==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-FEB-13 4JCS . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS; . AUTHOR S.ESWARAMOORTHY,S.CHAMALA,B.CHAMALA,F.FOTI,A.GIZZI,B.HILLERI . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.9 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 . 2 0.8 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 . 1 0.4 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 2 1 0 1 2 0 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 F 0 0 111 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 109.1 38.9 8.7 78.9 2 -1 A Q E -A 9 0A 91 7,-2.8 7,-2.9 2,-0.0 2,-0.6 -0.986 360.0-153.2-128.8 124.3 39.2 5.4 80.7 3 0 A S E -A 8 0A 96 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.868 22.7-178.8 -98.2 117.0 39.5 1.9 79.1 4 1 A X - 0 0 18 3,-2.7 17,-0.0 -2,-0.6 32,-0.0 -0.498 42.3 -95.4-108.4 177.5 38.3 -0.9 81.4 5 2 A D S S+ 0 0 141 1,-0.2 28,-0.1 -2,-0.2 3,-0.1 0.805 120.6 17.6 -63.8 -32.2 38.0 -4.6 81.0 6 3 A T S S+ 0 0 2 1,-0.3 15,-1.8 26,-0.2 16,-0.3 0.459 129.9 20.0-123.1 -8.0 34.4 -4.7 79.8 7 4 A L E - B 0 20A 0 13,-0.3 -3,-2.7 14,-0.2 2,-0.4 -0.990 59.8-130.9-156.8 157.7 33.7 -1.1 78.7 8 5 A D E -AB 3 19A 62 11,-2.5 11,-2.9 -2,-0.3 2,-0.5 -0.964 23.9-157.0-109.2 133.3 35.3 2.2 77.6 9 6 A F E +AB 2 18A 2 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.954 16.5 170.0-116.2 126.8 34.2 5.3 79.3 10 7 A E E - B 0 17A 80 7,-2.0 7,-3.4 -2,-0.5 2,-0.6 -0.998 22.6-151.0-137.4 129.9 34.5 8.8 77.7 11 8 A V E + B 0 16A 50 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.912 25.7 165.7-102.9 117.7 33.1 12.2 78.6 12 9 A V E > - B 0 15A 52 3,-2.4 3,-1.4 -2,-0.6 -2,-0.1 -0.992 68.5 -11.0-134.2 125.0 32.6 14.4 75.6 13 10 A N T 3 S- 0 0 101 -2,-0.4 -1,-0.1 1,-0.3 189,-0.1 0.894 128.9 -54.1 51.8 46.1 30.5 17.7 75.7 14 11 A N T 3 S+ 0 0 67 1,-0.2 37,-1.6 37,-0.1 38,-1.4 0.572 113.8 120.3 67.2 14.4 29.1 16.8 79.2 15 12 A V E < -Bc 12 52A 0 -3,-1.4 -3,-2.4 36,-0.2 2,-0.8 -0.945 57.6-144.0-111.1 123.8 27.9 13.4 77.9 16 13 A G E -Bc 11 53A 0 36,-3.3 38,-2.8 -2,-0.5 2,-0.7 -0.793 16.1-158.0 -85.2 109.8 29.2 10.2 79.5 17 14 A W E -Bc 10 54A 2 -7,-3.4 -7,-2.0 -2,-0.8 2,-0.7 -0.826 6.0-166.8 -92.7 117.1 29.6 7.5 76.8 18 15 A I E -Bc 9 55A 6 36,-3.3 38,-3.0 -2,-0.7 2,-0.7 -0.905 8.5-177.2-102.6 107.5 29.6 4.0 78.1 19 16 A R E -Bc 8 56A 50 -11,-2.9 -11,-2.5 -2,-0.7 38,-0.3 -0.875 20.0-142.6-112.1 100.0 30.8 1.8 75.2 20 17 A X E -Bc 7 57A 1 36,-2.9 38,-1.2 -2,-0.7 -13,-0.3 -0.388 15.2-160.2 -60.1 137.2 30.8 -1.9 76.2 21 18 A N + 0 0 51 -15,-1.8 -14,-0.2 36,-0.2 -1,-0.1 -0.061 64.5 80.7-125.9 31.6 33.9 -3.4 74.5 22 19 A R > > + 0 0 43 -16,-0.3 5,-2.4 1,-0.1 3,-0.8 -0.446 45.6 154.6-129.3 58.1 33.5 -7.2 74.2 23 20 A A G > 5 + 0 0 24 1,-0.2 3,-1.0 3,-0.2 39,-0.1 0.825 69.2 56.7 -57.9 -38.6 31.3 -7.4 71.1 24 21 A A G 3 5S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.827 111.2 43.6 -64.5 -32.7 32.4 -10.9 70.1 25 22 A K G < 5S- 0 0 150 -3,-0.8 -1,-0.3 3,-0.0 -2,-0.2 0.415 116.5-117.3 -88.6 -1.6 31.3 -12.3 73.5 26 23 A H T < 5 - 0 0 75 -3,-1.0 38,-3.0 -4,-0.4 -3,-0.2 0.776 52.5 -82.3 63.6 32.4 28.1 -10.2 73.2 27 24 A N < - 0 0 0 -5,-2.4 -1,-0.2 36,-0.2 -4,-0.1 0.892 60.0-145.7 45.2 60.2 29.1 -8.2 76.3 28 25 A P - 0 0 20 0, 0.0 2,-1.6 0, 0.0 5,-0.3 -0.227 14.5-117.1 -61.1 142.3 27.8 -10.8 78.8 29 26 A F + 0 0 29 35,-0.5 2,-0.2 4,-0.1 84,-0.1 -0.621 62.6 143.1 -80.7 87.0 26.3 -9.4 82.0 30 27 A D > - 0 0 27 -2,-1.6 4,-2.6 1,-0.0 3,-0.2 -0.593 69.6 -84.9-117.5 178.0 28.8 -10.9 84.4 31 28 A A H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.819 126.7 55.3 -52.7 -34.4 30.5 -9.8 87.7 32 29 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 109.8 42.7 -69.3 -45.4 33.2 -8.0 85.6 33 30 A L H > S+ 0 0 0 -5,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.905 113.6 53.3 -66.7 -42.1 30.7 -5.9 83.6 34 31 A R H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 110.1 47.8 -57.1 -46.5 28.7 -5.1 86.8 35 32 A A H X S+ 0 0 54 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.887 112.8 47.8 -64.0 -41.8 31.9 -3.9 88.6 36 33 A D H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.880 112.3 49.2 -67.1 -38.9 32.9 -1.7 85.6 37 34 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.877 109.3 52.9 -66.9 -37.3 29.3 -0.3 85.4 38 35 A X H X S+ 0 0 51 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.881 106.9 52.7 -63.2 -39.5 29.4 0.4 89.2 39 36 A T H X S+ 0 0 69 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.896 110.1 48.5 -60.5 -44.2 32.7 2.3 88.7 40 37 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.939 110.4 50.5 -61.2 -47.8 31.1 4.4 86.0 41 38 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.893 109.5 51.1 -61.7 -39.3 28.1 5.1 88.2 42 39 A E H X S+ 0 0 82 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.860 110.8 48.1 -64.9 -37.3 30.3 6.2 91.1 43 40 A R H X S+ 0 0 92 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.881 111.2 51.8 -68.6 -37.1 32.2 8.6 88.8 44 41 A V H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 6,-0.3 0.917 108.0 51.6 -64.1 -44.5 28.9 9.9 87.5 45 42 A R H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.1 48.6 -58.2 -41.9 27.7 10.6 91.1 46 43 A D H 3< S+ 0 0 125 -4,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.546 109.7 57.7 -79.3 -8.7 30.8 12.5 92.1 47 44 A D X< - 0 0 57 -3,-0.9 3,-1.7 -4,-0.6 -1,-0.2 -0.856 54.4-176.6-132.4 99.1 30.7 14.7 88.9 48 45 A A T 3 S+ 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.654 82.2 72.8 -64.0 -17.9 27.6 16.8 88.2 49 46 A D T 3 S+ 0 0 103 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 0.590 74.6 83.3 -77.3 -11.9 29.2 17.9 84.9 50 47 A I < + 0 0 0 -3,-1.7 -35,-0.2 -6,-0.3 -1,-0.1 -0.776 63.2 168.0 -86.5 89.4 28.5 14.4 83.5 51 48 A R + 0 0 61 -37,-1.6 2,-0.3 -2,-1.3 -36,-0.2 0.767 52.9 21.4 -82.4 -32.1 25.0 15.5 82.7 52 49 A V E -c 15 0A 0 -38,-1.4 -36,-3.3 48,-0.2 2,-0.4 -0.973 65.5-146.4-140.3 146.9 23.7 12.7 80.4 53 50 A L E -cd 16 102A 1 48,-2.6 50,-3.0 -2,-0.3 2,-0.5 -0.940 2.7-161.6-116.0 142.8 24.8 9.0 79.9 54 51 A V E -cd 17 103A 0 -38,-2.8 -36,-3.3 -2,-0.4 2,-0.6 -0.993 8.3-159.8-117.9 125.9 24.7 7.0 76.7 55 52 A L E +cd 18 104A 4 48,-3.2 50,-2.6 -2,-0.5 2,-0.2 -0.939 35.2 129.7-106.7 118.4 24.9 3.2 77.2 56 53 A T E -c 19 0A 10 -38,-3.0 -36,-2.9 -2,-0.6 2,-0.3 -0.793 38.8-135.2-153.0-169.8 26.0 1.4 74.0 57 54 A S E -c 20 0A 6 48,-0.3 -36,-0.2 -38,-0.3 3,-0.1 -0.888 45.0 -69.3-146.3 168.4 28.4 -1.1 72.5 58 55 A H S > S- 0 0 130 -38,-1.2 3,-1.4 -2,-0.3 49,-0.1 -0.508 80.8 -80.0 -58.7 140.5 30.7 -1.7 69.6 59 56 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.072 115.8 34.5 -55.4 146.3 28.2 -2.0 66.6 60 57 A G T 3 S+ 0 0 25 47,-1.0 2,-0.3 1,-0.3 48,-0.1 0.243 112.2 64.2 95.5 -12.8 26.5 -5.4 66.0 61 58 A S < + 0 0 7 -3,-1.4 46,-0.6 47,-0.2 -1,-0.3 -0.896 41.2 162.3-131.9 163.1 26.2 -6.2 69.7 62 59 A F - 0 0 0 47,-0.6 2,-0.3 -2,-0.3 48,-0.2 0.104 68.9 -39.6-134.6 -86.0 24.5 -4.8 72.8 63 60 A C B g 110 0B 0 46,-1.8 48,-1.8 45,-0.1 51,-0.3 -0.843 360.0 360.0-153.9 110.9 24.2 -7.2 75.8 64 61 A A 0 0 46 -38,-3.0 -35,-0.5 -2,-0.3 49,-0.1 -0.426 360.0 360.0-156.1 360.0 23.4 -10.9 75.5 65 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 66 64 A N > 0 0 81 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 23.9 28.0 -16.8 81.8 67 65 A L H > + 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.694 360.0 64.6 -73.0 -23.0 26.5 -20.4 81.9 68 66 A H H > S+ 0 0 147 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.903 101.2 49.2 -67.6 -41.4 29.6 -21.8 83.6 69 67 A V H > S+ 0 0 63 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.820 113.1 49.0 -67.3 -31.7 29.0 -19.7 86.8 70 68 A L H >< S+ 0 0 51 -4,-1.0 3,-0.9 2,-0.2 4,-0.3 0.937 111.8 48.1 -67.4 -48.8 25.4 -20.9 86.7 71 69 A R H >< S+ 0 0 163 -4,-2.7 3,-1.3 1,-0.2 4,-0.2 0.918 109.4 52.9 -57.0 -48.1 26.5 -24.6 86.3 72 70 A D H 3< S+ 0 0 107 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.678 116.6 39.9 -61.4 -20.0 29.0 -24.3 89.2 73 71 A N T X< S+ 0 0 28 -3,-0.9 3,-1.5 -4,-0.5 4,-0.3 0.210 75.8 115.1-119.1 14.8 26.3 -22.9 91.5 74 72 A L T < S+ 0 0 119 -3,-1.3 3,-0.2 1,-0.3 -1,-0.1 0.810 91.8 28.5 -54.8 -36.6 23.3 -25.1 90.5 75 73 A D T 3 S+ 0 0 162 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.089 83.2 113.4-116.0 21.7 23.1 -26.8 93.9 76 74 A S S < S- 0 0 55 -3,-1.5 4,-0.4 1,-0.2 -1,-0.1 0.693 78.2-124.7 -66.8 -20.4 24.6 -23.9 96.1 77 75 A G > - 0 0 24 -4,-0.3 4,-2.1 -3,-0.2 5,-0.2 -0.044 20.7 -67.0 100.8 165.1 21.1 -23.6 97.7 78 76 A P H > S+ 0 0 116 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.847 124.2 53.5 -59.4 -43.4 18.3 -21.1 98.4 79 77 A A H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.921 111.8 46.9 -60.7 -44.9 20.2 -18.8 100.9 80 78 A Y H > S+ 0 0 77 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.932 115.2 44.4 -59.1 -51.2 23.0 -18.4 98.3 81 79 A W H X S+ 0 0 66 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.841 108.2 57.0 -69.6 -33.5 20.7 -17.7 95.4 82 80 A Q H X S+ 0 0 112 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.903 113.2 42.5 -61.8 -39.8 18.5 -15.3 97.4 83 81 A Q H X S+ 0 0 104 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.865 111.8 52.3 -73.7 -39.9 21.7 -13.2 98.1 84 82 A R H X S+ 0 0 78 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.864 108.4 51.6 -67.0 -36.5 23.1 -13.4 94.6 85 83 A I H X S+ 0 0 66 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.907 107.2 54.3 -63.1 -41.8 19.8 -12.2 93.2 86 84 A K H X S+ 0 0 98 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.838 104.1 54.8 -60.1 -36.3 20.0 -9.3 95.6 87 85 A T H X S+ 0 0 42 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.939 110.9 45.0 -62.7 -47.6 23.5 -8.4 94.3 88 86 A G H X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.2 3,-0.4 0.913 112.8 51.6 -59.5 -44.1 22.1 -8.2 90.8 89 87 A L H X S+ 0 0 66 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.800 98.9 63.5 -70.2 -28.1 19.1 -6.2 92.1 90 88 A R H X S+ 0 0 125 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.916 105.3 48.4 -56.6 -42.0 21.4 -3.7 93.9 91 89 A F H X S+ 0 0 6 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.924 111.7 46.6 -64.1 -47.8 22.7 -2.7 90.5 92 90 A I H X S+ 0 0 7 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.913 110.2 54.5 -61.8 -43.1 19.3 -2.4 88.9 93 91 A H H X S+ 0 0 113 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.921 108.1 50.4 -53.2 -45.3 18.1 -0.3 91.9 94 92 A D H < S+ 0 0 40 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.884 108.7 51.3 -63.9 -40.6 21.1 2.0 91.2 95 93 A X H >< S+ 0 0 9 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.918 111.0 47.4 -60.5 -45.9 20.3 2.4 87.5 96 94 A L H 3< S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.5 49.4 -68.6 -26.3 16.7 3.4 88.3 97 95 A N T 3< S+ 0 0 104 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.439 79.3 120.3 -91.2 -2.5 17.9 5.8 91.0 98 96 A L < - 0 0 9 -3,-1.0 4,-0.1 -4,-0.5 -3,-0.0 -0.527 56.4-149.7 -70.7 119.5 20.4 7.5 88.8 99 97 A G S S+ 0 0 28 -2,-0.5 -1,-0.1 2,-0.1 114,-0.1 0.296 71.3 83.4 -77.2 11.0 19.5 11.2 88.6 100 98 A R S S- 0 0 44 110,-0.1 -48,-0.2 109,-0.1 2,-0.1 -0.887 90.3-102.2-110.6 145.8 20.9 11.6 85.1 101 99 A P - 0 0 11 0, 0.0 -48,-2.6 0, 0.0 2,-0.5 -0.432 35.2-153.1 -63.2 138.1 19.1 10.8 81.8 102 100 A V E -d 53 0A 2 -50,-0.2 20,-2.1 18,-0.1 21,-1.7 -0.979 7.6-165.8-118.4 121.6 20.3 7.5 80.4 103 101 A I E -de 54 123A 0 -50,-3.0 -48,-3.2 -2,-0.5 2,-0.5 -0.937 6.6-156.8-105.3 122.9 20.1 6.9 76.6 104 102 A A E -de 55 124A 0 19,-2.9 21,-3.1 -2,-0.5 2,-0.6 -0.874 1.9-162.5 -98.8 133.1 20.5 3.3 75.5 105 103 A A E - e 0 125A 2 -50,-2.6 2,-0.6 -2,-0.5 -48,-0.3 -0.951 11.5-165.3-115.9 108.5 21.6 2.8 71.9 106 104 A V E + e 0 126A 0 19,-3.0 21,-1.9 -2,-0.6 24,-0.3 -0.860 26.0 157.4-107.5 113.0 20.9 -0.8 70.9 107 105 A D + 0 0 8 -46,-0.6 -47,-1.0 -2,-0.6 -1,-0.1 -0.260 68.7 15.2-125.1 42.8 22.5 -2.2 67.7 108 106 A G S S- 0 0 2 19,-0.1 23,-1.2 -49,-0.1 -47,-0.2 -0.971 106.2 -22.7 175.6-171.4 22.4 -5.9 68.5 109 107 A P E - h 0 131B 27 0, 0.0 -46,-1.8 0, 0.0 -47,-0.6 -0.383 39.7-171.5 -62.9 129.5 20.8 -8.5 70.8 110 108 A A E +gh 63 132B 0 21,-3.6 23,-1.5 -48,-0.2 2,-0.4 -0.879 26.9 168.1-115.7 89.7 19.5 -7.3 74.1 111 109 A F E > - h 0 133B 61 -48,-1.8 3,-2.2 -2,-0.5 2,-0.2 -0.891 50.2 -37.5-114.5 136.5 18.7 -10.6 75.7 112 110 A G T >> S+ 0 0 13 21,-2.8 4,-2.4 -2,-0.4 3,-0.8 -0.366 140.5 18.4 58.3-115.4 17.9 -11.5 79.4 113 111 A A H 3> S+ 0 0 20 1,-0.3 4,-2.8 -2,-0.2 -1,-0.3 0.838 128.0 56.3 -52.4 -37.1 20.1 -9.2 81.5 114 112 A G H <> S+ 0 0 0 -3,-2.2 4,-2.0 -51,-0.3 -1,-0.3 0.836 106.9 47.9 -65.7 -34.8 20.6 -7.0 78.4 115 113 A F H <> S+ 0 0 2 -3,-0.8 4,-2.0 18,-0.3 -2,-0.2 0.913 112.6 49.2 -71.5 -44.5 16.8 -6.5 78.0 116 114 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.930 110.7 51.3 -57.9 -45.2 16.5 -5.7 81.7 117 115 A L H >< S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.923 109.1 49.5 -57.6 -46.5 19.4 -3.2 81.3 118 116 A S H >< S+ 0 0 5 -4,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.826 104.2 60.8 -63.4 -32.0 17.6 -1.5 78.3 119 117 A L H 3< S+ 0 0 30 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.710 98.1 57.9 -68.0 -19.7 14.5 -1.3 80.4 120 118 A T T << S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.613 87.8 98.0 -85.6 -12.8 16.3 0.9 83.0 121 119 A A S < S- 0 0 16 -3,-0.9 -18,-0.2 -4,-0.5 3,-0.1 -0.360 71.8-138.8 -71.9 154.6 17.2 3.5 80.4 122 120 A D S S+ 0 0 56 -20,-2.1 2,-0.4 1,-0.3 -19,-0.2 0.830 90.6 21.3 -80.5 -34.3 15.1 6.6 80.0 123 121 A I E -e 103 0A 35 -21,-1.7 -19,-2.9 2,-0.0 2,-0.5 -1.000 69.5-158.6-137.2 131.2 15.2 6.6 76.2 124 122 A V E -e 104 0A 12 -2,-0.4 58,-3.0 -21,-0.2 59,-0.9 -0.968 8.0-175.4-114.5 123.4 16.0 3.6 74.0 125 123 A L E -ef 105 183A 0 -21,-3.1 -19,-3.0 -2,-0.5 2,-0.3 -0.910 13.8-178.6-109.9 142.9 17.2 4.1 70.4 126 124 A A E -ef 106 184A 0 57,-2.2 59,-2.6 -2,-0.4 -19,-0.2 -0.950 23.5-139.8-140.6 158.4 17.6 1.0 68.2 127 125 A S > - 0 0 0 -21,-1.9 3,-1.8 -2,-0.3 59,-0.2 -0.644 45.6 -96.6-102.1 171.8 18.7 -0.1 64.8 128 126 A P T 3 S+ 0 0 61 0, 0.0 44,-0.4 0, 0.0 45,-0.1 0.650 123.5 66.1 -62.5 -11.9 16.9 -2.8 62.7 129 127 A R T 3 S+ 0 0 117 -23,-0.1 -22,-0.1 42,-0.1 2,-0.1 0.627 76.4 109.8 -79.6 -19.0 19.6 -5.2 64.1 130 128 A A < - 0 0 0 -3,-1.8 42,-0.8 -24,-0.3 2,-0.4 -0.358 45.6-177.8 -61.9 134.3 18.3 -4.8 67.7 131 129 A R E -hI 109 171B 89 -23,-1.2 -21,-3.6 40,-0.2 2,-0.4 -0.997 8.9-160.3-133.3 136.2 16.5 -7.9 69.1 132 130 A F E +hI 110 170B 2 38,-2.5 38,-3.5 -2,-0.4 2,-0.3 -0.961 18.8 161.7-119.4 133.5 14.9 -8.1 72.5 133 131 A S E -h 111 0B 3 -23,-1.5 -21,-2.8 -2,-0.4 2,-0.6 -0.990 33.5-156.1-153.7 139.0 14.1 -11.3 74.3 134 132 A X + 0 0 2 34,-0.5 3,-0.2 29,-0.4 33,-0.2 -0.944 30.3 159.0-108.2 104.0 13.3 -12.7 77.8 135 133 A A > + 0 0 26 -2,-0.6 3,-1.6 1,-0.1 4,-0.5 0.154 29.0 117.9-118.6 20.4 14.5 -16.3 77.6 136 134 A Y G > >S+ 0 0 28 1,-0.3 5,-2.0 2,-0.2 3,-1.5 0.817 70.4 65.6 -54.5 -34.7 14.9 -17.3 81.2 137 135 A L G > 5S+ 0 0 92 27,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.772 89.2 66.3 -63.2 -25.6 12.2 -20.0 80.9 138 136 A R G < 5S+ 0 0 160 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.789 104.6 45.8 -62.1 -27.4 14.5 -21.9 78.5 139 137 A L G < 5S- 0 0 94 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.348 121.3-108.2 -94.1 4.6 16.8 -22.4 81.5 140 138 A G T < 5S+ 0 0 63 -3,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.748 83.5 119.8 72.4 25.0 14.0 -23.4 83.8 141 139 A L < - 0 0 86 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.749 66.3-114.0-121.1 162.7 14.3 -20.1 85.6 142 140 A V - 0 0 106 -2,-0.2 2,-0.0 -3,-0.1 -3,-0.0 -0.636 50.5 -87.0 -88.6 155.0 12.2 -17.0 86.4 143 141 A P - 0 0 22 0, 0.0 5,-0.3 0, 0.0 3,-0.2 -0.382 54.2-166.3 -62.1 138.9 13.2 -13.7 84.8 144 142 A D > + 0 0 51 1,-0.1 3,-1.4 3,-0.1 -28,-0.1 -0.483 53.8 60.0-117.2-171.4 15.7 -11.8 86.9 145 143 A L T 3 S- 0 0 10 1,-0.3 -1,-0.1 -2,-0.2 -59,-0.0 0.804 127.3 -58.6 57.3 35.0 17.3 -8.3 87.2 146 144 A G T >> S+ 0 0 17 -3,-0.2 4,-3.0 3,-0.1 3,-1.0 0.503 98.1 134.2 82.3 6.1 13.9 -6.8 87.9 147 145 A A H <> + 0 0 0 -3,-1.4 4,-2.4 1,-0.3 -3,-0.1 0.861 69.2 58.4 -56.6 -38.2 12.3 -7.9 84.6 148 146 A L H 34 S+ 0 0 102 -5,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.809 116.1 36.8 -61.5 -30.4 9.1 -9.1 86.4 149 147 A Y H <> S+ 0 0 78 -3,-1.0 4,-0.7 2,-0.1 -2,-0.2 0.890 121.7 42.2 -83.4 -48.5 8.8 -5.5 87.7 150 148 A L H X S+ 0 0 15 -4,-3.0 4,-0.9 1,-0.2 3,-0.3 0.883 105.6 57.5 -74.1 -42.7 10.0 -3.5 84.7 151 149 A L H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-1.2 0.924 104.2 49.2 -64.2 -46.1 8.4 -5.3 81.7 152 150 A P H 3> S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.828 107.8 57.0 -64.1 -26.0 4.7 -5.0 82.7 153 151 A R H 3< S+ 0 0 100 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.705 113.1 41.0 -73.9 -19.6 5.2 -1.3 83.4 154 152 A A H << S+ 0 0 47 -3,-1.2 -1,-0.2 -4,-0.9 -3,-0.1 0.851 136.4 9.5 -89.8 -41.3 6.5 -0.9 79.8 155 153 A V H < S- 0 0 20 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.417 102.5-107.4-125.5 -2.5 4.0 -3.1 77.9 156 154 A G X - 0 0 32 -4,-2.1 4,-1.9 -5,-0.4 -1,-0.2 -0.113 41.9 -72.6 87.4 169.7 1.2 -4.2 80.2 157 155 A L H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 124.7 49.8 -69.3 -53.1 0.5 -7.6 81.8 158 156 A Q H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 114.4 45.6 -56.4 -43.4 -0.8 -9.6 78.8 159 157 A R H > S+ 0 0 104 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.907 111.2 52.1 -68.7 -41.2 2.2 -8.6 76.6 160 158 A A H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.924 110.8 50.4 -57.8 -43.5 4.7 -9.2 79.4 161 159 A K H X S+ 0 0 113 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.938 110.4 46.6 -61.1 -50.9 3.2 -12.7 79.8 162 160 A E H X S+ 0 0 68 -4,-2.3 4,-2.5 1,-0.2 6,-0.4 0.918 114.2 49.4 -62.3 -39.7 3.4 -13.6 76.1 163 161 A L H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -29,-0.4 0.919 116.0 41.3 -62.4 -45.9 7.0 -12.3 75.9 164 162 A X H < S+ 0 0 23 -4,-2.6 -27,-0.4 -5,-0.2 -2,-0.2 0.850 119.6 42.8 -76.6 -32.5 8.2 -14.2 79.0 165 163 A F H < S+ 0 0 158 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.877 120.8 40.7 -77.9 -41.2 6.3 -17.5 78.2 166 164 A S H < S- 0 0 55 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.827 88.0-152.1 -73.4 -32.3 7.1 -17.5 74.5 167 165 A T < + 0 0 13 -4,-1.7 -3,-0.1 -5,-0.3 -4,-0.1 0.681 39.2 162.3 61.2 22.9 10.7 -16.4 75.0 168 166 A R - 0 0 71 -6,-0.4 2,-0.6 -5,-0.3 -34,-0.5 -0.151 42.6-109.4 -70.3 163.3 10.4 -14.9 71.5 169 167 A E - 0 0 92 -36,-0.1 2,-0.5 -3,-0.1 -36,-0.2 -0.856 24.1-148.5 -96.5 122.5 12.6 -12.2 70.0 170 168 A L E -I 132 0B 0 -38,-3.5 -38,-2.5 -2,-0.6 2,-0.1 -0.796 15.1-142.1 -84.2 125.6 11.1 -8.8 69.5 171 169 A D E > -I 131 0B 60 -2,-0.5 4,-2.6 -40,-0.2 5,-0.2 -0.378 27.8-100.8 -80.4 168.4 12.5 -7.0 66.5 172 170 A A H > S+ 0 0 2 -42,-0.8 4,-2.3 -44,-0.4 5,-0.2 0.886 119.9 53.8 -54.9 -47.8 13.2 -3.2 66.5 173 171 A E H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 113.2 41.9 -57.2 -45.4 10.0 -2.3 64.6 174 172 A E H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 112.3 54.0 -71.9 -38.8 7.8 -4.2 67.0 175 173 A A H <>S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 6,-1.6 0.862 111.3 47.1 -61.2 -35.2 9.7 -2.9 70.0 176 174 A H H ><5S+ 0 0 88 -4,-2.3 3,-1.1 4,-0.2 -2,-0.2 0.910 109.6 53.0 -70.0 -45.0 9.1 0.6 68.6 177 175 A R H 3<5S+ 0 0 149 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 111.5 47.2 -54.6 -39.1 5.4 -0.2 68.0 178 176 A L T 3<5S- 0 0 22 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.456 116.8-113.6 -86.8 -4.5 5.2 -1.3 71.7 179 177 A G T < 5S+ 0 0 60 -3,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.516 88.7 112.8 84.4 5.4 7.0 1.8 73.0 180 178 A L S > - 0 0 125 -2,-0.3 3,-2.2 -59,-0.2 4,-1.3 -0.301 42.4-112.8 -57.6 146.5 20.0 2.5 60.4 187 185 A S H 3> S+ 0 0 21 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.859 118.2 55.5 -48.7 -40.5 23.1 1.0 62.2 188 186 A E H 34 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.618 115.1 38.2 -71.7 -13.6 25.3 3.5 60.4 189 187 A A H <> S+ 0 0 46 -3,-2.2 4,-1.6 2,-0.1 -1,-0.2 0.519 91.6 91.6-111.2 -11.2 23.3 6.5 61.7 190 188 A L H X S+ 0 0 6 -4,-1.3 4,-2.1 -3,-0.4 5,-0.2 0.870 83.1 49.6 -59.0 -47.6 22.5 5.2 65.3 191 189 A E H X S+ 0 0 73 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.911 109.0 52.6 -63.6 -41.6 25.4 6.7 67.2 192 190 A Q H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.872 108.7 50.4 -62.8 -37.9 25.0 10.2 65.8 193 191 A R H X S+ 0 0 11 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.927 110.2 49.3 -64.4 -44.5 21.3 10.2 66.7 194 192 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.902 112.0 50.7 -59.3 -40.0 22.2 9.2 70.3 195 193 A R H X S+ 0 0 62 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 110.2 48.1 -60.5 -49.7 24.8 12.0 70.2 196 194 A E H X S+ 0 0 51 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.897 115.5 44.3 -58.6 -46.2 22.3 14.6 69.1 197 195 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.944 114.9 47.7 -67.5 -47.5 19.7 13.6 71.7 198 196 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.917 111.2 50.0 -61.0 -46.9 22.2 13.4 74.6 199 197 A E H < S+ 0 0 63 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.820 107.3 55.4 -65.5 -28.3 23.8 16.7 73.8 200 198 A S H >< S+ 0 0 17 -4,-1.4 3,-1.4 -5,-0.2 4,-0.2 0.914 104.4 53.8 -67.8 -39.0 20.4 18.4 73.6 201 199 A L H >< S+ 0 0 14 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.699 90.2 75.5 -70.5 -20.0 19.6 17.1 77.2 202 200 A V T 3< S+ 0 0 11 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.817 93.6 54.8 -55.6 -30.6 22.8 18.7 78.5 203 201 A Q T < S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.4 56,-0.2 0.619 90.5 97.2 -80.5 -14.6 20.9 22.0 78.2 204 202 A A S < S- 0 0 9 -3,-1.3 56,-0.0 -4,-0.2 -3,-0.0 -0.430 90.1 -92.2 -76.7 152.5 18.0 20.7 80.4 205 203 A A > - 0 0 18 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.478 26.3-145.9 -67.0 121.8 17.8 21.5 84.1 206 204 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.855 98.9 49.6 -55.0 -38.1 19.5 18.8 86.2 207 205 A T H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.962 112.8 44.5 -68.4 -50.8 17.0 19.2 89.1 208 206 A A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.900 115.2 51.0 -58.8 -42.5 13.9 19.0 86.8 209 207 A L H X S+ 0 0 37 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.937 112.8 43.2 -58.8 -51.5 15.5 16.0 85.0 210 208 A A H X S+ 0 0 32 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 116.4 46.7 -66.4 -41.9 16.3 14.1 88.2 211 209 A L H X S+ 0 0 50 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.862 112.3 49.9 -70.1 -36.8 12.9 14.8 89.9 212 210 A T H X S+ 0 0 82 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.938 113.1 47.0 -65.5 -46.6 10.9 14.0 86.7 213 211 A K H X S+ 0 0 13 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.933 112.3 49.4 -58.8 -49.2 12.8 10.7 86.3 214 212 A A H X S+ 0 0 54 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.898 114.0 45.5 -61.7 -41.2 12.4 9.7 90.0 215 213 A A H >X S+ 0 0 19 -4,-2.1 4,-1.1 2,-0.2 3,-0.8 0.930 113.3 48.6 -69.3 -44.0 8.6 10.5 90.0 216 214 A L H >X S+ 0 0 117 -4,-2.7 3,-0.8 1,-0.2 4,-0.6 0.925 104.9 60.5 -61.3 -40.9 8.0 8.6 86.7 217 215 A N H 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.736 116.8 30.6 -61.4 -25.1 9.9 5.6 87.9 218 216 A V H XX S+ 0 0 58 -4,-0.8 3,-2.0 -3,-0.8 4,-0.7 0.463 90.5 100.5-108.2 -2.9 7.5 5.1 90.8 219 217 A S H X< S+ 0 0 48 -4,-1.1 3,-1.3 -3,-0.8 -2,-0.1 0.883 84.9 46.2 -53.0 -47.4 4.3 6.5 89.3 220 218 A L T 3< S+ 0 0 127 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.508 110.5 54.8 -78.1 -3.4 2.8 3.1 88.5 221 219 A D T <4 S+ 0 0 76 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.496 109.2 59.6 -93.6 -10.6 3.7 1.8 92.0 222 220 A S S << S- 0 0 41 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.1 -0.052 72.4-120.8-114.0-160.9 1.8 4.6 93.6 223 221 A D > - 0 0 88 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.875 37.0 -88.4-145.6 173.0 -1.6 6.3 94.0 224 222 A E H > S+ 0 0 132 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.914 119.5 40.8 -57.7 -56.2 -3.2 9.7 93.4 225 223 A Q H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 116.0 50.7 -65.8 -38.1 -2.5 11.5 96.7 226 224 A T H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 113.8 44.4 -63.7 -44.7 1.0 10.2 97.0 227 225 A X H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.845 111.2 54.0 -69.6 -33.9 1.9 11.3 93.5 228 226 A F H X S+ 0 0 109 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.885 110.6 47.1 -63.6 -39.3 0.2 14.7 94.0 229 227 A S H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.861 111.3 50.6 -70.7 -35.8 2.4 15.1 97.1 230 228 A L H X S+ 0 0 60 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.909 109.5 51.7 -67.6 -41.0 5.5 14.1 95.2 231 229 A E H X S+ 0 0 128 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 109.9 49.3 -56.9 -48.6 4.6 16.6 92.5 232 230 A A H X S+ 0 0 61 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 114.1 43.8 -59.8 -47.6 4.2 19.4 95.0 233 231 A A H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.895 115.1 50.0 -64.8 -39.6 7.5 18.7 96.7 234 232 A S H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.910 110.9 47.1 -69.0 -42.2 9.3 18.3 93.4 235 233 A Q H X S+ 0 0 106 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.893 109.3 54.7 -68.7 -37.7 8.0 21.5 91.8 236 234 A A H < S+ 0 0 64 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.910 111.3 46.1 -57.8 -42.6 8.9 23.4 95.0 237 235 A A H >< S+ 0 0 44 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.916 110.0 53.1 -66.2 -42.9 12.4 22.1 94.6 238 236 A A H >< S+ 0 0 9 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.879 102.5 58.1 -61.1 -40.7 12.6 22.9 90.9 239 237 A F T 3< S+ 0 0 145 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.604 94.9 67.0 -68.0 -10.9 11.6 26.5 91.5 240 238 A S T < S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.3 0.041 89.6 84.2 -96.4 25.0 14.6 27.0 93.7 241 239 A T S < S- 0 0 36 -3,-1.2 4,-0.4 1,-0.0 -36,-0.0 -0.767 84.1-119.0-119.0 168.6 17.0 26.5 90.8 242 240 A K S > S+ 0 0 163 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.683 95.4 78.8 -78.7 -20.8 18.4 29.0 88.2 243 241 A E H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 85.6 54.4 -67.0 -41.6 16.9 27.3 85.1 244 242 A P H > S+ 0 0 35 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.948 110.1 48.3 -57.9 -46.1 13.3 28.4 85.3 245 243 A R H > S+ 0 0 175 -4,-0.4 4,-3.1 1,-0.2 5,-0.3 0.940 112.8 48.0 -55.7 -50.1 14.3 32.1 85.4 246 244 A A H X S+ 0 0 49 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.891 116.3 43.8 -58.7 -42.8 16.7 31.6 82.5 247 245 A A H X S+ 0 0 25 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.910 116.3 46.0 -68.2 -45.4 14.1 29.8 80.4 248 246 A I H X S+ 0 0 93 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.928 111.8 50.2 -66.2 -47.9 11.2 32.2 81.3 249 247 A E H X S+ 0 0 96 -4,-3.1 4,-1.5 -5,-0.2 -1,-0.2 0.915 111.8 50.1 -55.6 -46.6 13.3 35.4 80.7 250 248 A A H <>S+ 0 0 22 -4,-1.6 5,-3.0 -5,-0.3 3,-0.3 0.936 112.1 45.7 -57.8 -50.6 14.3 34.0 77.3 251 249 A L H ><5S+ 0 0 98 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.832 111.9 50.9 -66.0 -34.6 10.8 33.1 76.2 252 250 A L H 3<5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 106.5 55.9 -72.9 -24.2 9.4 36.5 77.3 253 251 A S T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.206 122.9-111.2 -86.0 12.8 12.2 38.1 75.3 254 252 A K T < 5S+ 0 0 191 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.754 80.7 125.1 58.4 29.1 10.8 36.2 72.3 255 253 A Q < - 0 0 114 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.801 68.5 -99.0-110.8 155.1 14.0 34.0 72.3 256 254 A P - 0 0 63 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.463 39.9-115.6 -71.1 146.6 14.2 30.2 72.5 257 255 A P - 0 0 27 0, 0.0 -10,-0.1 0, 0.0 -9,-0.0 -0.295 31.4-100.9 -74.0 166.2 14.9 28.6 75.9 258 256 A P S S+ 0 0 65 0, 0.0 2,-0.6 0, 0.0 -54,-0.1 0.901 115.3 46.1 -57.1 -42.7 18.2 26.7 76.5 259 257 A F + 0 0 72 -56,-0.2 3,-0.1 1,-0.1 -58,-0.1 -0.914 60.0 164.2-104.2 117.3 16.4 23.3 76.2 260 258 A R - 0 0 188 -2,-0.6 2,-0.2 1,-0.5 -1,-0.1 0.266 56.4 -97.1-112.2 6.8 14.0 23.2 73.1 261 259 A G - 0 0 28 -61,-0.2 -1,-0.5 -64,-0.1 3,-0.1 -0.601 68.2 -28.8 101.2-170.4 13.6 19.5 73.0 262 260 A F S S- 0 0 61 -2,-0.2 -65,-0.1 1,-0.1 3,-0.1 -0.487 73.9 -97.2 -80.2 150.9 15.4 17.0 70.7 263 261 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.344 49.5 -92.3 -64.1 149.1 16.8 18.1 67.4 264 262 A R - 0 0 223 1,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.305 48.4 -98.4 -59.2 143.2 14.6 17.3 64.3 265 263 A R 0 0 137 -3,-0.1 -1,-0.1 1,-0.0 -72,-0.0 -0.434 360.0 360.0 -61.3 137.9 15.4 14.0 62.7 266 264 A S 0 0 155 -2,-0.1 -1,-0.0 -3,-0.1 0, 0.0 -0.988 360.0 360.0-148.2 360.0 17.7 14.5 59.6