==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-09 3H19 . COMPND 2 MOLECULE: ESTERASE/LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.6 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 34.1 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 1 1 0 1 1 3 0 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 2 A A 0 0 86 0, 0.0 261,-0.1 0, 0.0 262,-0.0 0.000 360.0 360.0 360.0 109.8 -7.9 4.2 -21.2 2 3 A G > - 0 0 22 1,-0.1 4,-1.5 4,-0.0 3,-0.2 -0.115 360.0-109.9 -61.2 156.1 -11.6 3.7 -21.5 3 4 A P H > S+ 0 0 100 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.907 113.3 59.0 -56.0 -35.7 -13.6 5.7 -24.0 4 5 A E H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.892 104.2 46.7 -68.1 -43.3 -15.3 7.8 -21.3 5 6 A I H > S+ 0 0 0 -3,-0.2 4,-3.8 2,-0.2 5,-0.2 0.952 111.5 53.4 -59.9 -50.8 -12.1 9.3 -19.7 6 7 A V H X S+ 0 0 88 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.942 115.7 40.2 -45.5 -56.0 -10.8 10.1 -23.2 7 8 A K H X S+ 0 0 147 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.943 114.6 50.2 -61.1 -52.2 -14.1 12.0 -23.9 8 9 A L H X S+ 0 0 10 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.945 111.2 52.2 -50.6 -47.8 -14.4 13.6 -20.4 9 10 A K H X S+ 0 0 27 -4,-3.8 4,-2.0 -5,-0.2 -1,-0.2 0.903 109.5 47.7 -55.7 -45.7 -10.8 14.7 -20.8 10 11 A K H X S+ 0 0 135 -4,-2.0 4,-3.4 -5,-0.2 -2,-0.2 0.940 112.0 49.9 -57.4 -49.5 -11.6 16.3 -24.2 11 12 A I H X S+ 0 0 50 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.865 110.9 49.5 -59.6 -42.4 -14.7 18.1 -22.8 12 13 A L H X S+ 0 0 34 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.894 113.7 44.8 -65.5 -44.4 -12.8 19.5 -19.8 13 14 A R H < S+ 0 0 122 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.949 114.1 50.4 -63.3 -47.1 -10.0 20.8 -22.0 14 15 A E H < S+ 0 0 131 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 116.8 41.2 -55.8 -39.2 -12.6 22.2 -24.5 15 16 A K H < S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.641 92.1 117.4 -83.6 -20.3 -14.5 23.9 -21.7 16 17 A A < - 0 0 56 -4,-1.3 -3,-0.1 -3,-0.4 176,-0.1 -0.005 68.7-117.1 -54.2 150.4 -11.5 25.2 -19.8 17 18 A V - 0 0 85 1,-0.1 3,-0.1 4,-0.1 4,-0.1 -0.686 51.5 -89.5 -78.3 137.4 -10.6 28.8 -19.1 18 19 A P > - 0 0 83 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.167 53.1 -84.3 -54.5 146.0 -7.3 29.6 -20.8 19 20 A P T 3 S+ 0 0 139 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.203 113.0 12.9 -56.5 122.2 -4.0 29.1 -18.8 20 21 A G T 3 S+ 0 0 87 1,-0.3 2,-0.4 -3,-0.1 0, 0.0 0.850 85.7 135.5 75.0 34.1 -3.2 32.1 -16.7 21 22 A T < - 0 0 74 -3,-1.2 2,-0.8 -4,-0.1 -1,-0.3 -0.945 51.4-135.5-101.6 141.6 -6.5 33.9 -16.9 22 23 A E - 0 0 156 -2,-0.4 173,-0.0 -3,-0.1 0, 0.0 -0.852 17.3-164.5-105.5 109.5 -7.6 35.1 -13.5 23 24 A V - 0 0 39 -2,-0.8 5,-0.1 1,-0.1 -2,-0.0 -0.800 26.6-114.0-100.0 124.1 -11.2 34.4 -12.8 24 25 A P > - 0 0 74 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.088 27.5-113.1 -50.1 155.2 -12.7 36.4 -9.8 25 26 A L H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.934 114.6 51.9 -64.6 -45.8 -13.7 34.3 -6.8 26 27 A D H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.806 109.1 54.2 -65.3 -21.6 -17.4 34.9 -6.9 27 28 A V H > S+ 0 0 78 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.876 110.0 44.3 -78.3 -39.6 -17.2 33.8 -10.6 28 29 A M H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.948 115.4 51.3 -66.7 -40.8 -15.5 30.5 -9.7 29 30 A R H X S+ 0 0 55 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.901 111.9 45.0 -56.4 -45.1 -18.1 30.1 -6.9 30 31 A K H X S+ 0 0 134 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.928 114.5 48.4 -72.9 -42.2 -21.1 30.7 -9.1 31 32 A G H X S+ 0 0 26 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.855 107.7 52.6 -63.7 -39.2 -19.8 28.4 -11.8 32 33 A M H X S+ 0 0 52 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.932 114.4 46.4 -59.5 -39.5 -19.0 25.6 -9.5 33 34 A E H >< S+ 0 0 69 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.892 111.4 49.1 -67.8 -45.2 -22.7 25.9 -8.3 34 35 A K H 3< S+ 0 0 169 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.0 44.9 -67.5 -33.6 -24.2 26.2 -11.7 35 36 A V H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.547 83.1 126.9 -87.2 -6.0 -22.4 23.0 -13.1 36 37 A A << - 0 0 29 -4,-0.7 2,-0.3 -3,-0.5 49,-0.1 -0.140 63.4-117.4 -56.2 133.9 -23.0 20.8 -10.0 37 38 A F - 0 0 79 47,-0.3 50,-0.6 232,-0.2 51,-0.1 -0.630 28.6-114.6 -69.1 135.1 -24.6 17.4 -10.7 38 39 A K - 0 0 201 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.406 34.6-108.5 -57.6 136.5 -28.0 16.8 -9.1 39 40 A A - 0 0 19 1,-0.1 48,-0.1 -2,-0.1 -1,-0.1 -0.472 45.6 -86.7 -65.1 147.9 -28.0 14.1 -6.5 40 41 A A > - 0 0 38 47,-0.3 3,-1.6 1,-0.1 -1,-0.1 -0.167 41.4-115.9 -54.2 150.1 -29.8 10.8 -7.5 41 42 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.590 110.9 61.8 -83.5 2.1 -33.5 11.1 -6.7 42 43 A D T 3 S+ 0 0 80 2,-0.1 2,-0.5 19,-0.0 -1,-0.3 0.377 80.4 105.3 -99.1 2.7 -33.5 8.3 -4.1 43 44 A I < - 0 0 20 -3,-1.6 2,-0.3 17,-0.2 17,-0.3 -0.746 61.3-154.6 -77.7 119.9 -31.0 10.3 -2.0 44 45 A Q E -A 59 0A 127 15,-3.2 15,-2.3 -2,-0.5 2,-0.4 -0.674 9.2-163.5 -97.3 162.3 -32.8 11.8 1.0 45 46 A V E -A 58 0A 54 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.989 12.3-169.2-150.3 139.0 -31.6 14.9 2.6 46 47 A E E -A 57 0A 89 11,-2.0 11,-2.4 -2,-0.4 2,-0.4 -0.965 22.4-132.2-136.3 123.5 -32.2 16.6 5.9 47 48 A Q E +A 56 0A 160 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.590 35.2 166.2 -78.0 127.7 -31.0 20.1 6.7 48 49 A V E -A 55 0A 26 7,-2.0 7,-2.1 -2,-0.4 2,-0.5 -0.872 34.4-126.9-130.7 159.7 -29.3 20.4 10.1 49 50 A T E -A 54 0A 111 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.974 28.9-179.3-114.2 133.6 -27.2 22.9 11.8 50 51 A V E > -A 53 0A 0 3,-2.7 3,-2.4 -2,-0.5 73,-0.1 -0.992 65.9 -19.4-136.4 118.6 -23.8 21.7 13.3 51 52 A A T 3 S- 0 0 46 -2,-0.4 -1,-0.1 1,-0.3 72,-0.1 0.917 127.7 -51.4 43.9 50.8 -21.2 23.7 15.2 52 53 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 53,-0.0 -1,-0.3 0.482 119.0 104.2 73.6 1.3 -22.7 26.9 13.8 53 54 A C E < S-A 50 0A 11 -3,-2.4 -3,-2.7 66,-0.1 -1,-0.2 -0.872 75.8-108.1-115.2 151.0 -22.6 25.8 10.1 54 55 A A E +A 49 0A 49 50,-0.4 50,-2.2 -2,-0.3 2,-0.3 -0.436 46.9 167.7 -62.7 142.8 -25.3 24.6 7.8 55 56 A A E -AB 48 103A 2 -7,-2.1 -7,-2.0 48,-0.2 2,-0.4 -0.935 24.1-143.1-146.3 166.9 -25.0 20.8 7.0 56 57 A E E -AB 47 102A 13 46,-0.9 46,-4.1 -2,-0.3 2,-0.4 -0.991 13.1-136.3-132.1 136.5 -27.1 18.1 5.4 57 58 A W E -AB 46 101A 20 -11,-2.4 -11,-2.0 -2,-0.4 2,-0.5 -0.787 26.5-158.3 -79.2 135.6 -27.5 14.5 6.4 58 59 A V E -AB 45 100A 0 42,-2.0 42,-2.9 -2,-0.4 2,-0.5 -0.966 12.5-178.1-131.7 105.7 -27.4 12.7 3.1 59 60 A R E -A 44 0A 72 -15,-2.3 -15,-3.2 -2,-0.5 40,-0.1 -0.948 9.2-167.4-120.3 112.0 -28.9 9.3 3.1 60 61 A A > - 0 0 6 -2,-0.5 3,-0.6 -17,-0.3 -17,-0.2 -0.323 50.0 -73.6 -71.7 166.3 -29.0 6.9 0.2 61 62 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 36,-0.2 -0.351 116.7 35.4 -59.7 150.0 -31.3 3.9 0.3 62 63 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.696 73.2 166.1 83.4 25.2 -29.9 1.1 2.7 63 64 A C < - 0 0 37 -3,-0.6 2,-0.3 35,-0.1 35,-0.2 -0.548 33.7-132.4 -79.5 131.0 -28.3 3.1 5.5 64 65 A Q > - 0 0 101 33,-3.6 3,-1.3 -2,-0.3 35,-0.4 -0.653 29.1-116.2 -79.4 135.9 -27.3 1.3 8.6 65 66 A A T 3 S+ 0 0 102 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.422 96.8 28.0 -72.2 142.4 -28.5 3.2 11.7 66 67 A G T 3 S+ 0 0 37 1,-0.3 67,-0.4 -2,-0.1 2,-0.3 0.391 95.9 107.0 90.0 -11.8 -25.8 4.4 14.0 67 68 A K < + 0 0 49 -3,-1.3 32,-0.6 30,-0.1 -1,-0.3 -0.758 44.4 173.5 -98.6 150.2 -23.2 4.7 11.3 68 69 A A E -cd 99 137A 0 68,-1.9 70,-1.8 -2,-0.3 2,-0.5 -0.974 26.2-147.0-155.9 148.8 -22.0 8.1 9.9 69 70 A I E -cd 100 138A 0 30,-1.7 32,-3.9 -2,-0.3 2,-0.9 -0.963 13.8-146.9-111.3 118.9 -19.5 9.9 7.6 70 71 A L E -cd 101 139A 0 68,-2.8 70,-2.2 -2,-0.5 2,-0.6 -0.836 28.8-159.7 -74.3 110.0 -18.2 13.3 8.4 71 72 A Y E -cd 102 140A 0 30,-2.5 32,-1.2 -2,-0.9 2,-0.6 -0.898 13.3-167.4-101.6 119.6 -17.8 14.5 4.8 72 73 A L E - d 0 141A 0 68,-3.0 70,-1.0 -2,-0.6 77,-0.2 -0.897 19.0-143.1-105.1 105.7 -15.4 17.5 4.0 73 74 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.5 75,-0.1 -0.162 10.8-117.7 -71.4 154.6 -15.9 18.8 0.5 74 75 A G + 0 0 2 70,-0.2 69,-0.2 71,-0.1 -1,-0.1 -0.175 55.5 121.4 -80.7-179.9 -13.3 20.2 -2.0 75 76 A G S >> S- 0 0 13 67,-0.1 3,-1.8 5,-0.1 4,-1.6 0.522 88.1 -84.0 132.1 22.7 -12.9 23.6 -3.5 76 77 A G T 34 S- 0 0 0 1,-0.3 127,-0.2 2,-0.2 -2,-0.1 0.638 76.4 -75.8 67.0 16.1 -9.4 24.8 -2.5 77 78 A Y T 34 S+ 0 0 1 2,-0.3 31,-3.2 -4,-0.2 -1,-0.3 0.515 132.1 76.1 70.0 5.7 -10.7 26.1 0.9 78 79 A V T <4 S+ 0 0 1 -3,-1.8 2,-0.2 29,-0.2 -2,-0.2 0.535 100.0 13.0-117.6 -19.1 -12.3 29.1 -1.1 79 80 A M S < S+ 0 0 22 -4,-1.6 -2,-0.3 -51,-0.0 -1,-0.1 -0.768 72.7 91.7-155.3-175.6 -15.4 27.5 -2.8 80 81 A G - 0 0 7 -2,-0.2 2,-0.3 -51,-0.1 -5,-0.1 -0.077 41.3-166.0 89.3 157.4 -17.6 24.4 -2.8 81 82 A S > - 0 0 13 -7,-0.1 4,-1.3 1,-0.1 5,-0.1 -0.960 44.7 -82.6-162.4 170.9 -20.8 23.9 -0.8 82 83 A I H > S+ 0 0 20 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 0.898 129.6 53.4 -45.6 -41.7 -23.2 21.3 0.3 83 84 A N H 4 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.881 102.6 53.1 -70.8 -43.0 -24.8 21.7 -3.2 84 85 A T H 4 S+ 0 0 21 1,-0.2 -47,-0.3 2,-0.1 -1,-0.2 0.788 122.4 32.2 -59.5 -25.5 -21.6 21.2 -5.3 85 86 A H H X S+ 0 0 9 -4,-1.3 4,-1.9 -3,-0.3 5,-0.3 0.491 84.7 98.2-117.7 -7.6 -21.0 17.9 -3.5 86 87 A R H X S+ 0 0 48 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.878 85.6 55.5 -49.0 -45.4 -24.5 16.4 -2.6 87 88 A S H > S+ 0 0 7 -50,-0.6 4,-1.6 -4,-0.4 -47,-0.3 0.907 111.3 37.0 -52.9 -59.4 -24.3 14.1 -5.7 88 89 A M H > S+ 0 0 8 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.804 118.0 51.7 -71.5 -33.1 -21.0 12.3 -5.1 89 90 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.861 104.9 56.3 -72.2 -40.3 -21.6 12.1 -1.3 90 91 A G H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.909 110.0 46.5 -53.1 -45.6 -25.1 10.6 -1.9 91 92 A E H X S+ 0 0 34 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.788 110.1 51.4 -70.0 -30.3 -23.3 7.9 -3.9 92 93 A I H X S+ 0 0 1 -4,-1.2 4,-2.0 2,-0.2 6,-0.3 0.859 110.1 51.8 -72.8 -34.3 -20.6 7.4 -1.2 93 94 A S H X>S+ 0 0 0 -4,-2.8 5,-0.7 1,-0.2 4,-0.7 0.867 109.0 49.7 -64.1 -38.5 -23.6 7.1 1.2 94 95 A R H <5S+ 0 0 73 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.919 113.7 45.5 -63.2 -44.5 -25.1 4.4 -1.1 95 96 A A H <5S+ 0 0 15 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.844 119.0 39.1 -74.0 -34.0 -21.8 2.5 -1.3 96 97 A S H <5S- 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.442 97.9-132.2 -96.3 -3.5 -21.0 2.5 2.4 97 98 A Q T <5S+ 0 0 72 -4,-0.7 -33,-3.6 -3,-0.4 2,-0.3 0.800 72.1 114.4 47.5 35.1 -24.6 2.0 3.6 98 99 A A S - 0 0 28 -2,-0.2 4,-2.0 -29,-0.1 -29,-0.2 -0.703 19.0 -89.3 -98.7 144.7 -14.5 29.2 3.5 108 109 A A T 4 S+ 0 0 0 -31,-3.2 95,-0.2 -2,-0.3 94,-0.1 -0.539 96.0 37.1 -77.6 160.7 -11.6 31.6 2.8 109 110 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -31,-0.1 -0.999 126.7 42.5 -81.0 -9.0 -10.9 34.5 2.2 110 111 A E T 4 S+ 0 0 104 1,-0.3 -2,-0.2 -32,-0.1 -32,-0.1 0.898 132.9 24.6 -60.6 -39.0 -13.7 35.5 4.5 111 112 A H S < S- 0 0 81 -4,-2.0 5,-0.3 3,-0.0 -1,-0.3 -0.733 88.0-166.6-125.0 91.0 -12.7 32.9 7.0 112 113 A P > - 0 0 39 0, 0.0 3,-2.0 0, 0.0 92,-0.2 -0.072 37.7 -28.6 -72.2 172.7 -9.0 32.0 6.7 113 114 A F T 3 S+ 0 0 24 90,-3.1 94,-0.1 1,-0.3 101,-0.1 -0.260 121.7 31.5 -46.2 137.8 -7.1 29.1 8.2 114 115 A P T 3> S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 -0.850 99.6 85.1 -96.4 25.8 -7.6 27.5 10.8 115 116 A A H <> S+ 0 0 5 -3,-2.0 4,-2.7 2,-0.2 -9,-0.3 0.874 90.3 50.3 -49.4 -54.8 -11.4 28.1 10.5 116 117 A A H > S+ 0 0 0 -5,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.942 112.0 48.9 -47.2 -54.4 -12.1 25.2 8.2 117 118 A V H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.924 110.3 51.2 -55.4 -46.3 -10.2 22.9 10.6 118 119 A E H X S+ 0 0 101 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.918 109.1 51.2 -59.3 -43.2 -12.1 24.3 13.6 119 120 A D H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 113.1 45.3 -59.7 -46.8 -15.4 23.6 11.8 120 121 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.930 112.6 47.6 -63.8 -49.9 -14.4 20.0 11.1 121 122 A V H X S+ 0 0 4 -4,-3.1 4,-2.8 1,-0.2 3,-0.3 0.960 116.3 47.7 -51.8 -50.2 -13.0 19.1 14.6 122 123 A A H X S+ 0 0 32 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.888 108.5 52.6 -64.0 -37.1 -16.3 20.7 15.9 123 124 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.866 111.3 48.6 -61.3 -35.9 -18.5 18.8 13.5 124 125 A Y H X S+ 0 0 2 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.938 109.9 50.4 -72.8 -51.8 -16.8 15.6 14.6 125 126 A R H X S+ 0 0 85 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.912 107.7 54.5 -40.2 -54.8 -17.3 16.5 18.3 126 127 A W H X S+ 0 0 53 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.918 106.6 51.6 -48.4 -49.0 -20.9 17.1 17.5 127 128 A L H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 4,-0.4 0.908 111.0 46.1 -56.3 -49.1 -21.2 13.6 16.0 128 129 A L H ><5S+ 0 0 32 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.925 110.7 54.3 -61.1 -47.2 -19.7 12.0 19.1 129 130 A D H 3<5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.777 101.6 57.7 -52.4 -34.9 -22.0 14.2 21.3 130 131 A Q T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.603 126.8-105.2 -71.0 -14.7 -25.0 12.9 19.3 131 132 A G T < 5 + 0 0 50 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.613 69.0 148.2 98.1 15.4 -23.8 9.4 20.5 132 133 A F < - 0 0 42 -5,-1.9 -1,-0.3 2,-0.0 -65,-0.1 -0.619 50.1-124.2 -66.5 135.0 -22.3 7.9 17.4 133 134 A K > - 0 0 113 -67,-0.4 3,-3.5 -2,-0.3 4,-0.3 -0.732 14.1-121.6 -83.9 142.9 -19.4 5.7 18.6 134 135 A P G > S+ 0 0 27 0, 0.0 3,-1.9 0, 0.0 31,-1.0 0.860 115.3 59.6 -52.2 -33.8 -16.0 6.6 17.1 135 136 A Q G 3 S+ 0 0 111 1,-0.3 -68,-0.0 29,-0.2 -3,-0.0 0.665 103.6 50.2 -70.2 -14.1 -15.9 3.0 15.9 136 137 A H G < S+ 0 0 65 -3,-3.5 -68,-1.9 -70,-0.1 2,-0.3 0.241 100.7 90.8-101.2 9.7 -19.1 3.6 13.9 137 138 A L E < +d 68 0A 0 -3,-1.9 28,-1.9 -4,-0.3 29,-0.7 -0.776 47.0 178.3-112.4 148.5 -17.7 6.8 12.3 138 139 A S E -de 69 166A 1 -70,-1.8 -68,-2.8 -2,-0.3 2,-0.4 -0.962 15.1-149.3-139.9 156.6 -15.6 7.6 9.2 139 140 A I E +de 70 167A 1 27,-1.0 29,-2.6 -2,-0.3 2,-0.3 -0.999 23.3 168.5-130.7 125.5 -14.3 10.9 7.7 140 141 A S E +de 71 168A 0 -70,-2.2 -68,-3.0 -2,-0.4 2,-0.3 -0.946 1.5 154.8-133.5 154.4 -13.9 11.4 4.0 141 142 A G E -de 72 169A 0 27,-1.6 29,-3.2 -2,-0.3 2,-0.4 -0.957 28.1-120.4-172.5 169.1 -13.3 14.4 1.7 142 143 A D E > - e 0 170A 7 -70,-1.0 3,-2.4 -2,-0.3 29,-0.2 -0.913 65.3 -28.5-125.1 141.7 -11.9 15.4 -1.6 143 144 A S T >> S+ 0 0 16 27,-2.6 30,-2.2 -2,-0.4 3,-1.4 -0.411 138.9 4.6 65.9-127.1 -9.2 17.7 -2.9 144 145 A A H 3> S+ 0 0 0 1,-0.3 4,-2.9 28,-0.2 -1,-0.3 0.850 135.6 57.6 -48.3 -38.8 -8.7 20.4 -0.2 145 146 A G H <> S+ 0 0 0 -3,-2.4 4,-1.2 1,-0.2 -1,-0.3 0.734 99.6 57.5 -72.8 -20.2 -11.3 18.5 1.9 146 147 A G H <> S+ 0 0 0 -3,-1.4 4,-0.9 24,-0.3 -1,-0.2 0.821 108.7 45.5 -74.9 -36.7 -9.0 15.4 1.7 147 148 A G H >X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.2 3,-0.7 0.924 111.0 54.6 -64.6 -49.7 -6.2 17.4 3.3 148 149 A L H 3X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.777 98.9 60.7 -52.6 -36.3 -8.8 18.7 5.8 149 150 A V H 3X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.925 110.7 42.3 -55.8 -43.6 -9.8 15.1 6.8 150 151 A L H S+ 0 0 1 -4,-2.4 5,-3.2 -5,-0.2 -2,-0.2 0.931 112.1 49.1 -62.5 -45.8 -8.9 16.0 17.1 157 158 A R H ><5S+ 0 0 55 -4,-2.6 3,-2.2 -5,-0.2 -2,-0.2 0.950 109.6 50.3 -56.3 -55.0 -6.2 13.7 18.3 158 159 A D H 3<5S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 110.7 52.3 -52.1 -28.8 -4.1 16.6 19.9 159 160 A Q T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.376 122.4-109.0 -90.3 7.8 -7.4 17.7 21.6 160 161 A G T < 5 + 0 0 64 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.609 67.4 147.7 74.3 16.4 -7.9 14.2 23.0 161 162 A L < - 0 0 29 -5,-3.2 -1,-0.3 -6,-0.2 2,-0.1 -0.545 53.6-105.3 -81.5 149.9 -10.8 13.2 20.8 162 163 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.419 34.9-109.7 -71.3 148.2 -11.0 9.4 19.9 163 164 A M - 0 0 38 60,-0.1 -26,-0.1 -2,-0.1 61,-0.1 -0.518 30.6-123.4 -72.7 148.1 -10.0 8.4 16.4 164 165 A P - 0 0 5 0, 0.0 -29,-0.2 0, 0.0 -26,-0.2 -0.217 32.9 -97.4 -78.1-178.9 -12.9 7.2 14.1 165 166 A A S S- 0 0 20 -28,-1.9 2,-0.3 -31,-1.0 -27,-0.2 0.713 95.6 -8.4 -74.1 -19.2 -12.7 3.6 12.4 166 167 A S E -e 138 0A 0 -29,-0.7 -27,-1.0 59,-0.2 2,-0.3 -0.976 53.4-147.4-168.2 164.0 -11.4 4.9 9.2 167 168 A A E -ef 139 227A 0 59,-1.8 61,-2.0 -2,-0.3 -27,-0.2 -0.972 7.0-166.0-150.1 139.6 -10.5 7.9 7.0 168 169 A I E -e 140 0A 0 -29,-2.6 -27,-1.6 -2,-0.3 2,-0.5 -0.837 2.5-169.6-133.2 91.6 -10.6 8.3 3.2 169 170 A P E -e 141 0A 0 0, 0.0 61,-2.1 0, 0.0 2,-0.6 -0.720 11.4-155.1 -75.4 126.2 -8.9 11.3 1.5 170 171 A I E S-eg 142 230A 0 -29,-3.2 -27,-2.6 -2,-0.5 -24,-0.3 -0.901 75.4 -23.2-106.2 116.1 -9.8 11.5 -2.1 171 172 A S S S- 0 0 0 59,-3.4 -1,-0.2 -2,-0.6 -25,-0.2 0.925 93.3-152.0 53.1 46.6 -7.2 13.4 -4.3 172 173 A P - 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