==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-12 3W06 . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.KAGIYAMA,Y.HIRANO,T.MORI,S.Y.KIM,J.KYOZUKA,Y.SETO,S.YAMAGU . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 0 0 1 0 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 2 A G > 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 149.9 -18.7 -29.7 -17.5 2 3 A V H > + 0 0 122 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 360.0 44.8 -55.5 -52.4 -15.1 -28.4 -17.7 3 4 A V H > S+ 0 0 48 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.944 116.3 45.0 -60.4 -47.8 -16.0 -24.7 -17.8 4 5 A E H 4>S+ 0 0 23 1,-0.2 5,-2.6 2,-0.2 4,-0.2 0.886 113.9 49.1 -74.6 -33.6 -18.5 -24.9 -15.1 5 6 A E H ><5S+ 0 0 117 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.936 109.9 53.0 -60.4 -45.8 -16.3 -27.1 -12.8 6 7 A A H 3<5S+ 0 0 11 -4,-2.6 51,-0.3 1,-0.3 -2,-0.2 0.783 116.3 37.9 -66.4 -29.8 -13.4 -24.7 -13.3 7 8 A H T 3<5S- 0 0 11 -4,-1.6 42,-3.0 -5,-0.2 -1,-0.3 0.219 107.0-121.4-103.4 12.5 -15.4 -21.6 -12.3 8 9 A N T < 5 - 0 0 34 -3,-1.5 -3,-0.2 -4,-0.2 -4,-0.1 0.884 42.2-167.3 52.3 43.3 -17.4 -23.4 -9.5 9 10 A V < - 0 0 20 -5,-2.6 2,-0.4 -6,-0.2 39,-0.2 -0.377 10.7-173.1 -68.0 139.6 -20.6 -22.5 -11.3 10 11 A K E -A 47 0A 100 37,-2.3 37,-2.8 -3,-0.1 2,-0.5 -1.000 5.5-165.3-136.0 129.7 -23.8 -23.0 -9.3 11 12 A V E -A 46 0A 64 -2,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.982 2.4-169.8-118.8 124.3 -27.3 -22.6 -10.9 12 13 A I E -A 45 0A 71 33,-2.7 33,-2.6 -2,-0.5 2,-0.1 -0.963 55.5 -10.3-121.5 116.2 -30.3 -22.3 -8.6 13 14 A G S S- 0 0 52 -2,-0.5 2,-0.3 31,-0.2 31,-0.1 -0.302 70.1-111.3 91.8-176.7 -33.8 -22.5 -10.2 14 15 A S + 0 0 105 -2,-0.1 3,-0.1 29,-0.0 2,-0.1 -0.833 52.5 79.8-143.7 179.2 -34.9 -22.4 -13.8 15 16 A G S S- 0 0 42 -2,-0.3 29,-0.2 1,-0.2 28,-0.0 -0.257 80.7 -68.3 102.3 171.2 -36.8 -20.4 -16.3 16 17 A E S S+ 0 0 93 -2,-0.1 2,-0.5 27,-0.1 71,-0.2 0.894 104.5 84.4 -72.1 -44.6 -36.2 -17.4 -18.6 17 18 A A + 0 0 54 -3,-0.1 27,-2.7 25,-0.1 2,-0.4 -0.492 66.8 172.7 -68.7 116.4 -35.8 -14.7 -16.0 18 19 A T E -b 44 0A 5 -2,-0.5 71,-2.4 25,-0.2 2,-0.4 -0.970 25.2-167.3-134.4 136.9 -32.1 -15.1 -15.1 19 20 A I E -bc 45 89A 0 25,-2.1 27,-2.7 -2,-0.4 2,-0.4 -0.996 7.4-164.5-124.0 134.4 -29.6 -13.2 -12.9 20 21 A V E -bc 46 90A 0 69,-2.7 71,-2.7 -2,-0.4 2,-0.5 -0.959 7.1-157.1-119.9 131.4 -25.9 -13.8 -13.1 21 22 A L E -bc 47 91A 0 25,-2.4 27,-0.9 -2,-0.4 2,-0.4 -0.950 6.3-169.4-120.4 125.4 -23.6 -12.5 -10.3 22 23 A G E -bc 48 92A 0 69,-2.8 71,-2.9 -2,-0.5 74,-0.1 -0.920 13.9-143.0-116.8 132.3 -19.9 -11.8 -10.7 23 24 A H - 0 0 3 25,-0.5 73,-0.2 -2,-0.4 6,-0.1 -0.399 12.3-116.6 -93.4 170.0 -17.6 -11.1 -7.8 24 25 A G > - 0 0 0 4,-0.2 3,-1.5 1,-0.2 70,-0.1 -0.272 47.3 -55.5 -97.6-177.9 -14.6 -8.7 -7.3 25 26 A F T 3 S+ 0 0 30 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.276 117.4 14.2 -57.4 135.3 -10.9 -9.1 -6.5 26 27 A G T 3 S+ 0 0 5 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.305 115.9 70.0 86.6 -8.9 -10.0 -11.0 -3.4 27 28 A T < - 0 0 5 -3,-1.5 -1,-0.3 149,-0.1 2,-0.2 -0.426 64.5-144.8-120.1-164.8 -13.4 -12.6 -2.8 28 29 A D > - 0 0 14 -2,-0.2 3,-2.5 -3,-0.1 -4,-0.2 -0.816 51.3 -61.9-148.5-168.3 -15.5 -15.3 -4.5 29 30 A Q G > S+ 0 0 32 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.696 118.5 79.6 -60.8 -17.7 -19.2 -16.0 -5.1 30 31 A S G > S+ 0 0 30 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.695 72.8 79.9 -61.6 -14.3 -19.8 -16.2 -1.3 31 32 A V G < S+ 0 0 0 -3,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.753 89.0 56.3 -60.1 -23.0 -19.8 -12.3 -1.4 32 33 A W G X> S+ 0 0 2 -3,-1.8 4,-2.5 1,-0.2 3,-1.6 0.276 70.9 114.4 -90.7 5.3 -23.4 -12.6 -2.6 33 34 A K T <4 S+ 0 0 87 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.749 78.9 44.1 -57.0 -28.3 -24.6 -14.7 0.3 34 35 A H T 34 S+ 0 0 75 -3,-0.4 -1,-0.3 214,-0.3 4,-0.2 0.605 116.7 47.2 -91.6 -10.4 -27.0 -12.0 1.7 35 36 A L T X4 S+ 0 0 0 -3,-1.6 3,-1.8 2,-0.1 4,-0.3 0.862 98.4 64.7 -91.5 -45.5 -28.4 -11.2 -1.7 36 37 A V G >X S+ 0 0 20 -4,-2.5 3,-2.2 1,-0.3 4,-1.7 0.831 91.1 64.1 -53.9 -38.3 -29.1 -14.6 -3.2 37 38 A P G 34 S+ 0 0 75 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.820 104.8 48.4 -56.3 -30.1 -31.8 -15.5 -0.7 38 39 A H G <4 S+ 0 0 90 -3,-1.8 -2,-0.2 -4,-0.2 4,-0.1 0.411 112.6 48.3 -88.2 -2.7 -33.9 -12.6 -2.0 39 40 A L T X> S+ 0 0 0 -3,-2.2 4,-1.8 -4,-0.3 3,-1.3 0.660 88.0 78.1-105.1 -28.2 -33.5 -13.6 -5.7 40 41 A V T 3< S+ 0 0 52 -4,-1.7 -2,-0.1 1,-0.3 5,-0.1 0.762 88.6 58.0 -66.7 -22.2 -34.2 -17.3 -5.8 41 42 A D T 34 S+ 0 0 144 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.780 120.6 27.3 -68.3 -30.8 -38.0 -16.9 -5.7 42 43 A D T <4 S+ 0 0 93 -3,-1.3 2,-0.3 1,-0.1 -2,-0.2 0.583 120.8 37.0-111.9 -16.0 -38.1 -14.8 -8.8 43 44 A Y S < S- 0 0 38 -4,-1.8 2,-0.7 -31,-0.1 -25,-0.2 -0.966 72.6-113.2-141.1 152.6 -35.0 -15.7 -10.9 44 45 A R E - b 0 18A 49 -27,-2.7 -25,-2.1 -2,-0.3 2,-0.4 -0.837 48.1-147.4 -80.6 116.5 -32.8 -18.5 -12.0 45 46 A V E -Ab 12 19A 0 -33,-2.6 -33,-2.7 -2,-0.7 2,-0.5 -0.752 14.6-164.5-101.4 128.8 -29.6 -17.5 -10.2 46 47 A V E -Ab 11 20A 0 -27,-2.7 -25,-2.4 -2,-0.4 2,-0.4 -0.972 7.0-177.3-116.8 121.2 -26.2 -18.1 -11.6 47 48 A L E +Ab 10 21A 17 -37,-2.8 -37,-2.3 -2,-0.5 2,-0.3 -0.926 9.7 163.3-113.2 143.4 -23.0 -17.8 -9.4 48 49 A Y E - b 0 22A 4 -27,-0.9 -25,-0.5 -2,-0.4 2,-0.4 -0.987 30.0-124.5-153.9 160.3 -19.5 -18.3 -10.6 49 50 A D - 0 0 4 -42,-3.0 2,-0.2 -2,-0.3 -21,-0.1 -0.853 28.6-115.6-106.6 143.8 -15.9 -17.6 -9.5 50 51 A N > - 0 0 17 -2,-0.4 3,-2.2 -26,-0.1 6,-0.1 -0.454 40.5 -97.4 -70.2 143.8 -13.4 -15.6 -11.5 51 52 A M T 3 S+ 0 0 8 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.439 114.1 36.7 -61.4 136.4 -10.4 -17.5 -12.6 52 53 A G T 3 S+ 0 0 7 1,-0.4 129,-0.3 5,-0.1 -1,-0.3 0.180 82.5 129.5 99.2 -15.6 -7.6 -16.8 -10.1 53 54 A A S X S- 0 0 8 -3,-2.2 3,-2.3 1,-0.1 -1,-0.4 -0.377 75.3-110.5 -59.9 153.9 -9.9 -16.7 -7.1 54 55 A G T 3 S+ 0 0 24 122,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.725 117.8 63.2 -64.7 -18.3 -8.5 -18.9 -4.3 55 56 A T T 3 S+ 0 0 55 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.433 95.7 78.5 -79.7 -2.2 -11.4 -21.3 -4.9 56 57 A T S < S- 0 0 13 -3,-2.3 -49,-0.1 -6,-0.1 -50,-0.1 -0.699 94.3 -95.3-110.5 162.2 -10.1 -22.0 -8.4 57 58 A N > - 0 0 62 -51,-0.3 3,-2.1 -2,-0.2 4,-0.3 -0.610 25.3-147.6 -79.0 118.3 -7.3 -24.2 -9.6 58 59 A P G > S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.771 94.4 70.6 -60.8 -21.8 -4.1 -22.1 -10.0 59 60 A D G 3 S+ 0 0 132 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.728 95.7 54.6 -64.5 -19.0 -3.0 -24.3 -12.9 60 61 A Y G < S+ 0 0 109 -3,-2.1 2,-1.3 -54,-0.1 -1,-0.3 0.454 78.8 106.6 -91.0 -6.1 -5.8 -22.8 -15.0 61 62 A F < - 0 0 12 -3,-1.6 2,-0.8 -4,-0.3 3,-0.1 -0.650 54.3-167.5 -81.1 101.1 -4.6 -19.2 -14.4 62 63 A D > - 0 0 82 -2,-1.3 4,-2.2 1,-0.2 5,-0.2 -0.749 8.4-158.2 -91.4 105.8 -3.2 -18.3 -17.7 63 64 A F T 4 S+ 0 0 77 -2,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.892 91.1 49.1 -57.1 -40.5 -1.2 -15.1 -17.2 64 65 A D T >4 S+ 0 0 137 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.940 110.5 50.6 -65.8 -43.5 -1.4 -14.0 -20.9 65 66 A R G >4 S+ 0 0 98 1,-0.2 3,-0.6 2,-0.1 6,-0.5 0.899 116.9 40.4 -59.3 -40.9 -5.2 -14.6 -21.1 66 67 A Y G 3< S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.336 83.7 96.5 -99.7 14.6 -5.8 -12.6 -18.0 67 68 A S G < S+ 0 0 80 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.632 92.7 41.4 -74.8 -13.4 -3.4 -9.8 -18.7 68 69 A N S X> S- 0 0 84 -3,-0.6 3,-1.7 -4,-0.3 4,-0.5 -0.961 90.2-121.3-125.7 147.4 -6.4 -7.9 -20.1 69 70 A L H >> S+ 0 0 10 -2,-0.3 4,-1.8 1,-0.3 3,-0.7 0.750 105.5 80.7 -62.5 -18.9 -9.9 -7.8 -18.6 70 71 A E H 3> S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.845 82.0 62.3 -53.5 -34.8 -11.0 -9.2 -22.0 71 72 A G H <> S+ 0 0 3 -3,-1.7 4,-1.6 -6,-0.5 -1,-0.2 0.897 105.8 44.5 -59.7 -42.7 -9.9 -12.7 -20.7 72 73 A Y H S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.2 0.931 114.3 45.6 -60.7 -46.1 -23.5 -18.0 -20.4 81 82 A E H ><5S+ 0 0 104 -4,-3.1 3,-1.3 1,-0.2 -2,-0.2 0.906 111.0 53.6 -63.4 -42.3 -23.2 -19.9 -23.7 82 83 A D H 3<5S+ 0 0 76 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.860 111.9 45.0 -56.0 -40.2 -22.5 -23.2 -21.8 83 84 A L T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.379 111.9-121.8 -87.6 -1.0 -25.7 -22.7 -19.7 84 85 A K T < 5 + 0 0 167 -3,-1.3 2,-0.6 -4,-0.2 -3,-0.2 0.830 52.7 163.7 60.5 38.1 -27.7 -21.8 -22.8 85 86 A I < - 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.748 20.0-179.4 -89.6 120.9 -28.6 -18.4 -21.3 86 87 A E + 0 0 163 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.675 69.9 8.8 -94.8 -16.3 -29.9 -16.0 -24.0 87 88 A S + 0 0 59 -71,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.942 67.9 166.0-158.8 140.6 -30.5 -13.0 -21.7 88 89 A C E - d 0 111A 2 22,-1.7 24,-2.7 -2,-0.3 25,-0.8 -0.974 39.2-116.5-147.0 160.7 -29.7 -12.1 -18.2 89 90 A I E -cd 19 113A 16 -71,-2.4 -69,-2.7 -2,-0.3 2,-0.5 -0.889 39.6-151.5 -83.8 129.3 -29.5 -9.3 -15.6 90 91 A F E -cd 20 114A 0 23,-2.5 25,-2.9 -2,-0.5 2,-0.6 -0.946 11.5-165.1-108.7 128.4 -25.8 -9.2 -14.7 91 92 A V E -cd 21 115A 0 -71,-2.7 -69,-2.8 -2,-0.5 2,-0.6 -0.960 12.6-169.6-111.2 114.9 -24.7 -7.9 -11.3 92 93 A G E -cd 22 116A 0 23,-2.6 25,-2.5 -2,-0.6 2,-0.5 -0.937 9.5-155.9-116.2 118.9 -21.0 -7.1 -11.2 93 94 A H E > - d 0 117A 1 -71,-2.9 3,-2.2 -2,-0.6 25,-0.2 -0.788 61.3 -45.2 -87.7 127.5 -19.1 -6.4 -8.1 94 95 A S T >> S+ 0 0 7 23,-3.2 3,-2.2 -2,-0.5 4,-0.7 -0.261 136.9 10.9 56.0-125.2 -15.9 -4.3 -8.4 95 96 A V H >> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.805 123.0 67.8 -56.7 -31.0 -13.8 -5.6 -11.4 96 97 A S H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.780 89.6 63.7 -62.1 -23.2 -16.8 -7.7 -12.5 97 98 A A H <> S+ 0 0 0 -3,-2.2 4,-2.0 20,-0.2 -1,-0.2 0.929 109.1 40.0 -59.7 -48.2 -18.7 -4.5 -13.3 98 99 A M H X S+ 0 0 19 -4,-2.6 4,-1.4 1,-0.2 3,-1.2 0.941 111.0 51.8 -59.1 -47.0 -16.7 -5.5 -21.9 103 104 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-0.3 0.898 106.3 56.0 -56.2 -38.7 -18.7 -8.7 -22.4 104 105 A S H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.663 99.6 59.3 -70.9 -18.2 -21.7 -6.5 -23.3 105 106 A L H << S+ 0 0 56 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.881 115.0 35.6 -71.0 -41.5 -19.7 -4.7 -26.1 106 107 A N H < S+ 0 0 93 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.855 138.9 16.4 -75.9 -39.7 -19.2 -8.1 -27.8 107 108 A R >< + 0 0 76 -4,-2.6 3,-1.8 -5,-0.2 4,-0.3 -0.533 63.5 159.7-137.1 67.4 -22.6 -9.6 -26.9 108 109 A P G > S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.824 73.0 71.2 -64.7 -25.1 -25.0 -6.9 -25.9 109 110 A D G 3 S+ 0 0 89 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.730 89.1 61.4 -60.0 -22.2 -27.8 -9.3 -26.7 110 111 A L G < S+ 0 0 4 -3,-1.8 -22,-1.7 -7,-0.1 2,-0.4 0.584 100.2 61.4 -81.7 -9.2 -26.9 -11.4 -23.7 111 112 A F E < +d 88 0A 8 -3,-1.8 -22,-0.2 -4,-0.3 3,-0.1 -0.969 44.2 176.4-125.7 129.5 -27.6 -8.6 -21.2 112 113 A S E S- 0 0 61 -24,-2.7 2,-0.3 -2,-0.4 -23,-0.2 0.693 81.1 -1.2 -94.3 -22.2 -30.8 -6.8 -20.4 113 114 A K E -d 89 0A 5 -25,-0.8 -23,-2.5 93,-0.1 2,-0.5 -0.955 58.0-146.1-163.0 145.8 -29.3 -4.7 -17.5 114 115 A I E -de 90 208A 0 93,-2.3 95,-2.7 -2,-0.3 2,-0.6 -0.995 11.2-163.7-118.3 124.7 -26.0 -4.4 -15.7 115 116 A V E -de 91 209A 0 -25,-2.9 -23,-2.6 -2,-0.5 2,-0.4 -0.951 12.9-160.9-105.9 114.3 -26.1 -3.6 -12.0 116 117 A M E -de 92 210A 0 93,-3.5 95,-2.4 -2,-0.6 2,-0.5 -0.810 9.9-171.4 -97.5 137.9 -22.7 -2.4 -10.8 117 118 A I E S-de 93 211A 0 -25,-2.5 -23,-3.2 -2,-0.4 95,-0.2 -0.993 76.3 -9.8-128.7 124.4 -21.6 -2.4 -7.2 118 119 A S S S+ 0 0 0 93,-2.2 2,-0.2 -2,-0.5 94,-0.1 0.823 92.4 167.5 62.9 38.6 -18.3 -0.6 -6.3 119 120 A A + 0 0 4 92,-0.5 -1,-0.2 -27,-0.1 108,-0.1 -0.507 16.5 175.4 -86.1 154.0 -17.3 -0.2 -10.0 120 121 A S - 0 0 1 -26,-0.2 3,-0.1 -2,-0.2 -22,-0.1 -0.965 24.9-160.2-152.9 136.2 -14.5 1.9 -11.4 121 122 A P S S+ 0 0 0 0, 0.0 76,-3.2 0, 0.0 77,-0.7 0.512 88.5 14.2 -87.4 -5.9 -13.2 2.3 -15.0 122 123 A R - 0 0 45 74,-0.2 74,-0.1 75,-0.2 71,-0.1 -0.811 51.2-175.6-171.3 123.9 -9.9 3.8 -13.7 123 124 A Y + 0 0 6 72,-0.5 10,-1.8 70,-0.4 2,-0.3 0.693 64.0 88.8 -95.4 -28.5 -8.2 3.9 -10.3 124 125 A V B S-g 133 0B 12 71,-0.3 10,-0.2 69,-0.2 2,-0.1 -0.613 74.2-130.3 -81.0 133.6 -5.1 6.0 -11.2 125 126 A N + 0 0 20 8,-2.9 2,-0.3 -2,-0.3 10,-0.2 -0.457 25.9 178.8 -74.2 146.2 -5.5 9.8 -10.9 126 127 A D B > -H 129 0C 62 3,-2.5 3,-1.7 -2,-0.1 5,-0.0 -0.840 50.5 -86.0-132.4-179.2 -4.4 12.2 -13.6 127 128 A V T 3 S+ 0 0 158 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.757 129.2 31.1 -60.5 -20.6 -4.6 15.9 -13.8 128 129 A D T 3 S+ 0 0 149 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.147 117.2 55.5-122.7 20.2 -8.2 15.8 -15.0 129 130 A Y B < -H 126 0C 15 -3,-1.7 -3,-2.5 97,-0.0 2,-0.7 -0.932 59.3-153.4-155.3 127.4 -9.5 12.6 -13.4 130 131 A Q + 0 0 106 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.908 26.1 156.7-105.0 114.7 -9.8 11.3 -9.8 131 132 A G - 0 0 0 -2,-0.7 -1,-0.1 -8,-0.3 -7,-0.1 0.514 63.3-103.6-105.4 -15.6 -9.8 7.6 -9.5 132 133 A G S S+ 0 0 33 1,-0.1 2,-0.4 87,-0.1 -8,-0.2 0.267 88.2 77.6 116.0 -12.3 -8.5 7.4 -5.9 133 134 A F B -g 124 0B 31 -10,-1.8 -8,-2.9 85,-0.1 2,-0.3 -0.993 58.2-147.6-139.2 135.7 -4.8 6.4 -6.3 134 135 A E >> - 0 0 85 -2,-0.4 4,-1.8 -10,-0.2 3,-0.9 -0.730 35.8-115.9 -88.5 152.6 -1.5 8.0 -7.3 135 136 A Q H 3> S+ 0 0 57 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.864 113.0 59.9 -57.1 -37.6 0.8 5.6 -9.0 136 137 A E H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.847 104.7 48.5 -62.6 -31.2 3.4 5.8 -6.2 137 138 A D H <> S+ 0 0 88 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.876 109.7 51.9 -81.5 -30.2 0.9 4.5 -3.7 138 139 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.936 107.5 53.9 -62.2 -41.7 -0.0 1.6 -6.1 139 140 A N H X S+ 0 0 81 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.907 109.5 47.2 -57.6 -42.4 3.7 0.9 -6.3 140 141 A Q H X S+ 0 0 127 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.901 109.2 54.9 -65.7 -38.7 3.9 0.7 -2.5 141 142 A L H X S+ 0 0 26 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.953 110.0 45.9 -55.6 -51.1 0.8 -1.6 -2.5 142 143 A F H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.892 110.0 53.6 -65.0 -38.5 2.4 -4.0 -4.9 143 144 A E H X S+ 0 0 101 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.891 107.9 51.5 -62.6 -38.4 5.7 -4.0 -3.0 144 145 A A H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 8,-0.3 0.918 109.3 48.9 -63.7 -43.5 3.8 -4.9 0.2 145 146 A I H < S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 114.4 48.2 -57.8 -45.3 2.1 -7.8 -1.5 146 147 A R H < S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.762 112.4 46.8 -65.1 -33.4 5.5 -8.9 -2.8 147 148 A S H < S- 0 0 86 -4,-1.9 -1,-0.2 1,-0.2 2,-0.2 0.841 132.9 -3.7 -88.1 -34.3 7.3 -8.6 0.6 148 149 A N X - 0 0 87 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 -0.656 59.3-170.8-161.9 98.5 4.9 -10.4 2.9 149 150 A Y H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 86.6 49.0 -68.3 -42.3 1.6 -11.7 1.5 150 151 A K H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 112.5 48.7 -59.7 -48.5 -0.0 -12.6 4.9 151 152 A A H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 111.6 50.3 -59.3 -40.3 0.9 -9.3 6.5 152 153 A W H X S+ 0 0 24 -4,-2.3 4,-2.7 -8,-0.3 5,-0.3 0.943 110.1 49.5 -64.5 -44.7 -0.5 -7.5 3.4 153 154 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.916 109.9 51.2 -59.1 -42.8 -3.8 -9.4 3.6 154 155 A L H < S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.6 40.1 -66.1 -34.7 -4.2 -8.7 7.3 155 156 A G H X S+ 0 0 42 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.786 117.2 47.6 -82.9 -31.1 -3.7 -5.0 6.8 156 157 A F H X S+ 0 0 27 -4,-2.7 4,-2.7 -5,-0.2 3,-0.3 0.878 99.1 66.3 -80.8 -37.2 -5.7 -4.6 3.5 157 158 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.911 101.5 46.2 -55.3 -46.6 -8.8 -6.5 4.5 158 159 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.868 114.6 49.5 -66.7 -33.8 -10.0 -4.1 7.2 159 160 A L H < S+ 0 0 108 -4,-0.7 58,-0.4 -3,-0.3 -2,-0.2 0.918 114.8 43.7 -66.8 -44.5 -9.3 -1.1 4.8 160 161 A A H < S+ 0 0 3 -4,-2.7 85,-2.9 1,-0.2 86,-0.3 0.906 120.6 39.3 -66.7 -46.2 -11.2 -2.7 1.9 161 162 A V H < S- 0 0 1 -4,-2.6 85,-0.2 -5,-0.3 -2,-0.2 0.843 92.4-165.2 -77.1 -31.7 -14.2 -3.9 4.0 162 163 A G < + 0 0 12 -4,-2.0 -1,-0.1 -5,-0.3 8,-0.1 -0.284 44.7 80.4 69.6-168.1 -14.5 -0.9 6.2 163 164 A G S S- 0 0 55 -4,-0.1 2,-0.2 3,-0.1 -1,-0.2 -0.156 98.7 -3.9 65.7-161.8 -16.5 -0.9 9.4 164 165 A D > - 0 0 107 1,-0.1 3,-2.0 -3,-0.1 6,-0.3 -0.402 66.1-135.0 -65.2 134.7 -15.2 -2.4 12.6 165 166 A M T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 -6,-0.1 0.685 102.7 51.3 -68.7 -14.0 -11.7 -4.0 12.0 166 167 A D T 3 S+ 0 0 118 4,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.223 83.6 129.5-102.9 12.2 -12.7 -7.1 14.0 167 168 A S S <> S- 0 0 33 -3,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.199 70.8-114.7 -69.7 163.5 -15.9 -7.9 12.1 168 169 A I H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 117.2 53.6 -60.0 -40.5 -16.9 -11.2 10.7 169 170 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 107.0 50.6 -66.3 -39.2 -16.8 -9.7 7.1 170 171 A V H > S+ 0 0 9 -6,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.941 112.2 48.0 -61.4 -45.2 -13.3 -8.4 7.6 171 172 A Q H X S+ 0 0 116 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.914 111.6 50.3 -59.5 -41.8 -12.3 -11.9 8.8 172 173 A E H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.922 113.2 44.3 -62.8 -46.5 -14.0 -13.5 5.8 173 174 A F H X S+ 0 0 5 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.880 109.5 56.7 -69.0 -35.7 -12.3 -11.2 3.3 174 175 A S H X S+ 0 0 22 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.898 110.5 46.3 -54.8 -43.6 -9.0 -11.7 5.1 175 176 A R H X S+ 0 0 141 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.909 112.7 46.7 -72.0 -46.3 -9.3 -15.4 4.5 176 177 A T H X S+ 0 0 8 -4,-2.4 4,-0.6 1,-0.2 -122,-0.3 0.902 111.6 52.7 -67.2 -34.2 -10.4 -15.3 0.9 177 178 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.952 110.7 47.0 -59.6 -49.5 -7.6 -12.8 0.1 178 179 A F H 3< S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.716 99.6 69.3 -70.0 -18.3 -5.0 -15.2 1.7 179 180 A N H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.689 81.1 92.6 -73.5 -18.4 -6.5 -18.1 -0.2 180 181 A M S << S- 0 0 10 -3,-1.4 -127,-0.1 -4,-0.6 -126,-0.1 -0.433 93.1-103.6 -66.6 154.9 -5.2 -16.8 -3.5 181 182 A R >> - 0 0 99 -129,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.636 34.9-124.4 -72.4 133.5 -1.7 -17.9 -4.7 182 183 A P H 3> S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 107.4 50.7 -59.6 -37.3 0.5 -14.9 -3.9 183 184 A D H 3> S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.862 112.2 47.7 -66.4 -35.3 1.9 -14.5 -7.5 184 185 A I H <> S+ 0 0 3 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.931 110.4 52.0 -68.7 -45.0 -1.7 -14.6 -8.9 185 186 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.924 112.4 46.3 -54.0 -47.1 -2.8 -12.0 -6.3 186 187 A L H X S+ 0 0 28 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.941 114.7 46.2 -61.9 -47.3 0.0 -9.7 -7.3 187 188 A S H X S+ 0 0 30 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 116.4 43.5 -62.5 -49.6 -0.5 -10.1 -11.0 188 189 A V H X S+ 0 0 12 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.908 110.7 55.2 -67.4 -39.9 -4.3 -9.6 -10.9 189 190 A G H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.921 111.2 46.0 -57.8 -43.1 -4.0 -6.7 -8.4 190 191 A Q H X S+ 0 0 67 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.940 111.4 50.6 -65.7 -45.0 -1.7 -5.0 -10.9 191 192 A T H < S+ 0 0 29 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.931 116.8 40.8 -58.8 -45.3 -3.9 -5.7 -13.9 192 193 A I H >< S+ 0 0 11 -4,-2.9 3,-1.6 1,-0.2 -69,-0.2 0.968 116.2 46.4 -69.1 -50.9 -7.0 -4.4 -12.2 193 194 A F H 3< S+ 0 0 18 -4,-2.8 -70,-0.4 -5,-0.3 -69,-0.2 0.760 117.2 45.0 -69.2 -20.9 -5.5 -1.3 -10.5 194 195 A Q T 3< S+ 0 0 65 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.377 90.9 118.1 -97.3 1.4 -3.6 -0.3 -13.7 195 196 A S < - 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