 52 A M T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.429 115.5 37.3 -62.5 133.8 3.7 -10.9 11.0 51 53 A G T 3 S+ 0 0 8 1,-0.5 -1,-0.3 5,-0.1 129,-0.3 0.160 84.0 129.8 102.8 -15.7 6.4 -10.0 13.5 52 54 A A S X S- 0 0 7 -3,-2.5 3,-2.0 1,-0.1 -1,-0.5 -0.353 75.5-111.0 -64.8 153.2 4.1 -10.0 16.5 53 55 A G T 3 S+ 0 0 31 122,-0.4 -1,-0.1 1,-0.3 -26,-0.1 0.668 118.1 62.3 -61.6 -15.8 5.5 -12.1 19.3 54 56 A T T 3 S+ 0 0 54 -5,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.439 94.4 79.0 -86.3 -6.5 2.7 -14.6 18.7 55 57 A T S < S- 0 0 11 -3,-2.0 -49,-0.1 -6,-0.2 -50,-0.1 -0.730 94.8 -95.8-104.6 156.3 3.9 -15.3 15.2 56 58 A N > - 0 0 65 -51,-0.3 3,-1.6 -2,-0.3 4,-0.2 -0.580 26.0-145.5 -72.2 122.2 6.9 -17.5 14.1 57 59 A P G > S+ 0 0 47 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.756 95.1 69.9 -61.9 -24.4 10.1 -15.4 13.7 58 60 A D G 3 S+ 0 0 134 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.772 95.2 56.7 -63.3 -23.2 11.2 -17.6 10.8 59 61 A Y G < S+ 0 0 131 -3,-1.6 2,-1.1 -54,-0.1 -1,-0.3 0.465 78.5 108.1 -84.4 -5.5 8.3 -16.1 8.7 60 62 A F < - 0 0 13 -3,-1.8 2,-0.8 -4,-0.2 3,-0.1 -0.639 54.6-165.4 -79.8 102.9 9.6 -12.5 9.3 61 63 A D > - 0 0 83 -2,-1.1 4,-2.2 1,-0.2 5,-0.1 -0.793 9.0-156.8 -91.3 109.4 10.9 -11.5 5.9 62 64 A F T 4 S+ 0 0 87 -2,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.873 92.7 44.4 -54.8 -41.4 13.0 -8.4 6.3 63 65 A D T >4 S+ 0 0 133 2,-0.2 3,-1.4 1,-0.2 4,-0.3 0.918 111.7 51.9 -71.7 -44.6 12.5 -7.3 2.7 64 66 A R T 34 S+ 0 0 96 1,-0.3 3,-0.5 2,-0.1 6,-0.4 0.872 116.7 41.0 -57.6 -38.9 8.8 -8.0 2.5 65 67 A Y T 3< S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.228 84.0 98.7 -98.8 17.4 8.2 -5.9 5.7 66 68 A S S < S+ 0 0 69 -3,-1.4 2,-0.3 -5,-0.1 -1,-0.2 0.696 93.5 33.5 -72.9 -23.9 10.7 -3.0 4.8 67 69 A N S > S- 0 0 84 -3,-0.5 3,-1.6 -4,-0.3 4,-0.4 -0.917 92.2-113.5-127.6 155.1 7.6 -1.1 3.6 68 70 A L T 3> S+ 0 0 4 -2,-0.3 4,-1.5 1,-0.3 3,-0.4 0.626 105.5 82.5 -63.8 -14.0 4.0 -1.1 5.1 69 71 A E H 3> S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.765 81.3 62.4 -60.6 -32.3 2.9 -2.7 1.7 70 72 A G H <> S+ 0 0 2 -3,-1.6 4,-2.1 -6,-0.4 -1,-0.2 0.913 104.9 46.0 -60.4 -44.3 4.0 -6.1 3.0 71 73 A Y H > S+ 0 0 11 -3,-0.4 4,-2.1 -4,-0.4 -2,-0.2 0.885 110.6 53.8 -67.1 -38.4 1.5 -5.9 5.8 72 74 A S H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.909 107.3 51.2 -62.1 -41.8 -1.2 -4.7 3.3 73 75 A F H X S+ 0 0 92 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 109.2 51.3 -61.5 -44.0 -0.5 -7.8 1.1 74 76 A D H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.880 109.3 50.1 -57.5 -46.3 -0.9 -10.0 4.2 75 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.947 111.2 47.0 -58.0 -52.9 -4.3 -8.4 5.0 76 78 A I H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.903 111.0 54.8 -55.2 -41.4 -5.7 -8.9 1.5 77 79 A A H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 108.6 46.8 -60.6 -39.9 -4.4 -12.5 1.6 78 80 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 -3,-0.3 -1,-0.2 0.905 112.7 49.9 -70.5 -40.2 -6.3 -13.2 4.9 79 81 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.926 113.7 45.3 -64.5 -42.6 -9.5 -11.6 3.3 80 82 A E H ><5S+ 0 0 105 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.888 110.6 53.4 -68.8 -36.4 -9.1 -13.7 0.2 81 83 A D H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.2 46.5 -65.8 -34.5 -8.4 -16.9 2.2 82 84 A L T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.416 111.8-121.3 -88.9 0.4 -11.6 -16.3 4.2 83 85 A K T < 5 + 0 0 177 -3,-1.1 2,-0.6 -4,-0.3 -3,-0.2 0.810 50.4 169.2 60.3 36.5 -13.7 -15.6 1.0 84 86 A I < - 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.705 18.6-179.4 -82.0 114.0 -14.6 -12.1 2.4 85 87 A E S S+ 0 0 174 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.788 71.3 4.4 -82.4 -31.5 -16.2 -10.0 -0.3 86 88 A S + 0 0 54 -71,-0.2 -69,-0.3 -7,-0.1 2,-0.3 -0.985 68.4 172.2-155.5 145.9 -16.6 -6.9 1.9 87 89 A C E - d 0 110A 2 22,-1.2 24,-2.3 -2,-0.3 25,-0.9 -0.992 36.4-121.7-152.3 159.2 -15.7 -5.8 5.4 88 90 A I E -cd 18 112A 18 -71,-2.1 -69,-2.9 -2,-0.3 2,-0.5 -0.874 39.3-153.8 -91.1 125.4 -15.6 -3.0 8.0 89 91 A F E -cd 19 113A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.6 -0.951 10.2-163.8-110.5 127.0 -11.9 -2.8 8.9 90 92 A V E -cd 20 114A 0 -71,-2.9 -69,-2.7 -2,-0.5 2,-0.5 -0.964 12.4-168.7-108.7 116.3 -10.9 -1.4 12.3 91 93 A G E -cd 21 115A 0 23,-2.6 25,-2.4 -2,-0.6 2,-0.5 -0.940 8.6-157.0-116.5 120.5 -7.2 -0.5 12.4 92 94 A H E > - d 0 116A 1 -71,-2.4 3,-1.9 -2,-0.5 25,-0.2 -0.836 60.8 -45.4 -97.9 130.4 -5.3 0.3 15.5 93 95 A S T >> S+ 0 0 7 23,-3.7 3,-2.1 -2,-0.5 4,-0.6 -0.282 137.1 10.8 51.2-121.4 -2.2 2.4 15.2 94 96 A V H >> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.821 123.3 66.8 -53.7 -36.6 -0.1 1.0 12.2 95 97 A S H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.740 90.6 63.7 -58.4 -24.6 -3.0 -1.2 11.1 96 98 A A H <> S+ 0 0 0 -3,-2.1 4,-1.8 20,-0.2 -1,-0.2 0.926 108.4 40.4 -65.8 -40.8 -4.9 1.9 10.2 97 99 A M H X S+ 0 0 14 -4,-2.8 4,-1.5 1,-0.2 3,-0.6 0.903 111.7 49.8 -60.4 -42.8 -2.9 0.8 1.8 102 104 A A H 3X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.888 107.3 55.2 -63.0 -40.0 -4.9 -2.4 1.3 103 105 A S H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.682 102.9 57.0 -66.6 -22.8 -8.0 -0.2 0.4 104 106 A L H << S+ 0 0 54 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.940 116.4 34.0 -72.0 -47.3 -5.9 1.5 -2.4 105 107 A N H < S+ 0 0 83 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.832 137.5 23.1 -73.2 -38.6 -5.1 -1.9 -4.0 106 108 A R >< + 0 0 62 -4,-3.1 3,-1.7 -5,-0.2 4,-0.4 -0.493 60.9 159.0-132.4 67.9 -8.5 -3.4 -3.2 107 109 A P G > S+ 0 0 58 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.819 76.2 67.9 -57.7 -30.0 -11.3 -0.7 -2.6 108 110 A D G 3 S+ 0 0 91 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.745 93.3 58.3 -57.2 -30.5 -13.9 -3.5 -3.3 109 111 A L G < S+ 0 0 4 -3,-1.7 -22,-1.2 -7,-0.2 2,-0.4 0.614 101.4 60.6 -80.5 -12.8 -12.9 -5.3 -0.0 110 112 A F E < +d 87 0A 8 -3,-1.3 -22,-0.2 -4,-0.4 3,-0.1 -0.972 42.3 175.9-124.9 127.8 -13.7 -2.4 2.4 111 113 A S E S- 0 0 63 -24,-2.3 2,-0.3 -2,-0.4 -23,-0.2 0.630 82.4 -7.2 -95.9 -20.6 -17.0 -0.6 3.0 112 114 A K E -d 88 0A 3 -25,-0.9 -23,-2.7 93,-0.1 2,-0.4 -0.932 56.4-140.8-170.6 151.0 -15.3 1.5 5.8 113 115 A I E -de 89 207A 0 93,-2.5 95,-2.8 -2,-0.3 2,-0.6 -0.986 11.1-163.2-117.5 123.7 -12.1 1.9 7.8 114 116 A V E -de 90 208A 0 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.4 -0.946 16.9-158.2-105.0 112.8 -12.4 2.8 11.5 115 117 A M E -de 91 209A 0 93,-3.7 95,-2.3 -2,-0.6 2,-0.4 -0.776 11.7-172.0 -95.9 143.0 -8.9 4.1 12.6 116 118 A I E S-de 92 210A 0 -25,-2.4 -23,-3.7 -2,-0.4 95,-0.2 -0.984 76.5 -10.2-134.8 118.2 -7.8 4.1 16.3 117 119 A S S S+ 0 0 0 93,-1.9 94,-0.1 -2,-0.4 2,-0.1 0.789 92.7 170.7 62.3 34.4 -4.5 5.9 17.2 118 120 A A + 0 0 4 92,-0.5 -1,-0.2 -27,-0.1 -24,-0.1 -0.434 14.9 172.4 -75.6 147.9 -3.6 6.3 13.4 119 121 A S - 0 0 1 -26,-0.2 3,-0.1 -2,-0.1 -22,-0.1 -0.915 25.4-162.8-154.1 129.8 -0.7 8.4 12.0 120 122 A P S S+ 0 0 0 0, 0.0 76,-3.4 0, 0.0 77,-0.6 0.540 89.1 15.8 -85.9 -7.7 0.6 8.8 8.4 121 123 A R - 0 0 43 74,-0.2 74,-0.1 75,-0.2 71,-0.1 -0.837 51.3-177.3-167.6 124.5 3.9 10.3 9.7 122 124 A Y + 0 0 7 72,-0.5 10,-1.9 70,-0.4 2,-0.3 0.695 64.3 90.3 -95.3 -28.8 5.5 10.4 13.1 123 125 A V B S-g 132 0B 9 71,-0.3 10,-0.2 69,-0.3 2,-0.2 -0.575 73.3-132.3 -76.1 129.2 8.6 12.5 12.2 124 126 A N - 0 0 36 8,-3.0 2,-0.3 -2,-0.3 10,-0.2 -0.499 23.4-179.3 -78.4 150.6 8.2 16.3 12.5 125 127 A D B > -H 128 0C 74 3,-2.0 3,-1.7 -2,-0.2 5,-0.1 -0.829 52.2 -86.1-133.5 170.0 9.3 18.7 9.7 126 128 A V T 3 S+ 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.707 130.2 31.1 -56.5 -17.6 9.1 22.5 9.8 127 129 A D T 3 S+ 0 0 152 1,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.197 114.0 63.9-123.5 13.7 5.4 22.4 8.6 128 130 A Y B < -H 125 0C 15 -3,-1.7 -3,-2.0 97,-0.0 2,-0.8 -0.941 60.4-155.6-144.4 121.7 4.2 19.0 10.0 129 131 A Q + 0 0 136 -2,-0.4 -5,-0.1 -5,-0.2 -6,-0.1 -0.865 27.4 156.3 -97.8 105.4 3.8 18.0 13.7 130 132 A G - 0 0 0 -2,-0.8 -1,-0.2 -8,-0.2 -7,-0.1 0.529 61.7-109.3 -99.5 -17.1 4.0 14.2 13.9 131 133 A G S S+ 0 0 37 -3,-0.1 2,-0.4 87,-0.1 -8,-0.2 0.181 87.4 79.9 108.3 -13.5 5.1 14.2 17.5 132 134 A F B -g 123 0B 27 -10,-1.9 -8,-3.0 85,-0.1 2,-0.3 -0.986 60.3-147.6-133.7 137.8 8.7 13.1 17.1 133 135 A E >> - 0 0 91 -2,-0.4 4,-1.6 -10,-0.2 3,-0.9 -0.728 32.6-119.4 -93.8 145.6 12.0 14.8 16.2 134 136 A Q H 3> S+ 0 0 59 -2,-0.3 4,-2.6 -10,-0.2 5,-0.1 0.838 112.4 60.3 -54.0 -37.8 14.5 12.5 14.3 135 137 A E H 3> S+ 0 0 120 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.822 105.5 48.1 -59.6 -37.2 17.1 12.9 17.1 136 138 A D H <> S+ 0 0 88 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.906 109.9 50.7 -73.5 -40.8 14.6 11.4 19.7 137 139 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.917 107.1 55.9 -60.8 -41.6 13.8 8.4 17.4 138 140 A N H X S+ 0 0 85 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.898 110.8 44.1 -56.5 -41.2 17.6 7.8 17.0 139 141 A Q H X S+ 0 0 137 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.796 111.0 54.5 -72.0 -32.4 17.8 7.6 20.9 140 142 A L H X S+ 0 0 30 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.935 110.2 46.1 -66.7 -47.2 14.6 5.4 21.0 141 143 A F H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 110.8 52.0 -62.0 -44.6 16.2 2.8 18.5 142 144 A E H X S+ 0 0 101 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.834 109.4 50.7 -62.7 -34.2 19.5 2.8 20.4 143 145 A A H X S+ 0 0 41 -4,-1.5 4,-1.8 2,-0.2 8,-0.3 0.878 109.7 49.8 -70.6 -38.2 17.6 2.1 23.7 144 146 A I H < S+ 0 0 4 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.902 116.1 43.7 -64.2 -43.0 15.7 -0.9 22.0 145 147 A R H < S+ 0 0 147 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.927 112.0 53.2 -67.9 -47.7 19.1 -2.2 20.7 146 148 A S H < S- 0 0 83 -4,-2.8 2,-0.2 1,-0.2 -2,-0.2 0.863 133.4 -9.6 -56.7 -50.7 21.0 -1.6 24.1 147 149 A N X - 0 0 88 -4,-1.8 4,-1.8 -5,-0.1 -1,-0.2 -0.736 58.9-170.8-157.3 102.9 18.6 -3.6 26.4 148 150 A Y H > S+ 0 0 12 -3,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.902 87.7 53.0 -65.1 -41.9 15.2 -4.7 25.0 149 151 A K H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 111.7 44.3 -58.1 -51.8 13.9 -5.8 28.4 150 152 A A H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.821 112.7 53.7 -63.5 -35.7 14.6 -2.4 30.1 151 153 A W H X S+ 0 0 20 -4,-1.8 4,-3.4 -8,-0.3 5,-0.2 0.959 108.2 48.8 -64.9 -50.8 13.2 -0.6 27.1 152 154 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.879 112.4 48.5 -52.0 -46.9 9.9 -2.5 27.2 153 155 A L H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.9 40.7 -66.0 -36.2 9.5 -1.8 31.0 154 156 A G H X S+ 0 0 41 -4,-1.8 4,-0.7 -3,-0.2 -2,-0.2 0.873 119.1 44.5 -77.3 -41.9 10.2 1.9 30.5 155 157 A F H X S+ 0 0 23 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.801 99.8 67.4 -75.1 -37.0 8.2 2.3 27.2 156 158 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.907 101.6 45.1 -58.3 -44.5 5.0 0.4 28.2 157 159 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.889 115.3 49.5 -66.8 -35.0 3.7 2.8 30.9 158 160 A L H < S+ 0 0 113 -4,-0.7 58,-0.3 2,-0.2 -2,-0.2 0.896 116.1 41.3 -66.1 -44.8 4.4 5.8 28.6 159 161 A A H < S+ 0 0 5 -4,-2.5 85,-2.6 1,-0.2 86,-0.3 0.857 119.8 42.5 -73.3 -40.8 2.6 4.3 25.6 160 162 A V H < S- 0 0 0 -4,-2.5 85,-0.2 -5,-0.2 -2,-0.2 0.867 95.0-163.7 -74.5 -36.5 -0.4 2.9 27.5 161 163 A G < + 0 0 9 -4,-2.2 -1,-0.1 -5,-0.3 -2,-0.1 -0.329 45.8 71.3 79.3-167.6 -0.8 6.0 29.7 162 164 A G S S+ 0 0 59 -4,-0.1 2,-0.2 -2,-0.1 -1,-0.2 -0.148 100.1 3.2 58.6-152.4 -2.9 6.1 32.9 163 165 A D > - 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0 0 100 -129,-0.3 4,-2.5 -2,-0.1 3,-0.9 -0.562 33.9-120.9 -68.4 128.2 12.2 -11.1 19.1 181 183 A P H 3> S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.815 109.6 46.9 -44.5 -39.0 14.6 -8.2 19.9 182 184 A D H 3> S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.817 113.9 47.0 -74.5 -34.1 15.8 -7.8 16.3 183 185 A I H <> S+ 0 0 4 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.958 111.0 52.3 -71.0 -49.7 12.3 -7.9 14.8 184 186 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 113.1 44.9 -50.5 -46.9 11.0 -5.4 17.3 185 187 A L H X S+ 0 0 36 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.872 115.1 46.8 -63.1 -48.4 13.9 -3.0 16.4 186 188 A S H X S+ 0 0 30 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.909 115.3 45.3 -63.7 -45.0 13.5 -3.4 12.7 187 189 A V H X S+ 0 0 9 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.904 110.5 55.1 -65.8 -40.5 9.7 -3.0 12.8 188 190 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.905 110.8 44.5 -58.6 -45.5 10.0 0.0 15.1 189 191 A Q H X S+ 0 0 80 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 112.4 52.6 -65.3 -45.2 12.3 1.8 12.6 190 192 A T H < S+ 0 0 30 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.919 116.5 37.8 -56.4 -50.7 10.1 0.9 9.6 191 193 A I H >< S+ 0 0 11 -4,-2.6 3,-1.3 1,-0.2 -69,-0.2 0.942 116.9 49.4 -68.6 -50.2 6.9 2.3 11.3 192 194 A F H 3< S+ 0 0 19 -4,-2.4 -70,-0.4 1,-0.3 -69,-0.3 0.739 116.6 43.0 -63.2 -25.9 8.5 5.4 12.9 193 195 A Q T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.387 92.1 119.1 -98.7 -1.0 10.2 6.4 9.7 194 196 A S < - 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