==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-12 4G8C . COMPND 2 MOLECULE: ALPHA/BETA HYDROLASE FOLD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OCHROBACTRUM; . AUTHOR D.C.LIANG,X.X.YAN,A.GAO . 549 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 41 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 8 4 1 2 0 2 0 0 6 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 PARALLEL BRIDGES PER LADDER . 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 T 0 0 104 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 121.5 12.6 18.0 18.1 2 3 A I - 0 0 62 17,-0.1 2,-0.8 18,-0.1 17,-0.2 -0.822 360.0-139.0 -93.2 129.0 10.7 14.7 18.6 3 4 A N E -A 18 0A 77 15,-3.2 15,-2.1 -2,-0.5 2,-0.5 -0.787 22.4-170.6 -88.8 106.3 12.9 11.6 19.0 4 5 A Y E +A 17 0A 93 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.847 17.8 147.0 -99.7 132.2 11.4 8.8 17.0 5 6 A H E -A 16 0A 50 11,-2.5 11,-3.0 -2,-0.5 2,-0.4 -0.981 36.2-124.0-157.1 165.7 12.8 5.2 17.4 6 7 A E E -A 15 0A 88 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.922 14.4-153.0-121.4 139.8 11.6 1.6 17.4 7 8 A L E -A 14 0A 22 7,-2.8 7,-2.8 -2,-0.4 2,-0.7 -0.920 15.4-134.5-111.1 133.2 12.0 -1.1 20.0 8 9 A E E +A 13 0A 133 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.785 41.1 168.9 -81.3 115.7 12.1 -4.8 19.3 9 10 A T E > -A 12 0A 12 3,-2.0 3,-1.3 -2,-0.7 73,-0.0 -0.780 52.3-102.0-123.0 171.0 9.8 -6.3 21.9 10 11 A S T 3 S+ 0 0 29 1,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.709 123.6 51.9 -65.0 -18.4 8.2 -9.7 22.5 11 12 A H T 3 S- 0 0 0 1,-0.4 57,-2.1 57,-0.1 2,-0.3 0.573 126.0 -85.8 -90.7 -12.3 5.0 -8.3 21.1 12 13 A G E < S-A 9 0A 4 -3,-1.3 -3,-2.0 55,-0.2 2,-0.6 -0.856 70.8 -31.3 130.9-172.2 6.6 -7.0 17.9 13 14 A R E -A 8 0A 86 -2,-0.3 52,-2.3 53,-0.3 2,-0.5 -0.751 61.4-157.3 -88.7 118.7 8.4 -3.8 16.9 14 15 A I E -A 7 0A 1 -7,-2.8 -7,-2.8 -2,-0.6 2,-0.3 -0.853 7.9-139.5-104.3 122.7 7.0 -0.9 18.8 15 16 A A E -A 6 0A 0 -2,-0.5 42,-2.3 42,-0.3 2,-0.4 -0.618 22.4-167.7 -77.8 137.9 7.3 2.7 17.6 16 17 A V E -AB 5 56A 0 -11,-3.0 -11,-2.5 -2,-0.3 2,-0.5 -0.995 12.6-163.4-132.0 131.3 8.2 5.2 20.3 17 18 A R E -AB 4 55A 22 38,-1.0 38,-2.9 -2,-0.4 2,-0.4 -0.954 14.0-174.8-109.2 133.8 8.1 9.0 20.2 18 19 A E E -AB 3 54A 10 -15,-2.1 -15,-3.2 -2,-0.5 36,-0.2 -0.993 17.4-139.8-129.2 134.1 10.0 10.9 22.9 19 20 A S - 0 0 6 34,-2.4 -17,-0.1 -2,-0.4 30,-0.1 -0.322 25.9-118.6 -76.1 172.4 10.1 14.6 23.6 20 21 A E + 0 0 141 23,-0.2 32,-0.1 -19,-0.2 29,-0.1 0.317 64.1 138.1 -98.9 11.1 13.5 16.1 24.6 21 22 A G - 0 0 8 27,-1.1 29,-0.2 30,-0.6 30,-0.2 -0.246 46.1-151.9 -57.2 141.4 12.2 17.3 28.0 22 23 A E + 0 0 194 27,-0.5 29,-0.2 28,-0.3 -1,-0.1 0.495 65.5 91.6 -93.8 -7.9 14.7 16.8 30.9 23 24 A G E S-c 51 0A 27 27,-2.4 29,-0.7 1,-0.2 28,-0.1 -0.019 90.9 -45.5 -80.8-173.6 12.0 16.4 33.6 24 25 A A E S- 0 0 21 27,-0.2 28,-1.2 1,-0.1 -1,-0.2 -0.089 70.4 -99.5 -52.3 148.6 10.2 13.5 35.0 25 26 A P E -c 52 0A 17 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.481 31.2-167.1 -80.7 144.9 8.8 11.0 32.5 26 27 A L E -cd 53 96A 0 26,-2.7 28,-3.0 69,-0.2 2,-0.6 -0.993 8.2-154.7-126.9 118.5 5.2 10.8 31.3 27 28 A L E -cd 54 97A 0 69,-2.7 71,-3.2 -2,-0.4 2,-0.5 -0.860 10.8-163.3 -89.7 124.3 4.0 7.8 29.4 28 29 A M E - d 0 98A 0 26,-3.0 2,-0.5 -2,-0.6 71,-0.2 -0.960 2.3-161.1-109.5 124.8 1.0 8.8 27.2 29 30 A I E - d 0 99A 2 69,-2.9 71,-2.9 -2,-0.5 74,-0.2 -0.928 10.9-142.2-112.7 119.5 -1.1 5.8 25.9 30 31 A H - 0 0 0 -2,-0.5 6,-0.1 26,-0.5 3,-0.1 -0.071 18.4-108.6 -74.0 176.1 -3.3 6.4 22.9 31 32 A G > - 0 0 2 4,-0.2 3,-2.0 1,-0.2 27,-0.1 -0.200 51.8 -45.7-100.5-172.9 -6.8 4.9 22.2 32 33 A N T 3 S- 0 0 13 1,-0.3 -1,-0.2 68,-0.1 3,-0.1 -0.337 123.7 -4.2 -59.3 120.4 -8.5 2.4 20.0 33 34 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -2,-0.1 146,-0.2 0.665 114.6 98.6 68.5 19.9 -7.4 2.8 16.4 34 35 A S < - 0 0 5 -3,-2.0 28,-0.5 144,-0.1 2,-0.3 -0.177 59.2-139.7-110.2-151.9 -5.2 5.8 17.1 35 36 A S > - 0 0 1 26,-0.1 3,-1.9 -2,-0.1 -4,-0.2 -0.963 34.4 -93.2-162.1 166.9 -1.5 6.2 17.6 36 37 A G G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 21,-0.1 0.704 113.1 78.0 -60.5 -19.7 1.0 8.2 19.8 37 38 A A G > S+ 0 0 38 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.747 77.9 73.4 -60.9 -23.2 1.1 10.8 17.0 38 39 A I G < S+ 0 0 11 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 84.6 67.0 -63.3 -20.5 -2.2 12.1 18.3 39 40 A F G X> + 0 0 0 -3,-1.8 4,-3.0 1,-0.2 3,-1.1 0.168 61.2 124.4 -91.0 19.4 -0.4 13.6 21.3 40 41 A A H <> + 0 0 31 -3,-1.4 4,-2.8 1,-0.2 5,-0.3 0.856 67.4 59.3 -43.4 -44.5 1.4 16.1 19.1 41 42 A P H 34 S+ 0 0 43 0, 0.0 4,-0.5 0, 0.0 6,-0.3 0.884 115.2 34.9 -61.1 -34.2 0.1 19.0 21.2 42 43 A Q H <4 S+ 0 0 0 -3,-1.1 6,-2.2 2,-0.2 3,-0.2 0.906 118.0 51.2 -81.5 -45.4 1.8 17.6 24.3 43 44 A L H < S+ 0 0 7 -4,-3.0 -23,-0.2 1,-0.2 -3,-0.2 0.898 123.3 29.8 -56.0 -43.9 4.9 16.1 22.6 44 45 A E S < S+ 0 0 130 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.478 115.8 67.7 -99.3 -6.5 5.7 19.4 20.8 45 46 A G S > S- 0 0 19 -4,-0.5 4,-1.7 -5,-0.3 5,-0.2 -0.064 106.2 -63.3-102.6-159.4 4.3 21.9 23.3 46 47 A E H > S+ 0 0 137 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.807 127.7 56.5 -62.5 -32.0 5.0 23.1 26.8 47 48 A I H > S+ 0 0 5 -6,-0.3 4,-2.9 1,-0.2 3,-0.5 0.973 112.2 40.8 -63.2 -52.1 4.4 19.6 28.4 48 49 A G H 4 S+ 0 0 2 -6,-2.2 -27,-1.1 1,-0.2 5,-0.3 0.711 109.0 60.6 -69.9 -22.8 7.0 17.9 26.2 49 50 A K H < S+ 0 0 139 -4,-1.7 -27,-0.5 -7,-0.2 -1,-0.2 0.836 118.4 28.3 -72.5 -31.9 9.5 20.8 26.5 50 51 A K H < S+ 0 0 118 -4,-1.3 -27,-2.4 -3,-0.5 -28,-0.3 0.879 122.0 44.2 -92.6 -47.7 9.6 20.3 30.3 51 52 A W E < S- c 0 23A 21 -4,-2.9 2,-1.3 -5,-0.2 -30,-0.6 -0.646 87.2-106.9-104.7 155.5 8.9 16.6 30.9 52 53 A R E - c 0 25A 85 -28,-1.2 -26,-2.7 -29,-0.7 2,-0.5 -0.693 42.5-164.6 -81.3 94.3 10.1 13.5 29.1 53 54 A V E - c 0 26A 0 -2,-1.3 -34,-2.4 -5,-0.3 2,-0.5 -0.736 6.2-168.3 -88.1 127.3 6.9 12.6 27.2 54 55 A I E +Bc 18 27A 0 -28,-3.0 -26,-3.0 -2,-0.5 -36,-0.2 -0.976 8.7 176.1-120.0 119.5 6.9 9.1 25.8 55 56 A A E -B 17 0A 0 -38,-2.9 -38,-1.0 -2,-0.5 -26,-0.1 -0.821 9.7-179.7-130.6 88.8 4.2 8.2 23.3 56 57 A P E -B 16 0A 1 0, 0.0 2,-0.5 0, 0.0 -26,-0.5 -0.355 28.4-116.7 -82.3 168.5 4.4 4.7 21.8 57 58 A D - 0 0 0 -42,-2.3 -42,-0.3 -22,-0.2 3,-0.1 -0.920 30.7-123.5-102.1 127.6 2.2 3.0 19.3 58 59 A L > - 0 0 2 -2,-0.5 3,-2.2 -27,-0.1 6,-0.3 -0.308 43.8 -80.8 -59.2 152.0 0.3 -0.0 20.6 59 60 A P T 3 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.261 123.4 24.2 -48.2 140.4 0.9 -3.3 18.6 60 61 A G T 3 S+ 0 0 0 5,-2.5 120,-2.4 1,-0.2 2,-0.3 0.450 112.6 92.9 79.1 2.2 -1.4 -3.2 15.6 61 62 A H S X S- 0 0 1 -3,-2.2 3,-1.9 4,-0.4 -1,-0.2 -0.892 85.0 -26.5-130.4 153.8 -1.5 0.6 15.6 62 63 A G T 3 S- 0 0 9 -28,-0.5 -27,-0.1 113,-0.4 -2,-0.0 -0.128 121.9 -17.2 50.5-129.9 0.4 3.5 14.1 63 64 A K T 3 S+ 0 0 123 -48,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.377 111.6 102.2 -93.7 0.8 4.0 2.8 13.1 64 65 A S S < S- 0 0 4 -3,-1.9 -50,-0.2 -6,-0.3 2,-0.1 -0.437 78.5-107.9 -74.7 158.3 4.3 -0.3 15.3 65 66 A T - 0 0 40 -52,-2.3 -5,-2.5 1,-0.1 -4,-0.4 -0.409 41.6 -88.6 -75.3 163.3 4.0 -3.7 13.6 66 67 A D - 0 0 63 -7,-0.2 -53,-0.3 -6,-0.2 -1,-0.1 -0.349 64.6 -78.9 -59.3 156.8 1.0 -5.9 14.0 67 68 A A - 0 0 8 1,-0.1 -55,-0.2 -55,-0.1 -1,-0.1 -0.328 26.9-136.7 -61.7 140.1 1.2 -8.1 17.1 68 69 A I S S+ 0 0 89 -57,-2.1 -1,-0.1 1,-0.3 -56,-0.1 0.901 104.7 21.6 -57.2 -39.9 3.4 -11.3 16.7 69 70 A D >> - 0 0 25 -58,-0.3 4,-2.3 1,-0.1 3,-1.6 -0.853 68.4-171.3-134.7 94.1 0.5 -13.0 18.6 70 71 A P H 3> S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.818 87.8 60.9 -53.1 -33.8 -2.8 -11.2 18.4 71 72 A D H 34 S+ 0 0 57 1,-0.2 7,-0.1 2,-0.2 318,-0.0 0.730 113.4 36.0 -69.0 -23.8 -4.3 -13.7 21.0 72 73 A R H <4 S+ 0 0 8 -3,-1.6 -1,-0.2 287,-0.1 3,-0.1 0.825 125.4 35.7 -89.9 -41.7 -1.7 -12.5 23.5 73 74 A S H < S+ 0 0 0 -4,-2.3 2,-1.9 1,-0.2 -2,-0.2 0.811 92.2 78.9 -91.6 -35.9 -1.4 -8.8 22.7 74 75 A Y S < S+ 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 116,-0.2 -0.504 77.6 80.5 -87.5 74.0 -4.8 -7.4 21.7 75 76 A S S > S- 0 0 3 -2,-1.9 4,-3.1 1,-0.1 5,-0.3 -0.956 90.1-101.5-161.5 159.6 -6.5 -6.9 25.0 76 77 A M H > S+ 0 0 9 111,-0.3 4,-1.7 -2,-0.3 -1,-0.1 0.925 125.6 42.2 -53.9 -44.2 -6.5 -4.3 27.7 77 78 A E H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 113.3 52.8 -73.4 -34.0 -4.2 -6.5 29.8 78 79 A G H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 110.1 47.6 -67.0 -41.9 -2.1 -7.6 26.8 79 80 A Y H X S+ 0 0 3 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.865 109.2 54.8 -64.0 -37.8 -1.5 -4.0 25.9 80 81 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.911 107.9 49.9 -61.7 -41.8 -0.6 -3.3 29.5 81 82 A D H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 111.0 49.3 -58.8 -46.0 2.0 -6.0 29.3 82 83 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 111.8 47.1 -62.6 -44.6 3.4 -4.5 26.2 83 84 A M H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 110.4 53.0 -66.8 -35.1 3.7 -1.0 27.6 84 85 A T H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.915 109.5 49.4 -64.0 -42.1 5.3 -2.4 30.8 85 86 A E H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 109.5 52.1 -62.4 -42.2 7.9 -4.1 28.6 86 87 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.939 110.0 47.7 -58.0 -48.0 8.5 -0.9 26.7 87 88 A M H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.873 109.9 53.3 -65.3 -35.3 9.1 1.0 29.9 88 89 A Q H ><5S+ 0 0 59 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.922 109.2 48.7 -60.8 -46.2 11.4 -1.7 31.2 89 90 A Q H 3<5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 110.6 51.1 -64.4 -33.6 13.5 -1.5 28.0 90 91 A L T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.512 112.4-123.0 -80.6 -6.6 13.6 2.3 28.3 91 92 A G T < 5 + 0 0 68 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.732 67.6 132.8 75.2 23.2 14.8 1.9 31.9 92 93 A I < + 0 0 15 -5,-2.5 3,-0.2 -6,-0.1 -1,-0.2 -0.919 20.0 161.1-117.3 112.3 11.9 3.9 33.4 93 94 A A S S+ 0 0 59 -2,-0.6 23,-0.4 1,-0.1 -1,-0.1 0.609 70.8 50.1-101.4 -15.3 10.1 2.5 36.4 94 95 A D + 0 0 60 23,-0.1 -1,-0.1 21,-0.1 24,-0.1 -0.087 69.9 147.5-125.8 34.5 8.4 5.6 37.8 95 96 A A - 0 0 0 -3,-0.2 23,-1.8 22,-0.1 24,-0.6 -0.302 49.5-123.0 -62.0 148.7 6.5 7.3 35.0 96 97 A V E -de 26 119A 0 -71,-2.2 -69,-2.7 22,-0.2 2,-0.5 -0.778 35.8-141.7 -75.4 140.6 3.3 9.2 35.5 97 98 A V E -de 27 120A 0 22,-2.7 24,-2.8 -2,-0.4 2,-0.5 -0.946 19.7-171.3-114.7 132.1 0.9 7.6 33.1 98 99 A F E -de 28 121A 0 -71,-3.2 -69,-2.9 -2,-0.5 2,-0.5 -0.989 11.1-170.6-113.3 125.6 -1.8 9.3 31.0 99 100 A G E -de 29 122A 0 22,-2.8 24,-2.1 -2,-0.5 2,-0.7 -0.978 10.6-153.3-122.8 128.8 -4.2 7.0 29.2 100 101 A W E > - e 0 123A 4 -71,-2.9 3,-2.6 -2,-0.5 2,-0.3 -0.882 59.3 -56.3-101.9 111.1 -6.7 8.1 26.6 101 102 A S T >> S+ 0 0 20 22,-3.1 4,-1.8 -2,-0.7 3,-1.0 -0.380 139.7 16.2 69.4-117.8 -9.8 6.0 26.3 102 103 A L H 3> S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.908 129.3 59.5 -48.3 -41.2 -8.6 2.4 25.5 103 104 A G H <> S+ 0 0 0 -3,-2.6 4,-2.2 1,-0.2 -2,-0.3 0.818 100.9 52.9 -59.6 -33.4 -5.3 3.8 26.8 104 105 A G H <> S+ 0 0 0 -3,-1.0 4,-2.0 19,-0.3 -1,-0.2 0.892 108.1 49.7 -68.1 -40.7 -6.9 4.7 30.1 105 106 A H H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.898 111.2 50.4 -61.5 -40.8 -8.2 1.1 30.5 106 107 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.925 107.5 53.6 -61.3 -44.3 -4.7 -0.1 29.7 107 108 A G H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.881 105.9 52.7 -59.4 -38.9 -3.3 2.3 32.3 108 109 A I H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.924 109.4 48.9 -62.0 -44.1 -5.6 0.7 34.9 109 110 A E H >X S+ 0 0 3 -4,-1.9 3,-0.5 1,-0.2 4,-0.5 0.802 105.0 61.3 -63.3 -28.5 -4.3 -2.7 34.0 110 111 A M H 3X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.4 0.700 81.7 81.8 -71.2 -20.3 -0.8 -1.3 34.3 111 112 A I H << S+ 0 0 31 -3,-1.0 3,-0.2 -4,-0.8 -1,-0.2 0.920 97.2 41.4 -53.5 -43.7 -1.3 -0.5 38.0 112 113 A A H <4 S+ 0 0 21 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.775 120.8 43.1 -72.7 -26.8 -0.5 -4.1 39.0 113 114 A R H < S+ 0 0 7 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.603 116.9 43.1 -95.0 -15.4 2.3 -4.5 36.5 114 115 A Y >< + 0 0 12 -4,-2.0 3,-1.9 -3,-0.2 -1,-0.2 -0.685 66.8 173.4-136.0 68.8 4.1 -1.1 37.0 115 116 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.637 73.3 57.8 -67.8 -16.9 4.1 -0.7 40.8 116 117 A E T 3 S+ 0 0 130 -23,-0.4 -23,-0.1 3,-0.0 -5,-0.1 0.329 71.1 139.1 -95.1 9.0 6.3 2.5 40.9 117 118 A M < - 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