==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-08 3FAK . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.4 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 . 22 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 225 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-102.9 -5.8 1.7 -22.9 2 2 A A - 0 0 26 1,-0.1 263,-0.1 2,-0.0 5,-0.0 -0.678 360.0-109.4 -86.9 133.9 -8.0 4.5 -21.6 3 3 A G > - 0 0 22 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.136 25.6-117.4 -54.9 154.5 -11.7 4.0 -21.6 4 4 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.811 112.1 61.2 -66.7 -25.4 -13.7 6.1 -24.1 5 5 A E H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.944 105.6 43.2 -64.8 -49.7 -15.4 7.9 -21.2 6 6 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 113.6 53.0 -64.1 -40.6 -12.3 9.3 -19.7 7 7 A V H X S+ 0 0 81 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.940 114.2 40.8 -60.3 -49.2 -11.0 10.3 -23.1 8 8 A K H X S+ 0 0 139 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.865 113.9 54.8 -68.2 -35.2 -14.1 12.2 -24.0 9 9 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.931 107.4 48.6 -63.2 -46.1 -14.4 13.6 -20.4 10 10 A K H X S+ 0 0 26 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.876 110.9 52.9 -61.1 -36.1 -10.8 15.0 -20.6 11 11 A K H X S+ 0 0 157 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.959 110.5 45.6 -62.1 -53.2 -11.8 16.5 -24.0 12 12 A I H X S+ 0 0 59 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.861 112.3 51.6 -58.8 -40.6 -14.9 18.2 -22.6 13 13 A L H X S+ 0 0 33 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.874 109.2 49.3 -67.4 -37.9 -13.0 19.5 -19.6 14 14 A R H < S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 109.4 53.4 -69.5 -33.3 -10.2 21.1 -21.6 15 15 A E H < S+ 0 0 148 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.2 38.9 -66.6 -43.3 -12.8 22.8 -23.9 16 16 A K H < S+ 0 0 150 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.599 91.7 112.0 -84.5 -12.8 -14.6 24.4 -21.0 17 17 A A S < S- 0 0 33 -4,-1.2 176,-0.1 -5,-0.1 -3,-0.0 -0.309 71.8-117.6 -64.2 143.4 -11.5 25.2 -19.0 18 18 A V - 0 0 68 1,-0.1 3,-0.1 4,-0.1 -1,-0.1 -0.633 42.9 -91.3 -81.5 138.6 -10.6 28.9 -18.6 19 19 A P > - 0 0 84 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.148 49.8 -96.2 -50.4 136.2 -7.2 29.9 -20.2 20 20 A P T 3 S+ 0 0 123 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.221 109.6 25.4 -54.4 141.1 -4.2 29.6 -17.8 21 21 A G T 3 S+ 0 0 76 1,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.182 86.1 124.4 97.7 -42.9 -3.3 32.9 -16.2 22 22 A T < - 0 0 74 -3,-1.4 2,-0.8 -2,-0.2 -1,-0.3 -0.316 59.4-136.6 -54.9 125.9 -6.8 34.4 -16.5 23 23 A E - 0 0 166 -3,-0.1 -1,-0.1 -2,-0.0 3,-0.0 -0.799 15.8-161.5 -92.6 111.3 -7.9 35.5 -13.1 24 24 A V - 0 0 46 -2,-0.8 5,-0.1 1,-0.1 -6,-0.0 -0.812 26.7-114.4 -92.2 124.7 -11.4 34.5 -12.4 25 25 A P > - 0 0 74 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.178 25.5-116.9 -53.8 151.6 -13.0 36.5 -9.5 26 26 A L H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 112.9 51.0 -60.3 -48.9 -13.8 34.3 -6.5 27 27 A D H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 109.7 53.6 -59.7 -29.6 -17.6 34.9 -6.5 28 28 A V H > S+ 0 0 71 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 110.2 45.4 -70.3 -43.0 -17.6 34.0 -10.2 29 29 A M H X S+ 0 0 58 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.927 113.0 51.7 -65.4 -42.8 -15.8 30.7 -9.5 30 30 A R H X S+ 0 0 58 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.901 113.1 43.5 -59.8 -44.4 -18.1 30.0 -6.6 31 31 A K H X S+ 0 0 130 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.845 111.9 54.5 -72.1 -32.3 -21.2 30.6 -8.7 32 32 A G H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 108.3 48.1 -66.0 -44.1 -19.8 28.6 -11.6 33 33 A M H < S+ 0 0 48 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.895 113.9 47.4 -62.8 -41.1 -19.2 25.6 -9.4 34 34 A E H >< S+ 0 0 69 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.927 110.9 52.6 -64.7 -45.9 -22.7 25.8 -7.9 35 35 A K H 3< S+ 0 0 171 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.3 39.7 -59.6 -41.5 -24.2 26.2 -11.4 36 36 A V T 3< S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.382 85.1 127.9 -92.4 3.8 -22.6 23.1 -12.9 37 37 A A < - 0 0 29 -3,-0.9 2,-0.2 -4,-0.5 49,-0.1 -0.333 64.5-111.7 -62.8 139.6 -23.0 20.9 -9.9 38 38 A F - 0 0 81 47,-0.4 50,-0.5 234,-0.1 2,-0.3 -0.481 27.0-117.6 -73.5 141.8 -24.6 17.5 -10.6 39 39 A K - 0 0 199 -2,-0.2 3,-0.1 48,-0.1 -1,-0.1 -0.601 35.8-112.3 -77.5 137.0 -28.1 16.9 -9.2 40 40 A A - 0 0 17 -2,-0.3 48,-0.1 1,-0.1 -1,-0.1 -0.317 43.2 -81.1 -69.4 155.0 -28.1 14.0 -6.7 41 41 A A > - 0 0 32 47,-0.3 3,-2.1 1,-0.1 -1,-0.1 -0.190 39.9-115.7 -54.4 146.1 -30.0 10.8 -7.5 42 42 A D T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.692 113.6 57.5 -60.1 -19.6 -33.7 10.9 -7.0 43 43 A D T 3 S+ 0 0 67 2,-0.1 2,-0.6 19,-0.0 -1,-0.3 0.324 80.1 102.9 -95.6 10.2 -33.5 8.2 -4.3 44 44 A I < - 0 0 18 -3,-2.1 2,-0.4 17,-0.1 17,-0.2 -0.820 59.5-158.4 -91.4 118.8 -31.0 10.2 -2.1 45 45 A Q E -A 60 0A 121 15,-2.7 15,-2.9 -2,-0.6 2,-0.3 -0.821 8.7-165.1-101.1 149.7 -33.0 11.7 0.8 46 46 A V E -A 59 0A 59 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.890 12.5-163.8-136.2 151.1 -31.5 14.7 2.6 47 47 A E E -A 58 0A 85 11,-1.7 11,-2.7 -2,-0.3 2,-0.2 -0.962 20.4-132.9-142.0 119.5 -32.2 16.5 5.9 48 48 A Q E +A 57 0A 164 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.518 36.8 160.6 -73.6 136.0 -31.0 19.9 6.7 49 49 A V E -A 56 0A 27 7,-2.8 7,-2.0 -2,-0.2 2,-0.5 -0.960 36.2-123.2-147.5 158.0 -29.3 20.3 10.1 50 50 A T E -A 55 0A 112 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.952 27.8-177.0-115.2 131.6 -27.0 22.7 11.8 51 51 A V E > -A 54 0A 0 3,-2.8 3,-2.3 -2,-0.5 73,-0.1 -0.984 65.7 -17.7-127.5 123.8 -23.8 21.4 13.2 52 52 A A T 3 S- 0 0 42 -2,-0.4 -1,-0.1 1,-0.3 72,-0.1 0.906 128.1 -51.2 48.9 47.5 -21.1 23.3 15.1 53 53 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.544 119.4 111.1 70.6 6.3 -22.6 26.6 13.9 54 54 A C E < S-A 51 0A 9 -3,-2.3 -3,-2.8 66,-0.1 -1,-0.2 -0.836 72.8-114.7-114.0 150.8 -22.5 25.4 10.3 55 55 A A E +A 50 0A 53 50,-0.5 50,-2.6 -2,-0.3 2,-0.3 -0.535 47.5 165.4 -75.2 149.1 -25.2 24.5 7.9 56 56 A A E -AB 49 104A 3 -7,-2.0 -7,-2.8 48,-0.2 2,-0.4 -0.974 28.1-139.9-158.5 167.0 -25.2 20.8 7.0 57 57 A E E -AB 48 103A 10 46,-1.5 46,-2.9 -2,-0.3 2,-0.6 -1.000 15.6-134.7-137.4 136.9 -27.2 18.0 5.5 58 58 A W E -AB 47 102A 22 -11,-2.7 -11,-1.7 -2,-0.4 2,-0.7 -0.825 28.0-158.0 -84.8 126.2 -27.6 14.4 6.4 59 59 A V E +AB 46 101A 0 42,-3.3 42,-2.3 -2,-0.6 2,-0.6 -0.923 14.8 179.3-112.6 106.0 -27.2 12.7 3.1 60 60 A R E -A 45 0A 59 -15,-2.9 -15,-2.7 -2,-0.7 40,-0.1 -0.922 11.1-170.1-117.0 116.9 -28.9 9.2 3.1 61 61 A A > - 0 0 5 -2,-0.6 3,-0.8 38,-0.3 -17,-0.1 -0.406 47.2 -79.2 -87.5 171.2 -29.0 6.9 0.2 62 62 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 36,-0.2 -0.416 114.1 40.5 -71.3 154.1 -31.2 3.8 0.5 63 63 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 35,-0.1 -2,-0.0 0.615 74.4 160.4 88.0 13.1 -29.7 0.9 2.4 64 64 A C < - 0 0 39 -3,-0.8 2,-0.3 35,-0.1 35,-0.3 -0.525 36.6-130.5 -75.7 133.3 -28.1 2.9 5.2 65 65 A Q > - 0 0 107 33,-2.8 3,-1.3 -2,-0.3 35,-0.4 -0.637 24.3-116.4 -81.9 132.9 -27.3 1.1 8.4 66 66 A A T 3 S+ 0 0 79 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.401 97.1 31.4 -68.4 144.9 -28.5 2.7 11.7 67 67 A G T 3 S+ 0 0 39 1,-0.3 67,-0.4 -2,-0.1 2,-0.3 0.242 99.5 98.9 93.9 -14.1 -25.7 3.7 14.1 68 68 A K < + 0 0 43 -3,-1.3 32,-0.8 30,-0.1 2,-0.3 -0.810 43.8 169.7-111.5 150.7 -23.2 4.5 11.4 69 69 A A E -cd 100 138A 0 68,-1.8 70,-1.2 -2,-0.3 2,-0.4 -0.997 24.7-141.6-156.1 156.2 -22.1 7.8 9.8 70 70 A I E -cd 101 139A 0 30,-1.8 32,-3.9 -2,-0.3 2,-0.8 -0.976 13.2-146.3-119.9 126.9 -19.6 9.5 7.6 71 71 A L E -cd 102 140A 0 68,-3.0 70,-2.6 -2,-0.4 2,-0.5 -0.861 27.0-160.6 -90.4 116.6 -18.3 13.0 8.3 72 72 A Y E -cd 103 141A 0 30,-2.8 32,-1.5 -2,-0.8 2,-0.6 -0.888 13.8-165.1-109.5 129.4 -17.8 14.3 4.8 73 73 A L E - d 0 142A 0 68,-3.0 70,-1.1 -2,-0.5 77,-0.1 -0.915 19.1-141.5-113.6 109.2 -15.5 17.3 4.0 74 74 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.4 75,-0.1 -0.195 11.3-122.7 -70.2 155.3 -16.1 18.7 0.5 75 75 A G + 0 0 1 70,-0.2 69,-0.2 71,-0.1 -1,-0.1 -0.203 53.9 125.1 -86.0-177.0 -13.4 20.0 -1.9 76 76 A G S >> S- 0 0 14 67,-0.1 4,-2.2 5,-0.1 3,-2.0 0.535 88.5 -84.0 131.2 27.2 -13.1 23.5 -3.4 77 77 A G T 34 S- 0 0 6 1,-0.3 129,-0.2 2,-0.2 -2,-0.1 0.652 76.0 -74.1 54.9 23.5 -9.6 24.6 -2.4 78 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-2.9 -4,-0.2 -1,-0.3 0.502 133.0 73.1 69.4 5.4 -10.8 25.9 1.0 79 79 A V T <4 S+ 0 0 0 -3,-2.0 2,-0.2 29,-0.2 -2,-0.2 0.545 100.6 13.6-122.5 -15.9 -12.4 28.8 -0.8 80 80 A M S < S+ 0 0 20 -4,-2.2 -2,-0.3 -51,-0.0 -1,-0.1 -0.788 73.0 85.5-145.5-170.0 -15.5 27.4 -2.6 81 81 A G - 0 0 7 -2,-0.2 2,-0.3 -51,-0.1 -5,-0.1 -0.032 43.2-168.8 90.7 160.7 -17.7 24.4 -2.8 82 82 A S > - 0 0 12 1,-0.1 4,-1.3 -7,-0.1 5,-0.1 -0.935 44.3 -73.4-166.4-174.8 -20.8 23.6 -0.7 83 83 A I H > S+ 0 0 18 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 0.925 129.1 51.5 -59.5 -45.5 -23.4 21.0 0.3 84 84 A N H 4 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.871 105.4 52.4 -62.0 -42.0 -24.9 21.6 -3.1 85 85 A T H 4 S+ 0 0 20 1,-0.2 -47,-0.4 2,-0.1 -1,-0.2 0.801 121.2 31.9 -69.5 -23.4 -21.8 21.0 -5.1 86 86 A H H X S+ 0 0 11 -4,-1.3 4,-2.7 -3,-0.4 5,-0.3 0.485 87.1 99.4-112.2 -2.4 -21.0 17.7 -3.5 87 87 A R H X S+ 0 0 53 -4,-1.4 4,-1.6 1,-0.2 -2,-0.1 0.819 83.9 51.5 -53.8 -38.2 -24.5 16.3 -2.7 88 88 A S H > S+ 0 0 6 -50,-0.5 4,-1.7 -4,-0.4 -47,-0.3 0.961 114.4 39.7 -65.6 -54.2 -24.5 14.0 -5.7 89 89 A M H > S+ 0 0 8 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 116.2 51.7 -63.1 -39.6 -21.1 12.3 -5.1 90 90 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.844 105.5 56.5 -67.8 -32.5 -21.7 12.1 -1.4 91 91 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.913 108.4 47.0 -64.2 -41.7 -25.1 10.5 -2.0 92 92 A E H X S+ 0 0 34 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.805 109.8 52.3 -70.5 -29.8 -23.3 7.8 -4.0 93 93 A I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.889 109.0 51.1 -72.1 -36.8 -20.6 7.3 -1.3 94 94 A S H X>S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.2 4,-1.1 0.884 109.4 51.7 -64.0 -38.4 -23.5 6.9 1.2 95 95 A R H <5S+ 0 0 76 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.929 112.9 43.2 -63.6 -47.7 -25.0 4.3 -1.2 96 96 A A H <5S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.812 119.5 41.6 -70.1 -33.5 -21.8 2.2 -1.5 97 97 A S H <5S- 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.539 99.5-132.6 -91.8 -9.3 -20.9 2.4 2.2 98 98 A Q T <5S+ 0 0 85 -4,-1.1 -33,-2.8 1,-0.2 2,-0.3 0.911 70.2 111.6 56.9 43.4 -24.5 1.8 3.4 99 99 A A S - 0 0 25 -29,-0.1 4,-2.2 -3,-0.1 -29,-0.2 -0.747 17.0 -87.4-110.8 156.8 -14.4 29.1 3.8 109 109 A A T 4 S+ 0 0 0 -31,-2.9 97,-0.2 -2,-0.3 96,-0.1 -0.561 95.8 34.2 -91.1 161.4 -11.6 31.5 3.1 110 110 A P T 4 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.996 127.3 44.0 -77.9 -12.4 -10.8 34.3 2.5 111 111 A E T 4 S+ 0 0 104 1,-0.3 -2,-0.2 -32,-0.1 -32,-0.0 0.881 134.4 20.0 -57.9 -40.5 -13.7 35.3 4.8 112 112 A H S < S- 0 0 86 -4,-2.2 -1,-0.3 3,-0.0 5,-0.3 -0.818 89.6-167.0-131.2 89.6 -12.7 32.7 7.4 113 113 A P > - 0 0 36 0, 0.0 3,-2.2 0, 0.0 94,-0.2 -0.129 37.3 -23.8 -73.2 173.9 -9.1 31.7 6.8 114 114 A F T 3 S+ 0 0 22 92,-3.2 96,-0.1 1,-0.3 103,-0.1 -0.225 122.8 28.9 -48.2 142.9 -7.2 28.8 8.3 115 115 A P T 3> S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 -0.825 98.7 87.7 -96.2 30.9 -7.7 27.2 10.8 116 116 A A H <> S+ 0 0 6 -3,-2.2 4,-2.3 1,-0.2 -9,-0.3 0.920 91.1 48.9 -53.1 -49.4 -11.5 28.0 10.6 117 117 A A H > S+ 0 0 1 -5,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.880 111.6 49.5 -59.5 -39.7 -12.2 24.9 8.4 118 118 A V H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.920 108.8 52.0 -67.2 -43.6 -10.2 22.6 10.7 119 119 A E H X S+ 0 0 105 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.921 111.2 48.3 -59.0 -43.4 -12.1 23.9 13.8 120 120 A D H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.916 111.2 49.7 -63.6 -43.5 -15.4 23.2 12.0 121 121 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 113.5 45.3 -60.2 -47.6 -14.4 19.7 11.0 122 122 A V H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.907 113.2 50.6 -62.7 -41.8 -13.2 18.8 14.5 123 123 A A H X S+ 0 0 32 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.872 109.2 51.2 -64.4 -37.1 -16.3 20.4 16.0 124 124 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 110.2 49.2 -67.0 -40.2 -18.5 18.4 13.6 125 125 A Y H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 111.4 49.0 -63.5 -46.6 -16.7 15.2 14.6 126 126 A R H X S+ 0 0 91 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.906 108.9 54.9 -57.1 -42.4 -17.2 16.1 18.3 127 127 A W H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 106.5 50.0 -57.8 -44.5 -20.9 16.7 17.4 128 128 A L H X>S+ 0 0 1 -4,-2.2 5,-2.0 2,-0.2 4,-0.7 0.914 111.8 47.3 -61.8 -44.4 -21.2 13.2 16.0 129 129 A L H ><5S+ 0 0 33 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.918 112.6 50.4 -63.8 -41.1 -19.7 11.6 19.1 130 130 A D H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 102.4 60.4 -66.4 -30.9 -22.0 13.8 21.2 131 131 A Q H 3<5S- 0 0 105 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.719 127.5 -99.2 -69.1 -19.4 -25.0 12.7 19.2 132 132 A G T <<5S+ 0 0 53 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.401 73.5 144.7 117.8 -2.5 -24.2 9.1 20.3 133 133 A F < - 0 0 43 -5,-2.0 -1,-0.3 1,-0.1 -65,-0.1 -0.533 48.7-126.1 -70.6 132.0 -22.3 7.7 17.3 134 134 A K > - 0 0 113 -67,-0.4 3,-2.1 -2,-0.3 4,-0.2 -0.525 12.9-123.8 -78.1 145.0 -19.6 5.3 18.4 135 135 A P G > S+ 0 0 27 0, 0.0 3,-1.7 0, 0.0 31,-1.2 0.888 113.8 56.5 -54.2 -39.5 -16.0 6.0 17.1 136 136 A Q G 3 S+ 0 0 103 1,-0.3 -68,-0.0 29,-0.2 -2,-0.0 0.577 105.7 51.5 -69.8 -9.4 -16.0 2.5 15.7 137 137 A H G < S+ 0 0 62 -3,-2.1 -68,-1.8 -70,-0.1 -1,-0.3 0.220 99.8 89.3-108.8 9.8 -19.1 3.2 13.7 138 138 A L E < +d 69 0A 1 -3,-1.7 28,-1.6 -70,-0.2 29,-0.7 -0.735 47.0 179.2-112.0 159.5 -17.7 6.4 12.2 139 139 A S E -de 70 167A 1 -70,-1.2 -68,-3.0 -2,-0.3 2,-0.4 -0.980 14.9-147.9-151.4 150.1 -15.6 7.3 9.1 140 140 A I E +de 71 168A 1 27,-1.6 29,-2.5 -2,-0.3 2,-0.3 -0.984 24.3 164.9-124.8 135.0 -14.3 10.6 7.7 141 141 A S E +de 72 169A 0 -70,-2.6 -68,-3.0 -2,-0.4 2,-0.3 -0.972 2.1 153.9-146.2 159.2 -13.9 11.3 4.0 142 142 A G E -de 73 170A 0 27,-1.4 29,-3.3 -2,-0.3 2,-0.4 -0.948 30.3-114.7-178.9 160.7 -13.4 14.2 1.7 143 143 A D E > - e 0 171A 8 -70,-1.1 3,-2.6 -2,-0.3 29,-0.2 -0.882 66.0 -36.1-118.0 141.4 -12.0 15.3 -1.7 144 144 A S T >> S+ 0 0 11 27,-3.3 30,-2.0 -2,-0.4 4,-1.8 -0.339 139.0 9.2 57.6-120.5 -9.2 17.5 -2.7 145 145 A A H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.894 136.8 54.9 -54.6 -35.1 -8.9 20.4 -0.2 146 146 A G H <> S+ 0 0 0 -3,-2.6 4,-1.3 1,-0.2 -2,-0.3 0.817 101.0 56.5 -65.8 -33.1 -11.4 18.3 1.7 147 147 A G H <> S+ 0 0 0 -3,-0.8 4,-1.2 24,-0.3 -1,-0.2 0.879 108.9 45.5 -66.8 -40.1 -9.1 15.3 1.5 148 148 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-0.3 0.919 109.5 56.4 -67.5 -41.9 -6.4 17.2 3.3 149 149 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.795 98.6 61.5 -57.7 -33.0 -8.9 18.5 5.8 150 150 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.952 110.2 40.1 -58.4 -48.7 -9.8 14.9 6.6 151 151 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.902 114.5 52.4 -67.5 -41.9 -6.2 14.4 7.8 152 152 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.932 109.5 49.8 -60.6 -46.1 -6.0 17.8 9.5 153 153 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.890 110.8 50.4 -59.7 -41.0 -9.2 17.1 11.4 154 154 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 112.1 45.7 -63.6 -48.0 -7.9 13.7 12.5 155 155 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.920 116.6 45.5 -61.9 -44.6 -4.6 15.1 13.8 156 156 A S H X S+ 0 0 7 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.918 113.4 49.3 -66.4 -43.0 -6.3 17.9 15.6 157 157 A A H <>S+ 0 0 1 -4,-2.9 5,-2.5 -5,-0.2 3,-0.3 0.940 112.2 49.5 -60.9 -45.9 -8.9 15.7 17.1 158 158 A R H ><5S+ 0 0 51 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.940 108.7 51.5 -57.5 -50.3 -6.2 13.3 18.2 159 159 A D H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.788 108.9 52.8 -59.1 -27.9 -4.2 16.1 19.8 160 160 A Q T 3<5S- 0 0 98 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.355 123.7-103.5 -91.0 6.3 -7.3 17.2 21.7 161 161 A G T < 5 + 0 0 65 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.592 70.0 146.4 86.2 14.1 -7.9 13.7 23.1 162 162 A L < - 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