==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-02 1IZ8 . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE, LINB; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.A.STRELTSOV . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 0 1 2 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 L 0 0 166 0, 0.0 2,-0.1 0, 0.0 274,-0.0 0.000 360.0 360.0 360.0 155.5 5.2 3.0 8.3 2 4 A G - 0 0 16 1,-0.1 43,-0.1 0, 0.0 42,-0.0 -0.148 360.0-151.5 140.0 125.4 7.8 3.7 5.6 3 5 A A S S+ 0 0 26 -2,-0.1 184,-0.1 2,-0.1 -1,-0.1 0.605 70.4 104.6 -89.5 -14.4 11.5 3.9 5.0 4 6 A K S S- 0 0 132 1,-0.1 180,-0.0 40,-0.0 2,-0.0 -0.452 74.1-117.0 -73.5 139.5 11.2 6.4 2.2 5 7 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.290 26.8-112.1 -69.6 157.2 12.0 10.1 2.9 6 8 A F S S- 0 0 43 34,-0.1 37,-0.1 35,-0.0 39,-0.1 -0.839 74.3 -30.4 -94.8 119.7 9.4 12.8 2.6 7 9 A G S S- 0 0 31 -2,-0.6 2,-0.4 37,-0.1 15,-0.1 -0.333 91.2 -61.9 74.8-157.3 9.9 15.2 -0.3 8 10 A E - 0 0 111 15,-0.1 15,-0.5 -2,-0.1 2,-0.3 -0.980 47.6-106.9-132.2 144.5 13.3 16.1 -1.7 9 11 A K - 0 0 62 -2,-0.4 2,-0.3 13,-0.1 13,-0.2 -0.508 31.8-168.3 -73.5 133.6 16.3 17.8 -0.1 10 12 A K E -A 21 0A 79 11,-3.5 11,-2.4 -2,-0.3 2,-0.4 -0.793 10.9-141.8-112.8 159.2 17.0 21.4 -1.1 11 13 A F E +A 20 0A 108 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 18.5 176.7-129.1 147.3 20.2 23.2 -0.2 12 14 A I E -A 19 0A 50 7,-2.2 7,-3.3 -2,-0.4 2,-0.4 -0.997 31.7-115.3-147.3 139.5 21.1 26.8 0.8 13 15 A E - 0 0 115 -2,-0.3 2,-0.5 5,-0.3 3,-0.0 -0.632 32.1-177.0 -80.5 128.1 24.4 28.4 1.9 14 16 A I > - 0 0 9 -2,-0.4 3,-0.9 1,-0.1 76,-0.1 -0.960 67.3 -22.3-131.4 116.1 24.5 29.7 5.4 15 17 A K T 3 S- 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 71,-0.0 0.919 128.1 -50.4 52.8 47.6 27.5 31.5 6.9 16 18 A G T 3 S+ 0 0 55 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.1 0.705 128.7 96.9 65.1 24.1 29.7 29.9 4.3 17 19 A R S < S- 0 0 47 -3,-0.9 51,-0.2 69,-0.0 -2,-0.1 0.806 71.4-136.0-115.8 -35.8 28.3 26.5 5.1 18 20 A R - 0 0 123 49,-0.1 50,-2.0 1,-0.1 2,-0.3 0.843 20.5-158.8 74.5 102.4 25.4 25.1 3.0 19 21 A M E -A 12 0A 1 -7,-3.3 -7,-2.2 48,-0.2 2,-0.3 -0.852 8.5-131.0-115.8 150.3 22.6 23.5 5.0 20 22 A A E +A 11 0A 0 40,-0.3 40,-2.6 -2,-0.3 2,-0.3 -0.756 31.9 156.2-103.4 147.9 20.0 20.9 3.8 21 23 A Y E -AB 10 59A 23 -11,-2.4 -11,-3.5 -2,-0.3 2,-0.4 -0.990 39.7-116.2-161.4 167.3 16.2 21.0 4.2 22 24 A I E + B 0 58A 7 36,-2.4 36,-1.8 -2,-0.3 2,-0.3 -0.912 28.9 175.7-108.8 134.7 12.8 19.9 3.0 23 25 A D E + B 0 57A 22 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.836 11.3 165.6-145.1 97.5 10.5 22.7 1.8 24 26 A E E - B 0 56A 43 32,-2.8 32,-2.9 -2,-0.3 2,-0.1 -0.972 40.1 -6.1-124.1 130.8 7.2 21.4 0.4 25 27 A G S S- 0 0 57 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.391 73.4 -77.1 94.3-170.5 4.0 23.3 -0.4 26 28 A T S S+ 0 0 125 28,-0.2 2,-0.2 -2,-0.1 -2,-0.0 -0.888 72.1 46.0-134.3 164.2 2.6 26.8 0.1 27 29 A G S S- 0 0 53 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.635 97.5 -9.6 105.9-165.9 1.2 28.9 2.8 28 30 A D S S- 0 0 67 -2,-0.2 27,-1.5 25,-0.2 72,-0.1 -0.460 84.5-105.6 -67.9 139.9 2.2 29.5 6.3 29 31 A P E -c 55 0A 1 0, 0.0 72,-2.0 0, 0.0 2,-0.6 -0.350 18.8-156.0 -76.3 149.9 5.0 27.1 7.4 30 32 A I E -cd 56 101A 0 25,-2.9 27,-2.5 70,-0.2 2,-0.6 -0.979 25.8-155.4-117.8 105.1 4.7 24.1 9.6 31 33 A L E -cd 57 102A 2 70,-3.0 72,-3.3 -2,-0.6 2,-0.5 -0.794 10.8-167.7 -94.1 117.3 8.3 23.8 10.8 32 34 A F E -cd 58 103A 0 25,-3.6 27,-0.9 -2,-0.6 2,-0.5 -0.908 6.5-169.7-105.7 124.2 9.5 20.3 12.0 33 35 A Q E -cd 59 104A 0 70,-2.7 72,-1.1 -2,-0.5 75,-0.2 -0.944 5.3-155.9-123.7 118.8 12.8 20.3 13.8 34 36 A H - 0 0 0 25,-0.6 2,-0.1 -2,-0.5 6,-0.1 -0.193 8.7-158.0 -76.8 170.2 14.7 17.1 14.7 35 37 A G > + 0 0 0 72,-0.2 3,-1.5 4,-0.2 71,-0.1 -0.306 43.1 5.6-127.0-147.3 17.2 16.7 17.5 36 38 A N T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.681 122.5 -8.0 -88.6 134.2 20.2 14.3 18.4 37 39 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.538 116.2 80.3-112.6 47.8 21.2 12.2 16.6 38 40 A T < - 0 0 2 -3,-1.5 27,-0.3 1,-0.1 2,-0.2 -0.102 53.4-151.2 -99.7-162.0 18.6 12.4 13.9 39 41 A S > - 0 0 7 25,-0.1 3,-1.8 21,-0.1 4,-0.2 -0.800 53.1 -62.7-151.9-167.5 17.8 14.5 10.8 40 42 A S G > S+ 0 0 2 1,-0.3 3,-2.8 -2,-0.2 4,-0.2 0.836 120.3 79.4 -56.9 -32.4 14.7 15.7 8.9 41 43 A Y G > S+ 0 0 19 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.755 75.5 74.7 -45.7 -31.9 14.2 12.0 8.1 42 44 A L G < S+ 0 0 3 -3,-1.8 -1,-0.3 1,-0.3 3,-0.3 0.747 97.6 46.3 -56.2 -26.5 12.7 11.6 11.6 43 45 A W G X> S+ 0 0 0 -3,-2.8 4,-2.5 -4,-0.2 3,-1.5 0.314 76.6 112.3-101.4 8.7 9.5 13.3 10.3 44 46 A R T <4 S+ 0 0 7 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.768 84.0 37.8 -53.9 -33.2 9.1 11.4 7.0 45 47 A N T 34 S+ 0 0 24 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.1 0.391 119.2 47.6-102.0 5.5 5.9 9.6 8.1 46 48 A I T X4 S+ 0 0 1 -3,-1.5 3,-1.4 2,-0.1 4,-0.5 0.778 97.5 63.5-109.6 -42.3 4.3 12.5 10.0 47 49 A M G >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 4,-0.2 0.834 92.0 68.7 -54.3 -35.5 4.7 15.5 7.6 48 50 A P G > S+ 0 0 54 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.856 90.9 61.5 -52.7 -36.9 2.4 13.7 5.1 49 51 A H G < S+ 0 0 61 -3,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.751 101.5 53.8 -61.9 -24.4 -0.6 14.2 7.5 50 52 A C G X S+ 0 0 0 -3,-1.7 3,-2.3 -4,-0.5 4,-0.3 0.371 76.8 138.9 -91.7 2.5 -0.1 17.9 7.1 51 53 A A T < S+ 0 0 61 -3,-1.8 4,-0.1 1,-0.3 -26,-0.1 -0.156 75.1 12.3 -48.9 140.2 -0.2 18.1 3.3 52 54 A G T 3 S+ 0 0 83 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.437 103.9 97.3 70.9 -1.3 -2.2 21.0 2.0 53 55 A L S < S- 0 0 35 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.501 98.1 -58.3 -96.4 -4.0 -2.2 22.6 5.5 54 56 A G S S- 0 0 7 -4,-0.3 2,-0.7 -27,-0.1 -1,-0.3 -0.940 81.1 -33.5 154.2-174.4 0.7 24.9 4.8 55 57 A R E - c 0 29A 41 -27,-1.5 -25,-2.9 -2,-0.3 2,-0.6 -0.667 59.5-147.4 -78.4 109.8 4.4 25.1 3.8 56 58 A L E +Bc 24 30A 4 -32,-2.9 -32,-2.8 -2,-0.7 2,-0.4 -0.719 22.0 178.4 -88.8 121.9 6.0 22.0 5.3 57 59 A I E +Bc 23 31A 0 -27,-2.5 -25,-3.6 -2,-0.6 2,-0.4 -0.969 17.5 175.7-129.5 136.9 9.6 22.4 6.4 58 60 A A E -Bc 22 32A 0 -36,-1.8 -36,-2.4 -2,-0.4 2,-0.3 -0.939 17.1-159.5-140.1 112.1 12.2 20.1 8.0 59 61 A C E -Bc 21 33A 0 -27,-0.9 2,-0.6 -2,-0.4 -25,-0.6 -0.721 14.3-134.4 -97.3 143.9 15.7 21.4 8.5 60 62 A D - 0 0 0 -40,-2.6 -40,-0.3 -2,-0.3 3,-0.1 -0.855 30.8-123.4 -94.0 118.9 18.9 19.3 9.0 61 63 A L > - 0 0 1 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.229 42.3 -81.3 -59.7 153.4 20.9 20.8 11.8 62 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.2 -1,-0.1 -0.300 121.0 18.9 -59.1 135.8 24.5 21.8 10.9 63 65 A G T 3 S+ 0 0 0 5,-2.1 -1,-0.3 1,-0.3 2,-0.3 0.407 116.5 92.2 81.9 -1.4 26.8 18.8 11.0 64 66 A M S X S- 0 0 0 -3,-2.2 3,-2.0 4,-0.2 -1,-0.3 -0.797 84.3 -10.1-123.9 162.1 23.7 16.6 10.7 65 67 A G T 3 S- 0 0 9 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.186 127.5 -26.1 54.1-132.5 21.7 15.0 7.9 66 68 A D T 3 S+ 0 0 59 -46,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.385 110.5 116.4 -93.6 4.3 22.8 16.3 4.5 67 69 A S S < S- 0 0 7 -3,-2.0 -48,-0.2 -6,-0.3 -49,-0.1 -0.385 76.1 -92.3 -71.3 150.3 24.0 19.6 6.1 68 70 A D - 0 0 46 -50,-2.0 -5,-2.1 -51,-0.2 2,-0.3 -0.146 35.1-118.5 -60.1 154.2 27.7 20.4 5.9 69 71 A K - 0 0 61 -7,-0.1 2,-0.4 -6,-0.1 -1,-0.1 -0.663 29.6-117.5 -89.8 151.6 30.1 19.4 8.7 70 72 A L - 0 0 2 -2,-0.3 7,-0.1 -8,-0.1 -53,-0.0 -0.727 36.9-122.6 -90.0 139.0 31.9 22.2 10.4 71 73 A D S S+ 0 0 103 -2,-0.4 2,-0.2 1,-0.2 3,-0.0 -0.999 89.3 31.7-144.0 142.2 35.6 22.3 10.1 72 74 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.542 88.3-166.2 -67.0 151.5 37.9 22.3 11.9 73 75 A S + 0 0 28 -2,-0.2 124,-0.1 4,-0.1 -2,-0.1 -0.788 21.5 134.0-106.4 152.3 35.7 20.2 14.3 74 76 A G > - 0 0 15 -2,-0.3 3,-2.2 123,-0.1 0, 0.0 -0.981 67.1 -56.5-177.2-179.9 36.6 19.5 17.9 75 77 A P T 3 S+ 0 0 80 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.694 131.0 45.2 -49.1 -25.6 35.5 19.4 21.6 76 78 A E T > S+ 0 0 172 3,-0.0 3,-0.6 2,-0.0 2,-0.1 0.534 93.3 95.9 -99.2 -6.9 34.3 23.0 21.4 77 79 A R T < S+ 0 0 58 -3,-2.2 -4,-0.1 1,-0.2 127,-0.0 -0.440 78.9 28.0 -80.5 158.8 32.5 22.8 18.0 78 80 A Y T 3 S+ 0 0 0 1,-0.2 -1,-0.2 -2,-0.1 -5,-0.0 0.687 76.1 156.6 66.8 24.9 28.7 22.2 17.8 79 81 A A X> - 0 0 29 -3,-0.6 4,-1.8 1,-0.1 3,-0.8 -0.295 60.0 -98.1 -70.7 166.9 27.8 23.7 21.2 80 82 A Y H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 123.4 54.8 -53.3 -48.2 24.2 25.0 21.5 81 83 A A H 3> S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.807 108.4 50.1 -57.3 -31.4 25.1 28.6 20.7 82 84 A E H <> S+ 0 0 38 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.853 109.6 49.1 -77.9 -35.5 26.7 27.5 17.5 83 85 A H H X S+ 0 0 2 -4,-1.8 4,-2.9 -3,-0.2 -2,-0.2 0.872 111.5 50.9 -70.2 -35.4 23.8 25.4 16.3 84 86 A R H X S+ 0 0 55 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.875 104.6 56.7 -69.0 -37.0 21.5 28.3 17.1 85 87 A D H X S+ 0 0 91 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.892 114.7 38.8 -62.1 -38.2 23.6 30.7 15.0 86 88 A Y H X S+ 0 0 21 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.893 117.0 48.8 -78.6 -41.6 23.2 28.5 12.0 87 89 A L H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.907 109.7 52.9 -64.9 -40.5 19.6 27.6 12.6 88 90 A D H X S+ 0 0 42 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.929 112.4 44.5 -58.1 -47.3 18.6 31.3 13.1 89 91 A A H X S+ 0 0 33 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.809 113.2 51.3 -69.8 -29.1 20.2 32.3 9.8 90 92 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.917 111.2 47.0 -72.6 -43.0 18.7 29.3 8.0 91 93 A W H <>S+ 0 0 1 -4,-2.8 5,-0.7 1,-0.2 -2,-0.2 0.787 112.1 51.4 -68.2 -27.7 15.2 30.2 9.3 92 94 A E H ><5S+ 0 0 123 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.903 108.6 51.3 -73.0 -43.4 15.7 33.8 8.3 93 95 A A H 3<5S+ 0 0 47 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.880 100.8 62.5 -62.0 -39.3 16.7 32.8 4.8 94 96 A L T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.422 101.0-132.5 -70.7 3.1 13.7 30.6 4.3 95 97 A D T < 5 + 0 0 128 -3,-1.4 -3,-0.1 1,-0.1 -2,-0.1 0.941 34.1 176.9 43.4 74.0 11.3 33.6 4.7 96 98 A L < - 0 0 4 -5,-0.7 3,-0.5 1,-0.2 2,-0.2 0.696 21.9-147.8 -82.6 -20.1 8.9 32.0 7.1 97 99 A G - 0 0 38 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.492 35.9 -64.5 86.2-158.2 6.6 34.9 7.8 98 100 A D S S+ 0 0 101 1,-0.2 -1,-0.2 -2,-0.2 -70,-0.0 0.056 114.8 66.9-126.3 27.8 4.8 35.5 11.0 99 101 A R + 0 0 91 -3,-0.5 2,-0.4 24,-0.1 24,-0.2 -0.574 66.0 160.3-142.1 66.9 2.3 32.6 11.6 100 102 A V E - e 0 123A 0 22,-2.9 24,-2.0 -3,-0.2 25,-1.4 -0.778 28.6-154.5 -96.9 134.7 4.8 29.8 12.1 101 103 A V E -de 30 125A 0 -72,-2.0 -70,-3.0 -2,-0.4 2,-0.4 -0.953 15.4-150.2-107.5 125.5 3.7 26.5 13.7 102 104 A L E -de 31 126A 1 23,-2.9 25,-3.4 -2,-0.5 2,-0.5 -0.842 13.2-170.9-101.5 134.8 6.7 24.7 15.3 103 105 A V E +de 32 127A 0 -72,-3.3 -70,-2.7 -2,-0.4 2,-0.3 -0.966 26.3 176.1-124.7 107.0 6.8 20.9 15.7 104 106 A V E +de 33 128A 1 23,-2.3 25,-1.1 -2,-0.5 2,-0.3 -0.782 23.0 179.5-123.6 161.1 9.7 20.0 17.9 105 107 A H E >> - e 0 129A 0 -72,-1.1 3,-2.5 -2,-0.3 4,-0.7 -0.986 58.8 -30.8-153.4 146.6 11.6 17.1 19.6 106 108 A D H >> S+ e 0 131A 14 24,-1.9 4,-1.3 23,-0.7 26,-0.9 -0.057 133.8 1.1 45.1-118.9 14.7 16.8 21.7 107 109 A W H 3> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.744 130.1 65.8 -72.4 -18.9 17.3 19.5 20.8 108 110 A G H <> S+ 0 0 0 -3,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.842 100.7 49.9 -67.3 -33.0 14.8 20.8 18.3 109 111 A S H < S+ 0 0 69 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.961 113.8 46.7 -60.2 -50.3 10.6 33.1 22.8 118 120 A R H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 126.7 30.9 -64.2 -24.1 12.8 35.4 20.8 119 121 A H T >< S+ 0 0 51 -4,-2.2 3,-1.9 -5,-0.2 4,-0.3 -0.171 74.2 144.8-127.0 41.9 10.2 35.6 18.0 120 122 A R G X + 0 0 127 -3,-1.3 3,-1.8 1,-0.3 -1,-0.1 0.810 67.4 61.2 -49.2 -42.3 6.9 35.1 19.9 121 123 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.754 104.5 51.5 -58.2 -24.4 4.9 37.5 17.7 122 124 A R G < S+ 0 0 55 -3,-1.9 -22,-2.9 -6,-0.2 2,-0.7 0.432 88.8 99.4 -94.2 -0.3 5.6 35.2 14.8 123 125 A V E < +e 100 0A 4 -3,-1.8 -22,-0.2 -4,-0.3 3,-0.1 -0.802 37.9 173.0-101.3 112.7 4.5 32.0 16.4 124 126 A Q E - 0 0 22 -24,-2.0 2,-0.3 -2,-0.7 -23,-0.2 0.814 68.7 -16.7 -79.7 -35.4 1.1 30.6 15.7 125 127 A G E -e 101 0A 0 -25,-1.4 -23,-2.9 109,-0.1 2,-0.4 -0.986 49.9-140.4-168.7 158.2 1.5 27.3 17.6 126 128 A I E -ef 102 236A 1 109,-2.0 111,-2.7 -2,-0.3 2,-0.6 -0.984 10.3-175.5-132.4 123.0 3.8 24.8 19.2 127 129 A A E +ef 103 237A 0 -25,-3.4 -23,-2.3 -2,-0.4 2,-0.3 -0.980 22.0 174.3-116.0 116.0 3.5 21.0 19.1 128 130 A Y E +ef 104 238A 0 109,-2.1 111,-2.8 -2,-0.6 2,-0.3 -0.889 14.6 173.0-128.0 158.3 6.2 19.4 21.2 129 131 A M E +e 105 0A 0 -25,-1.1 -23,-0.7 -2,-0.3 111,-0.1 -0.976 68.1 4.2-159.9 147.6 7.2 15.9 22.4 130 132 A E E S+ 0 0 2 109,-0.4 -24,-1.9 -2,-0.3 2,-0.2 0.890 94.4 164.5 34.7 58.3 10.1 14.2 24.3 131 133 A A E -e 106 0A 0 -26,-0.2 2,-1.3 -22,-0.1 3,-0.2 -0.580 55.8-114.9-106.1 163.1 11.5 17.7 24.8 132 134 A I + 0 0 7 -26,-0.9 115,-0.0 -2,-0.2 -27,-0.0 -0.779 47.4 164.3 -92.5 90.4 14.1 19.6 26.9 133 135 A A - 0 0 0 -2,-1.3 -1,-0.2 1,-0.2 96,-0.1 0.713 58.9 -8.0 -85.7 -20.8 11.5 21.7 28.6 134 136 A M S S- 0 0 23 -3,-0.2 -1,-0.2 92,-0.1 89,-0.1 -0.969 87.5 -73.3-166.0 164.3 13.5 23.0 31.5 135 137 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 76,-0.2 -0.442 58.7-164.5 -67.4 145.2 16.9 22.5 33.2 136 138 A I B -h 211 0B 8 74,-2.8 76,-2.4 -2,-0.1 77,-0.4 -0.731 18.4-123.3-128.1 178.0 17.0 19.2 35.0 137 139 A E >> - 0 0 101 74,-0.3 3,-1.4 -2,-0.2 4,-0.6 -0.771 37.2-105.3-116.4 162.7 18.9 17.1 37.6 138 140 A W G >4 S+ 0 0 57 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.882 119.8 62.3 -57.4 -36.7 20.4 13.7 37.2 139 141 A A G 34 S+ 0 0 81 1,-0.3 -1,-0.3 7,-0.0 4,-0.1 0.779 100.6 53.6 -59.3 -27.5 17.5 12.2 39.3 140 142 A D G <4 S+ 0 0 34 -3,-1.4 -1,-0.3 2,-0.1 108,-0.2 0.594 90.4 101.2 -82.6 -11.1 15.1 13.5 36.6 141 143 A F S << S- 0 0 10 -3,-1.7 5,-0.2 -4,-0.6 105,-0.1 -0.562 92.3 -93.5 -81.3 137.0 17.1 11.7 33.9 142 144 A P >> - 0 0 28 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.224 37.3-141.8 -45.6 118.4 15.8 8.3 32.5 143 145 A E H >> S+ 0 0 147 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.798 91.5 64.8 -61.3 -32.8 17.7 5.8 34.7 144 146 A Q H 34 S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.787 117.7 27.8 -63.1 -25.0 18.4 3.1 32.1 145 147 A D H <> S+ 0 0 12 -3,-1.1 4,-2.4 2,-0.1 -1,-0.2 0.340 91.9 102.8-117.6 6.6 20.6 5.6 30.2 146 148 A R H S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 110.1 45.5 -63.0 -43.7 25.8 6.3 29.8 149 151 A F H X S+ 0 0 13 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.860 109.7 52.9 -70.9 -32.9 24.9 10.0 29.5 150 152 A Q H < S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.5 53.0 -68.1 -29.4 27.1 10.9 32.5 151 153 A A H >< S+ 0 0 27 -4,-1.6 3,-1.3 -5,-0.2 5,-0.4 0.833 101.7 56.4 -74.1 -32.7 29.8 9.0 30.5 152 154 A F H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 105.2 54.8 -65.2 -31.4 29.2 11.1 27.3 153 155 A R T 3< S+ 0 0 55 -4,-1.3 -1,-0.3 -5,-0.1 2,-0.3 -0.097 104.2 68.5 -93.3 32.7 30.0 14.1 29.4 154 156 A S S X S- 0 0 43 -3,-1.3 3,-2.3 -5,-0.0 4,-0.3 -0.842 107.3 -85.5-137.7 174.4 33.3 12.8 30.6 155 157 A Q T 3 S+ 0 0 177 1,-0.3 3,-0.4 -2,-0.3 4,-0.3 0.577 122.8 68.4 -61.9 -6.5 36.6 12.1 28.8 156 158 A A T 3> S+ 0 0 45 -5,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.561 76.7 83.4 -88.7 -8.7 35.1 8.7 27.8 157 159 A G H <>>S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.4 5,-0.6 0.810 81.7 61.4 -64.0 -31.6 32.6 10.3 25.5 158 160 A E H >>S+ 0 0 49 -3,-0.4 5,-1.6 -4,-0.3 4,-1.0 0.939 108.8 40.6 -62.5 -45.8 35.1 10.6 22.7 159 161 A E H 4>S+ 0 0 116 -4,-0.3 5,-2.1 3,-0.2 4,-0.3 0.940 116.9 49.4 -67.0 -46.9 35.6 6.8 22.4 160 162 A L H <5S+ 0 0 40 -4,-2.0 6,-2.2 3,-0.2 -2,-0.2 0.921 128.8 18.1 -57.7 -48.0 31.9 6.0 22.9 161 163 A V H X5S+ 0 0 0 -4,-2.5 4,-1.6 4,-0.2 -3,-0.2 0.933 129.3 38.5 -94.2 -57.5 30.7 8.4 20.3 162 164 A L T <> + 0 0 13 -6,-2.2 4,-2.9 1,-0.2 5,-2.0 0.878 65.1 56.7 -61.2 -43.0 27.1 4.8 20.3 167 169 A F H 4>S+ 0 0 7 3,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.945 116.6 36.2 -57.8 -46.2 24.4 7.5 20.2 168 170 A V H 45S+ 0 0 0 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.891 127.6 34.6 -72.4 -41.0 23.3 6.5 16.6 169 171 A E H <5S+ 0 0 70 -4,-2.3 -3,-0.2 3,-0.1 -2,-0.2 0.729 134.6 17.2 -90.9 -23.4 23.8 2.7 17.0 170 172 A Q T X5S+ 0 0 100 -4,-2.9 4,-2.2 -5,-0.3 -3,-0.2 0.778 125.4 44.1-112.1 -57.0 22.8 2.1 20.6 171 173 A V H >44 S+ 0 0 46 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.931 114.6 58.9 -61.7 -38.5 17.5 1.9 18.4 174 176 A G H 3< S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.719 105.1 47.5 -62.1 -24.8 17.3 1.5 22.2 175 177 A L T << S+ 0 0 14 -4,-1.3 95,-1.8 -3,-0.8 96,-1.3 0.055 95.5 83.2-107.6 24.8 14.8 4.3 22.6 176 178 A I < - 0 0 13 -3,-1.6 4,-0.1 93,-0.2 96,-0.1 -0.999 67.4-149.4-126.3 123.7 12.4 3.1 19.8 177 179 A L S S+ 0 0 104 -2,-0.4 -1,-0.1 2,-0.1 91,-0.1 0.718 76.8 61.4 -68.1 -25.4 9.9 0.4 20.7 178 180 A R S S- 0 0 70 1,-0.0 2,-0.3 -5,-0.0 -2,-0.1 -0.772 94.4 -99.8-106.0 149.9 9.6 -1.2 17.3 179 181 A P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.489 39.6-134.1 -67.4 127.7 12.4 -2.9 15.3 180 182 A L - 0 0 35 -2,-0.3 2,-0.1 -4,-0.1 -4,-0.0 -0.416 19.8-112.7 -78.1 158.4 13.8 -0.5 12.6 181 183 A S > - 0 0 46 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.461 24.9-109.0 -88.2 165.0 14.4 -1.7 9.1 182 184 A E H > S+ 0 0 173 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 121.0 48.0 -56.8 -43.5 17.7 -2.0 7.4 183 185 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.821 108.6 54.0 -69.7 -32.6 17.0 1.0 5.2 184 186 A E H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 109.7 47.0 -70.4 -37.7 15.8 3.1 8.1 185 187 A M H X S+ 0 0 26 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.861 109.3 55.9 -71.3 -33.8 19.1 2.5 10.1 186 188 A A H X S+ 0 0 44 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.957 105.4 50.5 -61.5 -49.4 21.0 3.3 6.9 187 189 A A H < S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.836 113.9 45.3 -59.0 -33.8 19.4 6.7 6.6 188 190 A Y H < S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 117.5 41.8 -78.4 -39.6 20.1 7.5 10.3 189 191 A R H >< S+ 0 0 73 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.662 92.7 87.6 -81.1 -15.5 23.8 6.3 10.2 190 192 A E G >< S+ 0 0 110 -4,-2.1 3,-1.4 1,-0.3 4,-0.2 0.898 86.1 49.5 -51.8 -49.3 24.6 7.8 6.8 191 193 A P G 3 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.726 120.0 40.4 -65.4 -14.4 25.6 11.3 8.1 192 194 A F G < S+ 0 0 1 -3,-1.3 -2,-0.2 -4,-0.2 7,-0.1 -0.059 72.9 119.5-124.1 33.0 27.9 9.6 10.6 193 195 A L < + 0 0 112 -3,-1.4 2,-0.4 5,-0.1 -1,-0.1 0.838 63.1 77.1 -67.5 -31.4 29.4 6.7 8.7 194 196 A A S S- 0 0 57 -4,-0.2 5,-0.2 -3,-0.2 4,-0.1 -0.664 82.9-126.7 -87.3 130.7 32.9 8.0 9.2 195 197 A A S S+ 0 0 70 -2,-0.4 3,-0.3 3,-0.1 2,-0.3 -0.304 73.9 24.7 -68.8 155.0 34.6 7.6 12.6 196 198 A G S > S+ 0 0 27 -34,-3.2 3,-1.8 1,-0.2 4,-0.2 -0.715 120.8 4.4 98.4-143.7 36.0 10.7 14.4 197 199 A E G > S+ 0 0 71 -2,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.706 113.5 73.3 -57.5 -25.5 34.9 14.3 13.9 198 200 A A G 3 S+ 0 0 22 -3,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.823 103.3 45.3 -60.6 -25.1 31.9 13.6 11.6 199 201 A R G X S+ 0 0 25 -3,-1.8 3,-1.3 -5,-0.2 4,-0.5 0.434 82.4 103.5 -94.8 -3.5 30.2 12.2 14.7 200 202 A R T X> S+ 0 0 8 -3,-1.6 4,-2.7 1,-0.3 3,-1.4 0.825 72.8 61.1 -49.0 -39.7 31.2 15.1 16.9 201 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.877 100.4 54.5 -59.5 -34.9 27.7 16.7 16.7 202 204 A T H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.574 114.2 40.4 -77.6 -6.4 26.2 13.6 18.4 203 205 A L H <> S+ 0 0 0 -3,-1.4 4,-1.0 -4,-0.5 -1,-0.2 0.703 110.4 56.1-105.1 -37.0 28.6 13.9 21.4 204 206 A S H X S+ 0 0 5 -4,-2.7 4,-0.6 1,-0.2 -124,-0.2 0.840 101.3 61.5 -65.3 -30.9 28.5 17.7 21.8 205 207 A W H >X S+ 0 0 0 -4,-1.5 3,-2.1 -5,-0.2 4,-0.9 0.976 102.7 45.7 -63.0 -57.1 24.7 17.5 22.1 206 208 A P H 34 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.767 110.6 56.5 -58.3 -21.9 24.6 15.4 25.3 207 209 A R H 3< S+ 0 0 50 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.604 104.4 54.6 -81.8 -12.2 27.4 17.6 26.8 208 210 A Q H << S+ 0 0 25 -3,-2.1 -1,-0.2 -4,-0.6 -3,-0.1 0.621 77.3 120.4 -93.8 -17.8 25.1 20.6 26.1 209 211 A I S < S- 0 0 14 -4,-0.9 2,-1.8 -3,-0.2 10,-0.1 -0.221 72.1-121.4 -53.4 132.0 22.1 19.2 28.1 210 212 A P + 0 0 2 0, 0.0 -74,-2.8 0, 0.0 2,-0.4 -0.574 58.5 146.5 -77.9 80.7 21.2 21.6 31.0 211 213 A I B > -hI 136 214B 0 -2,-1.8 3,-2.0 3,-1.7 -74,-0.3 -0.963 64.9 -5.2-122.0 138.0 21.6 19.0 33.8 212 214 A A T 3 S- 0 0 52 -76,-2.4 -1,-0.2 -2,-0.4 -75,-0.1 0.868 127.9 -58.7 48.6 41.3 22.8 19.7 37.3 213 215 A G T 3 S+ 0 0 42 -77,-0.4 -1,-0.3 -3,-0.1 6,-0.2 0.307 99.1 144.3 76.7 -8.1 23.5 23.4 36.4 214 216 A T B < +I 211 0B 85 -3,-2.0 -3,-1.7 1,-0.2 -1,-0.1 -0.961 55.1 30.7-124.5 137.8 26.0 22.7 33.6 215 217 A P S > S- 0 0 19 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.464 78.3-159.5 -78.7 141.5 26.5 24.1 31.0 216 218 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.812 85.4 52.9 -56.6 -40.2 25.4 27.4 32.6 217 219 A D H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 113.6 43.4 -65.4 -42.6 24.6 29.3 29.4 218 220 A V H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 111.7 54.5 -68.8 -38.6 22.3 26.6 28.1 219 221 A V H X S+ 0 0 9 -4,-2.3 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