==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-DEC-09 3L1J . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.H.NAM,K.Y.HWANG . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 0 0 2 0 0 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 2 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 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 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 1 A M 0 0 224 0, 0.0 2,-0.1 0, 0.0 261,-0.0 0.000 360.0 360.0 360.0 116.8 -5.2 1.8 -21.8 2 2 A A - 0 0 38 1,-0.1 261,-0.1 2,-0.1 262,-0.0 -0.267 360.0-130.1 -65.1 123.3 -7.8 4.7 -21.5 3 3 A G > - 0 0 18 1,-0.1 4,-1.5 -2,-0.1 5,-0.2 -0.150 27.9-110.9 -55.7 160.2 -11.5 3.9 -21.5 4 4 A P H > S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.810 112.3 60.7 -74.7 -19.0 -13.5 5.9 -23.9 5 5 A E H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.937 106.0 46.3 -72.6 -39.5 -15.4 7.9 -21.2 6 6 A I H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.870 111.0 51.8 -66.3 -41.4 -12.2 9.3 -19.7 7 7 A V H X S+ 0 0 86 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.961 115.7 42.3 -58.7 -51.4 -10.8 10.3 -23.1 8 8 A K H X S+ 0 0 135 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 113.9 50.7 -56.8 -53.0 -14.1 12.1 -23.9 9 9 A L H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.934 109.5 52.4 -56.0 -42.5 -14.4 13.7 -20.4 10 10 A K H X S+ 0 0 25 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.931 108.9 49.3 -59.4 -42.0 -10.8 14.9 -20.8 11 11 A K H X S+ 0 0 128 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.914 111.1 49.6 -65.0 -44.0 -11.6 16.6 -24.1 12 12 A I H X S+ 0 0 62 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.923 111.5 49.1 -58.1 -46.8 -14.8 18.2 -22.6 13 13 A L H X S+ 0 0 26 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.888 113.4 44.8 -63.0 -42.9 -12.8 19.6 -19.7 14 14 A R H >< S+ 0 0 117 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.952 110.2 58.2 -66.2 -43.8 -10.0 21.0 -21.9 15 15 A E H 3< S+ 0 0 139 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 116.0 33.4 -47.7 -46.9 -12.8 22.4 -24.2 16 16 A K H 3< S+ 0 0 139 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.385 89.0 121.0 -99.1 8.7 -14.3 24.4 -21.3 17 17 A A << - 0 0 52 -3,-1.1 176,-0.1 -4,-0.6 -3,-0.0 -0.401 68.8-117.7 -66.5 144.7 -11.2 25.3 -19.3 18 18 A V - 0 0 84 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.675 48.1 -93.7 -75.1 135.4 -10.5 29.0 -18.8 19 19 A P > - 0 0 91 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.273 53.4 -84.2 -53.3 141.2 -7.1 29.6 -20.6 20 20 A P T 3 S+ 0 0 136 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.100 113.6 17.5 -48.8 131.3 -4.0 29.4 -18.3 21 21 A G T 3 S+ 0 0 83 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.646 81.8 137.3 76.3 13.9 -3.4 32.6 -16.4 22 22 A T < - 0 0 71 -3,-1.7 2,-0.9 -4,-0.1 -1,-0.3 -0.814 56.4-129.6 -77.9 133.2 -6.8 34.2 -16.9 23 23 A E - 0 0 179 -2,-0.5 173,-0.0 -3,-0.1 -1,-0.0 -0.778 24.7-167.4 -87.5 103.8 -7.6 35.8 -13.5 24 24 A V - 0 0 45 -2,-0.9 5,-0.1 -6,-0.0 -3,-0.0 -0.850 24.2-120.0 -92.4 122.0 -11.2 34.6 -12.6 25 25 A P >> - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.135 22.7-115.5 -60.6 155.8 -12.7 36.5 -9.7 26 26 A L H 3> S+ 0 0 17 1,-0.3 4,-2.9 2,-0.2 3,-0.3 0.934 113.9 51.0 -60.9 -49.8 -13.6 34.4 -6.6 27 27 A D H 3> S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.776 108.6 54.5 -62.2 -22.5 -17.3 35.0 -6.7 28 28 A V H <> S+ 0 0 75 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.886 110.0 44.6 -77.9 -41.3 -17.3 34.0 -10.4 29 29 A M H X S+ 0 0 54 -4,-1.9 4,-2.7 -3,-0.3 -2,-0.2 0.908 112.7 53.3 -66.9 -42.4 -15.6 30.6 -9.7 30 30 A R H X S+ 0 0 58 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.930 112.4 43.7 -55.4 -48.0 -18.0 30.1 -6.8 31 31 A K H X S+ 0 0 139 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.927 111.5 53.7 -69.6 -41.0 -21.0 30.7 -8.9 32 32 A G H X S+ 0 0 28 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 107.6 50.4 -56.3 -47.1 -19.6 28.5 -11.8 33 33 A M H < S+ 0 0 51 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.915 112.9 47.6 -57.2 -41.7 -19.1 25.6 -9.4 34 34 A E H >< S+ 0 0 67 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.915 111.2 49.0 -65.5 -46.4 -22.7 25.9 -8.2 35 35 A K H 3< S+ 0 0 168 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.8 43.8 -71.8 -28.4 -24.3 26.2 -11.5 36 36 A V T 3< S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.462 85.1 125.5 -91.5 1.3 -22.5 23.1 -13.0 37 37 A A < - 0 0 30 -3,-0.9 2,-0.2 -4,-0.5 49,-0.1 -0.289 64.5-113.0 -66.3 139.9 -23.0 20.9 -10.0 38 38 A F - 0 0 76 47,-0.3 50,-0.6 232,-0.2 2,-0.2 -0.541 27.2-115.9 -68.9 137.7 -24.6 17.5 -10.6 39 39 A K - 0 0 191 -2,-0.2 3,-0.1 48,-0.1 -1,-0.1 -0.514 35.0-110.6 -66.1 134.4 -28.1 16.8 -9.1 40 40 A A - 0 0 22 -2,-0.2 48,-0.1 1,-0.1 -1,-0.1 -0.391 45.8 -84.7 -63.8 148.0 -28.1 14.1 -6.5 41 41 A A > - 0 0 36 47,-0.3 3,-2.3 1,-0.1 -1,-0.1 -0.214 39.5-115.5 -53.1 144.1 -29.8 10.8 -7.5 42 42 A D T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.653 113.4 61.2 -64.6 -15.0 -33.5 11.0 -6.9 43 43 A D T 3 S+ 0 0 81 2,-0.1 2,-0.6 19,-0.0 -1,-0.3 0.386 81.3 101.9 -91.5 7.1 -33.3 8.2 -4.3 44 44 A I < - 0 0 20 -3,-2.3 2,-0.3 17,-0.1 17,-0.2 -0.750 60.3-157.9 -85.2 121.0 -31.0 10.3 -2.1 45 45 A Q E -A 60 0A 121 15,-2.8 15,-2.6 -2,-0.6 2,-0.4 -0.766 7.5-160.2 -98.3 158.2 -32.9 11.8 0.8 46 46 A V E -A 59 0A 56 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.943 13.0-167.8-136.1 148.3 -31.6 14.8 2.6 47 47 A E E -A 58 0A 89 11,-2.1 11,-2.4 -2,-0.4 2,-0.2 -0.944 20.7-133.9-140.3 122.7 -32.1 16.6 5.9 48 48 A Q E +A 57 0A 162 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.503 34.8 163.5 -73.3 131.6 -31.0 20.0 6.8 49 49 A V E -A 56 0A 28 7,-2.5 7,-1.9 -2,-0.2 2,-0.4 -0.931 35.8-124.5-139.3 164.6 -29.2 20.4 10.2 50 50 A T E -A 55 0A 105 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.968 28.7-178.3-113.0 133.5 -27.0 22.9 11.9 51 51 A V E > -A 54 0A 0 3,-3.0 3,-1.9 -2,-0.4 73,-0.1 -0.985 67.3 -21.7-137.5 112.9 -23.8 21.5 13.2 52 52 A A T 3 S- 0 0 44 -2,-0.4 72,-0.1 1,-0.3 3,-0.1 0.884 127.8 -49.7 54.5 42.0 -21.2 23.6 15.2 53 53 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 53,-0.0 -1,-0.3 0.610 118.6 108.5 73.2 11.9 -22.7 26.8 13.8 54 54 A C E < S-A 51 0A 8 -3,-1.9 -3,-3.0 66,-0.1 -1,-0.2 -0.922 72.8-113.3-118.9 147.7 -22.6 25.5 10.1 55 55 A A E +A 50 0A 49 50,-0.4 50,-2.7 -2,-0.4 2,-0.3 -0.434 47.4 162.2 -62.0 146.8 -25.2 24.5 7.8 56 56 A A E -AB 49 104A 3 -7,-1.9 -7,-2.5 48,-0.2 2,-0.4 -0.960 27.5-140.4-158.3 165.7 -25.1 20.8 6.9 57 57 A E E -AB 48 103A 11 46,-1.2 46,-3.4 -2,-0.3 2,-0.5 -0.990 15.6-133.2-130.4 138.9 -27.2 18.0 5.5 58 58 A W E -AB 47 102A 22 -11,-2.4 -11,-2.1 -2,-0.4 2,-0.6 -0.820 29.2-157.4 -73.1 125.5 -27.5 14.4 6.5 59 59 A V E -AB 46 101A 0 42,-3.0 42,-2.8 -2,-0.5 2,-0.5 -0.976 12.7-176.4-116.3 115.5 -27.3 12.7 3.1 60 60 A R E -A 45 0A 56 -15,-2.6 -15,-2.8 -2,-0.6 40,-0.1 -0.931 10.2-169.6-126.5 107.2 -28.9 9.3 3.1 61 61 A A > - 0 0 6 -2,-0.5 3,-0.6 38,-0.3 2,-0.1 -0.188 48.7 -79.5 -68.0 170.0 -28.9 6.9 0.1 62 62 A P T 3 S+ 0 0 64 0, 0.0 36,-0.2 0, 0.0 -1,-0.2 -0.506 115.7 42.8 -69.0 152.2 -31.1 3.8 0.4 63 63 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.658 74.1 163.3 84.2 18.3 -29.5 1.0 2.5 64 64 A C < - 0 0 43 -3,-0.6 2,-0.3 35,-0.1 35,-0.2 -0.571 32.3-134.9 -77.2 125.5 -28.2 3.1 5.4 65 65 A Q > - 0 0 101 33,-3.0 3,-1.2 -2,-0.4 35,-0.4 -0.568 22.0-114.3 -75.2 132.1 -27.3 1.2 8.5 66 66 A A T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.397 100.1 27.0 -56.6 136.9 -28.5 2.7 11.9 67 67 A G T 3 S+ 0 0 37 1,-0.2 67,-0.4 -2,-0.1 2,-0.3 0.082 97.8 107.1 98.9 -23.6 -25.5 3.8 14.1 68 68 A K < + 0 0 23 -3,-1.2 32,-0.8 30,-0.2 2,-0.3 -0.671 40.8 169.3 -93.9 142.5 -23.1 4.5 11.2 69 69 A A E -cd 100 138A 0 68,-1.9 70,-1.5 -2,-0.3 2,-0.5 -0.997 23.9-149.7-148.2 149.7 -22.0 8.0 9.9 70 70 A I E -cd 101 139A 0 30,-1.9 32,-4.1 -2,-0.3 2,-0.8 -0.977 13.3-146.8-113.8 124.6 -19.5 9.7 7.6 71 71 A L E -cd 102 140A 0 68,-2.8 70,-2.5 -2,-0.5 2,-0.5 -0.882 27.5-158.8 -80.2 115.3 -18.2 13.2 8.3 72 72 A Y E -cd 103 141A 0 30,-3.0 32,-1.6 -2,-0.8 2,-0.6 -0.872 12.0-165.5-106.0 127.7 -17.8 14.5 4.7 73 73 A L E - d 0 142A 0 68,-3.0 70,-1.2 -2,-0.5 77,-0.2 -0.910 17.6-143.3-114.6 109.1 -15.4 17.4 4.0 74 74 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.5 75,-0.1 -0.176 8.2-124.0 -73.3 150.7 -15.9 18.9 0.5 75 75 A G + 0 0 0 70,-0.2 69,-0.1 71,-0.1 -1,-0.1 -0.139 52.1 127.6 -80.8-173.3 -13.3 20.3 -1.9 76 76 A G S >> S- 0 0 13 5,-0.1 3,-2.1 67,-0.1 4,-2.0 0.492 88.8 -84.2 125.0 21.3 -13.1 23.7 -3.5 77 77 A G T 34 S- 0 0 2 1,-0.3 127,-0.2 2,-0.2 -2,-0.1 0.644 75.8 -73.5 68.8 15.8 -9.6 24.8 -2.6 78 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-2.9 -4,-0.2 -1,-0.3 0.430 134.1 74.8 68.2 3.4 -10.7 26.0 0.9 79 79 A V T <4 S+ 0 0 0 -3,-2.1 2,-0.2 29,-0.2 -2,-0.2 0.560 101.2 7.7-117.0 -17.2 -12.3 29.0 -1.0 80 80 A M S < S+ 0 0 21 -4,-2.0 -2,-0.3 -51,-0.1 29,-0.1 -0.777 72.8 92.9-152.3-166.8 -15.4 27.6 -2.7 81 81 A G - 0 0 7 -2,-0.2 2,-0.3 -51,-0.2 -5,-0.1 -0.034 41.3-170.9 82.7 158.9 -17.6 24.4 -2.9 82 82 A S > - 0 0 14 1,-0.1 4,-1.4 -7,-0.1 5,-0.1 -0.931 45.5 -76.1-164.3-179.8 -20.7 23.8 -0.8 83 83 A I H > S+ 0 0 18 -2,-0.3 4,-1.7 1,-0.2 3,-0.4 0.921 128.6 55.2 -55.6 -48.5 -23.3 21.2 0.2 84 84 A N H 4 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.942 105.6 50.4 -53.3 -48.1 -24.9 21.8 -3.2 85 85 A T H 4 S+ 0 0 21 1,-0.2 -47,-0.3 2,-0.1 4,-0.2 0.840 121.0 32.3 -65.2 -29.2 -21.7 21.1 -5.1 86 86 A H H X S+ 0 0 12 -4,-1.4 4,-2.5 -3,-0.4 5,-0.3 0.522 87.0 100.2-109.7 -3.0 -20.9 17.8 -3.4 87 87 A R H X S+ 0 0 54 -4,-1.7 4,-2.2 -3,-0.4 -1,-0.1 0.850 84.7 49.6 -50.3 -42.9 -24.4 16.4 -2.6 88 88 A S H > S+ 0 0 6 -50,-0.6 4,-2.1 -4,-0.4 -47,-0.3 0.920 113.8 40.6 -63.9 -57.7 -24.4 14.0 -5.6 89 89 A M H > S+ 0 0 5 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 117.0 51.4 -58.1 -41.4 -21.0 12.3 -5.1 90 90 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.881 104.7 56.7 -70.0 -35.0 -21.6 12.2 -1.4 91 91 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -30,-0.2 0.954 109.5 46.3 -57.3 -49.0 -25.0 10.5 -2.1 92 92 A E H X S+ 0 0 33 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.820 109.3 53.1 -64.5 -31.8 -23.1 7.8 -4.0 93 93 A I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.927 110.3 49.3 -69.6 -38.2 -20.5 7.4 -1.2 94 94 A S H X>S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 5,-1.2 0.912 111.2 49.7 -61.4 -42.8 -23.5 6.9 1.2 95 95 A R H <5S+ 0 0 73 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.954 114.5 43.9 -57.2 -51.8 -25.0 4.3 -1.2 96 96 A A H <5S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 120.2 39.8 -71.7 -28.7 -21.8 2.4 -1.5 97 97 A S H <5S- 0 0 1 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.497 98.9-130.4 -99.3 -9.0 -20.9 2.5 2.2 98 98 A Q T <5S+ 0 0 86 -4,-1.3 -33,-3.0 -3,-0.5 2,-0.3 0.850 72.1 112.2 58.6 39.4 -24.5 1.9 3.6 99 99 A A S - 0 0 27 -29,-0.1 4,-2.0 -3,-0.1 -29,-0.2 -0.760 16.9 -85.1-110.1 151.2 -14.4 29.2 3.7 109 109 A A T 4 S+ 0 0 1 -31,-2.9 95,-0.2 -2,-0.3 94,-0.1 -0.566 96.5 31.3 -86.6 156.5 -11.6 31.5 3.0 110 110 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.995 126.5 44.1 -83.6 -10.0 -10.9 34.4 2.4 111 111 A E T 4 S+ 0 0 106 1,-0.3 -2,-0.2 -3,-0.2 -32,-0.0 0.853 134.0 22.5 -58.5 -38.1 -13.8 35.5 4.7 112 112 A H S < S- 0 0 84 -4,-2.0 -1,-0.3 3,-0.0 5,-0.3 -0.793 89.3-165.7-128.9 90.0 -12.7 32.9 7.2 113 113 A P > - 0 0 40 0, 0.0 3,-2.5 0, 0.0 92,-0.2 -0.091 37.9 -28.2 -72.2 173.2 -9.1 32.0 6.8 114 114 A F T 3 S+ 0 0 23 90,-2.9 94,-0.1 1,-0.3 101,-0.1 -0.314 123.0 31.8 -43.6 138.5 -7.2 29.0 8.3 115 115 A P T 3> S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 -0.860 97.8 85.9 -98.1 30.7 -7.8 27.5 10.8 116 116 A A H <> S+ 0 0 6 -3,-2.5 4,-2.6 1,-0.2 -9,-0.3 0.899 93.0 49.0 -56.0 -44.0 -11.5 28.2 10.6 117 117 A A H > S+ 0 0 1 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.897 111.7 48.6 -63.0 -39.8 -12.1 25.1 8.4 118 118 A V H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.958 110.5 52.1 -66.9 -46.8 -10.1 22.8 10.7 119 119 A E H X S+ 0 0 105 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 110.4 48.5 -51.0 -48.9 -12.1 24.2 13.7 120 120 A D H X S+ 0 0 8 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.923 111.7 48.8 -61.3 -43.7 -15.4 23.5 11.9 121 121 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 113.4 45.9 -61.9 -45.2 -14.3 19.8 11.1 122 122 A V H X S+ 0 0 6 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.933 113.9 48.8 -64.0 -46.3 -13.2 19.0 14.6 123 123 A A H X S+ 0 0 36 -4,-2.5 4,-3.1 -5,-0.3 -2,-0.2 0.905 110.6 51.8 -64.0 -33.7 -16.3 20.6 16.1 124 124 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.890 111.7 45.9 -68.1 -39.9 -18.5 18.6 13.6 125 125 A Y H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.961 112.0 50.6 -63.6 -55.7 -16.7 15.4 14.6 126 126 A R H X S+ 0 0 90 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.924 108.9 54.7 -42.3 -49.6 -17.1 16.3 18.3 127 127 A W H X S+ 0 0 51 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.934 105.7 50.1 -52.2 -51.0 -20.8 16.9 17.4 128 128 A L H X>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 4,-0.6 0.913 111.5 48.8 -55.3 -46.6 -21.1 13.4 16.0 129 129 A L H ><5S+ 0 0 33 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.949 110.8 50.4 -55.7 -51.6 -19.6 12.0 19.2 130 130 A D H 3<5S+ 0 0 130 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.796 104.4 58.2 -54.3 -34.4 -22.0 14.1 21.4 131 131 A Q H 3<5S- 0 0 113 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.621 126.2-104.3 -73.7 -15.4 -25.0 12.8 19.3 132 132 A G T <<5 + 0 0 52 -3,-1.4 2,-0.3 -4,-0.6 -3,-0.2 0.520 68.1 149.6 106.6 10.4 -23.9 9.4 20.4 133 133 A F < - 0 0 46 -5,-2.2 -1,-0.3 1,-0.1 -65,-0.1 -0.570 49.1-123.0 -70.1 131.0 -22.2 7.9 17.3 134 134 A K > - 0 0 114 -67,-0.4 3,-2.7 -2,-0.3 4,-0.2 -0.620 13.2-125.3 -73.6 140.6 -19.5 5.5 18.5 135 135 A P G > S+ 0 0 29 0, 0.0 3,-1.3 0, 0.0 31,-1.0 0.843 113.6 57.3 -52.3 -32.5 -16.0 6.4 17.2 136 136 A Q G 3 S+ 0 0 105 1,-0.3 -2,-0.0 29,-0.2 -68,-0.0 0.573 104.7 51.6 -75.6 -8.7 -15.9 2.8 15.8 137 137 A H G < S+ 0 0 64 -3,-2.7 -68,-1.9 -70,-0.1 2,-0.3 0.220 100.1 88.2-105.1 9.9 -19.1 3.5 13.8 138 138 A L E < -d 69 0A 1 -3,-1.3 28,-1.8 -4,-0.2 29,-0.7 -0.755 48.9-177.7-113.5 153.6 -17.7 6.7 12.2 139 139 A S E -de 70 167A 1 -70,-1.5 -68,-2.8 -2,-0.3 2,-0.4 -0.975 14.0-147.9-143.8 153.1 -15.6 7.5 9.2 140 140 A I E +de 71 168A 1 27,-1.4 29,-2.9 -2,-0.3 2,-0.3 -0.994 23.8 165.7-124.9 134.0 -14.2 10.8 7.8 141 141 A S E +de 72 169A 0 -70,-2.5 -68,-3.0 -2,-0.4 2,-0.3 -0.973 1.9 159.9-145.2 158.3 -13.8 11.4 4.0 142 142 A G E -de 73 170A 0 27,-1.6 29,-3.3 -2,-0.3 2,-0.4 -0.973 27.8-122.2-173.4 159.2 -13.2 14.5 1.8 143 143 A D E > - e 0 171A 7 -70,-1.2 3,-2.1 -2,-0.3 29,-0.2 -0.944 65.7 -33.9-122.3 137.1 -12.0 15.5 -1.6 144 144 A S T >> S+ 0 0 14 27,-3.1 30,-2.3 -2,-0.4 4,-1.6 -0.414 139.9 6.3 67.5-127.4 -9.1 17.7 -2.7 145 145 A A H 3> S+ 0 0 0 1,-0.3 4,-2.5 28,-0.2 -1,-0.3 0.902 136.8 56.2 -45.5 -44.6 -8.8 20.6 -0.1 146 146 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 -2,-0.3 0.826 101.3 56.4 -60.3 -32.0 -11.4 18.5 1.8 147 147 A G H <> S+ 0 0 0 -3,-0.8 4,-0.9 24,-0.3 -1,-0.2 0.869 108.5 44.5 -73.6 -38.9 -9.1 15.5 1.7 148 148 A G H X S+ 0 0 0 -4,-1.6 4,-3.1 -3,-0.2 3,-0.3 0.872 110.5 56.7 -60.5 -44.3 -6.2 17.4 3.4 149 149 A L H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.2 5,-0.3 0.878 98.5 60.2 -56.6 -40.4 -8.8 18.7 5.8 150 150 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 112.3 40.4 -45.4 -46.3 -9.8 15.1 6.6 151 151 A L H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.916 114.3 49.8 -78.9 -47.2 -6.1 14.7 7.8 152 152 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.930 111.1 51.2 -54.7 -50.1 -5.9 18.1 9.5 153 153 A V H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.916 110.8 48.9 -54.6 -41.7 -9.1 17.3 11.3 154 154 A L H X S+ 0 0 1 -4,-2.0 4,-3.4 -5,-0.3 -1,-0.2 0.945 113.3 45.3 -62.5 -53.3 -7.8 13.9 12.5 155 155 A V H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.949 115.7 46.6 -52.6 -54.1 -4.4 15.4 13.7 156 156 A S H X S+ 0 0 7 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.928 114.7 47.7 -59.3 -48.9 -6.1 18.3 15.5 157 157 A A H ><>S+ 0 0 1 -4,-2.8 5,-2.3 -5,-0.3 3,-0.6 0.919 110.8 51.2 -52.7 -49.1 -8.7 15.9 17.1 158 158 A R H ><5S+ 0 0 53 -4,-3.4 3,-1.8 1,-0.2 -2,-0.2 0.946 109.0 50.8 -56.2 -48.4 -6.0 13.5 18.1 159 159 A D H 3<5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 109.3 52.8 -59.9 -24.8 -4.0 16.4 19.8 160 160 A Q T <<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.305 121.3-106.2 -98.3 8.9 -7.2 17.5 21.7 161 161 A G T < 5 + 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.529 68.7 146.3 82.4 12.4 -7.8 13.9 23.1 162 162 A L < - 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