==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-10 3MIL . COMPND 2 MOLECULE: ISOAMYL ACETATE-HYDROLYZING ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.MA,Q.LU,Y.YUAN,K.LI,H.GE,Y.GO,L.NIU,M.TENG . 478 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 3 0 2 2 1 0 0 0 0 2 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 0 2 2 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 . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 19 0, 0.0 2,-0.7 0, 0.0 309,-0.1 0.000 360.0 360.0 360.0 52.4 -0.3 -13.7 11.0 2 2 A D - 0 0 90 308,-0.0 2,-0.4 309,-0.0 305,-0.1 -0.798 360.0-166.4 -90.9 113.5 3.4 -14.4 10.4 3 3 A Y - 0 0 2 -2,-0.7 2,-0.1 41,-0.0 41,-0.1 -0.830 15.6-131.6 -98.3 138.3 5.5 -11.2 10.4 4 4 A E E -a 44 0A 46 39,-0.5 41,-2.8 -2,-0.4 2,-0.4 -0.481 26.5-127.3 -77.8 159.3 9.0 -11.0 9.1 5 5 A K E -ab 45 73A 16 67,-2.7 69,-2.5 39,-0.2 70,-1.2 -0.923 13.1-157.9-118.3 138.3 11.6 -9.3 11.4 6 6 A F E -ab 46 75A 0 39,-2.8 41,-2.7 -2,-0.4 2,-0.4 -0.970 24.3-150.0-110.9 109.9 14.0 -6.5 10.7 7 7 A L E -ab 47 76A 0 68,-2.7 70,-2.5 -2,-0.6 2,-0.6 -0.702 9.5-159.5 -87.4 130.9 16.8 -6.8 13.3 8 8 A L E -ab 48 77A 4 39,-2.9 41,-2.9 -2,-0.4 2,-0.5 -0.951 20.1-178.0-107.9 109.6 18.6 -3.7 14.6 9 9 A F E +ab 49 78A 0 68,-1.9 70,-2.1 -2,-0.6 2,-0.3 -0.926 27.6 72.9-116.7 128.0 21.9 -4.9 16.1 10 10 A G E -ab 50 79A 1 39,-1.9 41,-2.0 -2,-0.5 70,-0.2 -0.961 67.6 -54.3 170.6-153.6 24.5 -2.7 17.7 11 11 A D S >> S- 0 0 0 68,-1.2 4,-2.6 -2,-0.3 3,-1.2 0.106 82.1 -46.3-102.7-151.8 25.6 -0.5 20.6 12 12 A S H 3> S+ 0 0 2 39,-0.4 4,-3.0 1,-0.3 40,-0.2 0.811 131.0 62.6 -54.5 -33.6 24.2 2.5 22.4 13 13 A I H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 67,-0.1 0.843 111.9 38.5 -68.6 -25.7 23.3 4.2 19.2 14 14 A T H X4 S+ 0 0 5 -3,-1.2 3,-1.3 65,-0.2 -2,-0.2 0.889 115.6 51.9 -81.4 -44.5 21.0 1.2 18.5 15 15 A E H 3< S+ 0 0 8 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.874 114.0 44.0 -56.2 -39.1 19.8 0.9 22.2 16 16 A F T >< S+ 0 0 58 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.382 82.6 106.5 -89.1 3.3 18.9 4.7 22.3 17 17 A A T < S+ 0 0 0 -3,-1.3 16,-2.7 1,-0.3 17,-0.6 0.535 77.0 48.6 -69.4 -8.3 17.1 4.7 18.9 18 18 A F T 3 S+ 0 0 2 -3,-0.4 2,-0.7 15,-0.2 261,-0.3 0.375 81.1 110.5-109.8 0.8 13.5 4.9 20.2 19 19 A N < - 0 0 49 -3,-1.7 13,-0.1 1,-0.2 257,-0.1 -0.704 38.2-179.5 -86.6 115.8 14.0 7.8 22.7 20 20 A T S S+ 0 0 6 -2,-0.7 9,-2.3 1,-0.2 -1,-0.2 0.515 81.2 54.2 -84.6 -6.9 12.2 11.0 21.6 21 21 A R + 0 0 82 7,-0.2 -1,-0.2 1,-0.1 7,-0.1 -0.559 58.3 151.0-127.7 67.5 13.4 12.7 24.8 22 22 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.692 67.8 42.2 -73.1 -19.5 17.2 12.3 24.8 23 23 A I S > S- 0 0 74 4,-0.2 2,-1.3 -3,-0.1 3,-0.9 -0.878 90.1-107.3-129.9 160.2 17.8 15.5 26.7 24 24 A E T 3 S+ 0 0 210 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.332 90.6 94.4 -91.0 54.5 16.0 17.3 29.7 25 25 A D T 3 S- 0 0 85 -2,-1.3 -1,-0.2 2,-0.2 3,-0.1 0.491 89.0-127.4-105.0 -14.5 14.3 20.1 27.8 26 26 A G < + 0 0 47 -3,-0.9 2,-0.6 1,-0.2 -2,-0.1 0.522 65.8 132.7 79.6 8.3 11.1 18.1 27.5 27 27 A K - 0 0 128 -4,-0.2 -4,-0.2 243,-0.0 -1,-0.2 -0.832 56.7-123.3-100.0 122.3 11.0 18.6 23.8 28 28 A D - 0 0 25 -2,-0.6 241,-0.4 241,-0.3 2,-0.3 -0.297 27.7-167.9 -68.8 140.1 10.3 15.6 21.6 29 29 A Q - 0 0 36 -9,-2.3 241,-0.1 239,-0.1 -1,-0.0 -0.866 32.8 -84.4-123.1 158.8 12.8 14.7 18.8 30 30 A Y - 0 0 15 -2,-0.3 2,-0.4 239,-0.1 166,-0.2 -0.292 41.5-156.9 -57.1 141.9 12.7 12.3 15.9 31 31 A A > - 0 0 1 1,-0.1 4,-2.3 -13,-0.1 3,-0.2 -0.987 14.5-146.8-130.4 122.4 13.6 8.7 16.8 32 32 A L H > S+ 0 0 3 -2,-0.4 4,-2.3 1,-0.2 -14,-0.2 0.892 100.5 50.4 -49.2 -49.0 14.9 6.2 14.2 33 33 A G H > S+ 0 0 0 -16,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.875 109.4 51.0 -60.8 -40.9 13.2 3.3 15.8 34 34 A A H > S+ 0 0 0 -17,-0.6 4,-2.5 -3,-0.2 -1,-0.2 0.929 110.6 48.2 -65.1 -45.0 9.8 5.0 16.0 35 35 A A H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.897 111.5 51.2 -60.2 -43.1 9.9 5.9 12.3 36 36 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.941 111.4 45.7 -61.4 -48.9 10.9 2.4 11.4 37 37 A V H < S+ 0 0 14 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.939 114.9 49.7 -61.3 -43.9 8.0 0.8 13.4 38 38 A N H >< S+ 0 0 41 -4,-2.5 3,-1.3 221,-0.3 -2,-0.2 0.945 113.7 42.1 -58.9 -53.3 5.6 3.3 12.0 39 39 A E H 3< S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 119.2 45.8 -70.3 -25.1 6.5 2.9 8.3 40 40 A Y T >X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 3,-2.2 0.240 80.6 138.6 -98.1 10.9 6.7 -0.9 8.6 41 41 A T T <4 S+ 0 0 13 -3,-1.3 181,-0.1 1,-0.3 4,-0.1 -0.349 80.7 6.0 -60.4 135.3 3.5 -1.2 10.6 42 42 A R T 34 S+ 0 0 4 247,-0.3 180,-3.4 179,-0.1 -1,-0.3 0.703 130.5 67.8 58.0 22.7 1.5 -4.2 9.3 43 43 A K T <4 S- 0 0 37 -3,-2.2 -39,-0.5 1,-0.3 2,-0.3 0.597 107.9 -6.1-129.2 -50.4 4.5 -5.0 7.2 44 44 A M E < -a 4 0A 5 -4,-2.7 -1,-0.3 -7,-0.2 2,-0.3 -0.989 62.0-120.9-154.6 139.1 7.5 -6.1 9.3 45 45 A D E -a 5 0A 18 -41,-2.8 -39,-2.8 -2,-0.3 2,-0.6 -0.664 24.5-135.0 -80.7 140.5 8.3 -6.2 13.0 46 46 A I E -a 6 0A 24 -2,-0.3 2,-0.7 -41,-0.2 -39,-0.2 -0.873 17.1-161.6 -97.5 118.7 11.3 -4.2 14.2 47 47 A L E -a 7 0A 12 -41,-2.7 -39,-2.9 -2,-0.6 2,-0.6 -0.899 6.6-153.9-106.7 109.4 13.5 -6.2 16.6 48 48 A Q E +a 8 0A 14 -2,-0.7 235,-0.3 -41,-0.2 2,-0.2 -0.738 24.3 163.3 -91.0 120.8 15.7 -4.0 18.7 49 49 A R E +a 9 0A 1 -41,-2.9 -39,-1.9 -2,-0.6 2,-0.4 -0.600 19.3 146.4-134.6 72.3 19.0 -5.5 19.9 50 50 A G E -a 10 0A 1 -41,-0.2 2,-0.4 -36,-0.2 -39,-0.3 -0.879 27.4-164.1-108.7 143.1 21.3 -2.7 21.0 51 51 A F > - 0 0 1 -41,-2.0 3,-2.0 -2,-0.4 -39,-0.4 -0.924 23.0-124.6-135.0 104.9 23.7 -2.9 23.9 52 52 A K T 3 S+ 0 0 81 -2,-0.4 415,-0.5 -41,-0.4 -41,-0.0 -0.188 91.6 6.0 -49.8 127.1 25.2 0.4 25.4 53 53 A G T 3 S+ 0 0 3 1,-0.2 -1,-0.3 413,-0.1 2,-0.1 0.403 94.5 143.9 83.3 -0.9 29.0 0.4 25.4 54 54 A Y < - 0 0 0 -3,-2.0 29,-0.3 -44,-0.1 -1,-0.2 -0.369 34.9-150.6 -77.8 151.7 29.4 -2.8 23.5 55 55 A T > - 0 0 0 28,-0.1 4,-2.9 25,-0.1 5,-0.2 -0.568 34.3 -98.5-106.3 174.3 32.1 -3.6 20.9 56 56 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.795 122.8 55.5 -62.3 -31.1 32.3 -5.9 17.9 57 57 A R H > S+ 0 0 46 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.947 113.4 38.6 -68.3 -48.1 34.0 -8.5 20.0 58 58 A W H > S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.891 115.0 53.5 -72.3 -37.9 31.3 -8.6 22.6 59 59 A A H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.877 101.8 60.0 -63.6 -35.2 28.5 -8.3 20.0 60 60 A L H < S+ 0 0 31 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 103.6 51.7 -61.1 -32.3 30.0 -11.2 18.2 61 61 A K H < S+ 0 0 114 -4,-1.0 4,-0.4 -3,-0.5 -1,-0.2 0.862 113.6 43.8 -68.4 -37.1 29.4 -13.3 21.3 62 62 A I H >X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.1 3,-1.2 0.880 98.0 74.0 -74.9 -40.7 25.7 -12.2 21.5 63 63 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 3,-0.4 0.839 93.3 48.3 -51.3 -50.8 24.8 -12.6 17.9 64 64 A P H 3> S+ 0 0 47 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.815 110.0 55.3 -63.1 -26.0 24.6 -16.4 17.6 65 65 A E H <> S+ 0 0 62 -3,-1.2 4,-0.6 -4,-0.4 -2,-0.2 0.849 110.3 45.4 -71.5 -35.9 22.4 -16.5 20.7 66 66 A I H >X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.4 3,-1.0 0.952 114.0 47.4 -66.2 -51.2 19.9 -14.0 19.2 67 67 A L H 3< S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.775 104.0 60.1 -69.9 -26.8 19.8 -15.8 15.8 68 68 A K H 3< S+ 0 0 119 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.769 116.7 32.8 -70.7 -26.0 19.3 -19.3 17.2 69 69 A H H << S+ 0 0 79 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.926 98.4 82.5 -87.1 -63.7 16.0 -18.1 18.9 70 70 A E < - 0 0 29 -4,-2.1 3,-0.5 172,-0.2 2,-0.3 -0.237 65.9-147.7 -67.3 124.5 14.4 -15.5 16.8 71 71 A S + 0 0 97 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 -0.658 68.4 12.6 -91.4 143.6 12.3 -16.7 13.9 72 72 A N + 0 0 63 -2,-0.3 -67,-2.7 1,-0.3 2,-0.5 0.669 67.4 160.3 73.5 25.7 11.8 -15.0 10.6 73 73 A I E +b 5 0A 13 -3,-0.5 -1,-0.3 -69,-0.2 -67,-0.2 -0.690 4.8 167.9 -73.0 127.3 14.5 -12.4 10.7 74 74 A V E + 0 0 10 -69,-2.5 41,-2.0 -2,-0.5 2,-0.3 0.531 59.8 21.7-116.6 -15.6 15.0 -11.4 7.0 75 75 A M E -bc 6 115A 0 -70,-1.2 -68,-2.7 39,-0.3 -1,-0.3 -0.988 63.1-176.1-156.5 149.3 17.1 -8.3 7.3 76 76 A A E -bc 7 116A 0 39,-2.4 41,-2.1 -2,-0.3 2,-0.3 -0.984 19.7-138.8-155.3 138.8 19.5 -6.7 9.8 77 77 A T E -bc 8 117A 2 -70,-2.5 -68,-1.9 -2,-0.3 2,-0.5 -0.777 13.2-159.2 -90.1 145.2 21.6 -3.7 10.5 78 78 A I E +bc 9 118A 1 39,-2.6 41,-2.9 -2,-0.3 2,-0.4 -0.994 16.5 172.0-118.9 119.4 25.0 -4.1 12.1 79 79 A F E +b 10 0A 0 -70,-2.1 -68,-1.2 -2,-0.5 2,-0.3 -0.776 19.4 131.7-134.9 89.7 26.2 -0.8 13.7 80 80 A L + 0 0 1 39,-0.5 -25,-0.1 -2,-0.4 -2,-0.1 -0.934 31.7 79.6-131.3 157.1 29.4 -1.1 15.8 81 81 A G > + 0 0 0 -2,-0.3 4,-2.5 39,-0.1 5,-0.1 -0.004 62.0 95.0 136.6 -31.3 32.5 1.0 15.8 82 82 A A T 4 S+ 0 0 2 1,-0.2 -27,-0.1 2,-0.2 -2,-0.1 0.803 106.3 27.2 -63.2 -25.4 31.7 4.1 17.9 83 83 A N T >4 S+ 0 0 5 -29,-0.3 3,-2.0 2,-0.1 -1,-0.2 0.838 118.0 57.0 -96.8 -44.8 33.2 2.1 20.8 84 84 A D T 34 S+ 0 0 0 1,-0.3 9,-2.3 -30,-0.2 -2,-0.2 0.832 101.3 58.7 -54.6 -38.8 35.7 -0.1 19.0 85 85 A A T 3< S+ 0 0 0 -4,-2.5 59,-0.4 7,-0.2 -1,-0.3 0.432 74.0 124.8 -76.9 -1.2 37.5 2.9 17.4 86 86 A C S < S- 0 0 5 -3,-2.0 57,-0.2 5,-0.2 7,-0.2 -0.381 70.1-125.0 -55.2 140.2 38.3 4.4 20.8 87 87 A S S S- 0 0 62 55,-2.8 2,-0.3 5,-0.1 -1,-0.1 0.602 77.9 -12.4 -74.0 -14.9 42.1 4.9 20.8 88 88 A A S S+ 0 0 34 54,-0.2 3,-0.3 5,-0.0 52,-0.1 -0.958 91.0 64.3-168.9 171.2 42.8 2.9 24.0 89 89 A G S > S- 0 0 25 -2,-0.3 3,-1.5 1,-0.2 -3,-0.0 -0.264 93.8 -41.6 94.9-177.5 41.1 1.3 26.9 90 90 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.691 133.0 49.3 -65.1 -22.0 38.6 -1.6 27.6 91 91 A Q T 3 S+ 0 0 19 -3,-0.3 2,-0.3 -8,-0.1 -5,-0.2 0.540 84.8 110.0 -91.7 -9.6 36.4 -0.6 24.6 92 92 A S < - 0 0 37 -3,-1.5 -8,-0.2 -7,-0.1 -7,-0.2 -0.515 42.5-178.6 -73.5 129.1 39.2 -0.4 22.0 93 93 A V - 0 0 2 -9,-2.3 -37,-0.0 -2,-0.3 -2,-0.0 -0.991 29.4-118.9-127.1 121.5 39.2 -3.1 19.4 94 94 A P > - 0 0 70 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.175 27.2-109.7 -60.6 153.4 42.0 -3.0 16.8 95 95 A L H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.854 112.8 52.3 -56.9 -44.1 41.1 -2.7 13.1 96 96 A P H > S+ 0 0 106 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.949 116.1 40.6 -62.0 -43.9 42.0 -6.2 11.9 97 97 A E H > S+ 0 0 56 2,-0.2 4,-3.1 -3,-0.2 -2,-0.2 0.909 113.2 55.7 -66.0 -41.8 39.9 -7.8 14.6 98 98 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.946 111.1 43.3 -54.2 -52.2 37.1 -5.3 14.3 99 99 A I H X S+ 0 0 20 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.913 114.2 50.4 -63.5 -41.3 36.8 -6.1 10.5 100 100 A D H X S+ 0 0 67 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.902 110.2 51.0 -63.8 -38.3 37.0 -9.8 11.1 101 101 A N H X S+ 0 0 10 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.925 112.6 44.8 -63.0 -47.8 34.3 -9.6 13.8 102 102 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 111.8 53.5 -62.8 -42.3 32.0 -7.7 11.5 103 103 A R H X S+ 0 0 80 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.920 107.2 51.7 -57.5 -45.5 32.8 -10.1 8.7 104 104 A Q H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.871 109.0 51.1 -58.5 -39.8 31.9 -13.0 11.0 105 105 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.920 110.7 48.0 -63.4 -44.3 28.5 -11.3 11.8 106 106 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 113.5 47.2 -60.5 -45.8 27.8 -10.9 8.1 107 107 A S H X S+ 0 0 65 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.834 112.8 48.6 -69.5 -35.1 28.6 -14.5 7.3 108 108 A L H X S+ 0 0 48 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.917 111.2 50.7 -67.7 -44.6 26.6 -15.8 10.2 109 109 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-1.3 0.940 108.6 52.1 -56.9 -46.9 23.6 -13.7 9.2 110 110 A K H ><5S+ 0 0 90 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.856 102.1 59.0 -59.3 -37.2 23.9 -15.0 5.6 111 111 A S H 3<5S+ 0 0 93 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.715 108.0 47.0 -64.9 -21.4 23.8 -18.6 6.8 112 112 A Y T <<5S- 0 0 100 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.265 121.4-112.6 -95.4 6.0 20.4 -17.7 8.4 113 113 A H T < 5 + 0 0 153 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.787 67.2 151.6 63.2 29.3 19.4 -16.1 5.0 114 114 A I < - 0 0 8 -5,-2.6 -39,-0.3 -6,-0.2 -1,-0.3 -0.787 46.9-130.8 -90.5 132.3 19.4 -12.7 6.8 115 115 A R E -c 75 0A 66 -41,-2.0 -39,-2.4 -2,-0.4 2,-0.2 -0.766 28.1-147.3 -83.9 107.4 20.2 -9.7 4.5 116 116 A P E -c 76 0A 2 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.484 15.3-168.1 -83.0 149.0 22.9 -7.6 6.3 117 117 A I E -c 77 0A 0 -41,-2.1 -39,-2.6 -2,-0.2 2,-0.5 -0.994 14.4-146.6-129.2 123.1 23.3 -3.8 6.2 118 118 A I E -cd 78 166A 1 47,-2.7 49,-2.4 -2,-0.4 2,-0.5 -0.801 9.3-157.9 -95.8 129.4 26.5 -2.4 7.6 119 119 A I E - d 0 167A 1 -41,-2.9 -39,-0.5 -2,-0.5 49,-0.2 -0.898 6.1-147.6-106.5 130.2 26.4 1.1 9.3 120 120 A G - 0 0 0 47,-3.0 49,-0.4 -2,-0.5 -39,-0.1 -0.601 32.9 -88.2 -89.8 156.1 29.5 3.3 9.6 121 121 A P - 0 0 0 0, 0.0 49,-0.8 0, 0.0 -1,-0.1 -0.288 38.8-135.0 -63.0 144.8 30.1 5.6 12.5 122 122 A G - 0 0 4 47,-0.2 48,-0.3 1,-0.2 2,-0.1 -0.072 41.6 -62.4 -79.5-168.0 28.8 9.2 12.4 123 123 A L - 0 0 14 46,-0.3 2,-0.4 47,-0.1 -1,-0.2 -0.391 42.9-140.4 -76.5 154.6 30.7 12.3 13.4 124 124 A V - 0 0 0 -2,-0.1 2,-1.4 -3,-0.1 65,-0.2 -0.975 6.6-143.9-115.0 130.1 32.0 13.0 16.9 125 125 A D > - 0 0 7 63,-2.5 4,-2.9 -2,-0.4 3,-0.4 -0.733 26.0-178.5 -88.5 86.4 31.8 16.5 18.4 126 126 A R H > S+ 0 0 94 -2,-1.4 4,-2.8 1,-0.2 5,-0.3 0.855 73.1 58.9 -61.1 -40.5 35.1 16.0 20.2 127 127 A E H > S+ 0 0 129 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.919 115.4 36.3 -54.1 -45.9 35.1 19.4 21.9 128 128 A K H >> S+ 0 0 72 -3,-0.4 4,-1.1 2,-0.2 3,-0.7 0.946 116.1 52.5 -74.7 -51.0 31.8 18.5 23.6 129 129 A W H >X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 3,-0.8 0.902 107.9 50.7 -51.5 -47.6 32.6 14.9 24.2 130 130 A E H 3< S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.0 60.3 -70.7 -21.6 35.9 15.5 25.9 131 131 A K H << S+ 0 0 147 -3,-0.7 3,-0.3 -4,-0.7 -1,-0.3 0.817 114.5 35.9 -71.4 -30.9 34.4 18.0 28.3 132 132 A E H << S+ 0 0 114 -4,-1.1 3,-0.3 -3,-0.8 -2,-0.2 0.850 120.9 45.7 -85.2 -41.0 32.0 15.4 29.6 133 133 A K X + 0 0 43 -4,-2.7 4,-2.6 1,-0.2 3,-0.4 -0.091 68.9 136.2 -99.3 35.2 34.4 12.4 29.5 134 134 A S H > S+ 0 0 68 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.847 70.2 53.4 -50.1 -44.0 37.5 14.1 31.0 135 135 A E H > S+ 0 0 159 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.920 112.3 44.3 -63.1 -43.4 38.4 11.2 33.3 136 136 A E H >4>S+ 0 0 58 -3,-0.4 5,-2.1 2,-0.2 3,-0.5 0.898 112.1 52.8 -62.6 -43.1 38.4 8.8 30.3 137 137 A I H ><5S+ 0 0 25 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.879 104.1 57.0 -62.3 -36.0 40.4 11.3 28.2 138 138 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.1 53.9 -66.7 -27.2 43.0 11.6 30.9 139 139 A L T <<5S- 0 0 115 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.570 126.2-106.2 -78.5 -12.2 43.5 7.8 30.7 140 140 A G T < 5S+ 0 0 22 -3,-1.2 2,-1.2 -4,-0.5 -3,-0.2 0.659 72.2 143.9 95.9 22.1 44.1 8.3 26.9 141 141 A Y < + 0 0 62 -5,-2.1 2,-0.2 -54,-0.1 -1,-0.1 -0.633 27.2 175.3 -96.9 79.3 40.8 7.0 25.6 142 142 A F - 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