==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-04 1UWT . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.M.GLOSTER,S.ROBERTS,V.M-A.DUCROS,G.PERUGINO,M.ROSSI, . 968 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 65 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 4 3 1 2 1 4 1 2 2 0 4 0 2 2 2 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 4 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 3 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 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 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 0 109 0, 0.0 2,-0.4 0, 0.0 469,-0.2 0.000 360.0 360.0 360.0 149.4 144.3 36.8 80.7 2 2 A Y E -A 469 0A 56 467,-2.2 467,-2.3 2,-0.0 2,-0.3 -0.941 360.0-163.7-126.9 107.2 140.8 35.5 80.9 3 3 A S E -A 468 0A 61 -2,-0.4 465,-0.2 465,-0.2 464,-0.1 -0.714 4.7-146.7 -99.7 140.4 140.8 31.7 80.4 4 4 A F - 0 0 19 463,-2.7 404,-0.0 -2,-0.3 -2,-0.0 -0.683 35.0 -82.6-101.3 157.0 137.7 29.6 79.5 5 5 A P > - 0 0 57 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.152 42.7-113.7 -46.9 150.9 136.9 26.0 80.5 6 6 A N T 3 S+ 0 0 177 1,-0.3 -2,-0.0 -3,-0.1 461,-0.0 0.726 116.8 51.3 -63.0 -24.3 138.6 23.4 78.3 7 7 A S T 3 S+ 0 0 89 2,-0.1 -1,-0.3 412,-0.0 2,-0.2 0.445 84.4 112.6 -93.0 -5.3 135.2 22.3 77.0 8 8 A F < - 0 0 17 -3,-1.3 2,-0.4 459,-0.1 411,-0.2 -0.482 54.8-150.2 -73.5 137.7 134.1 25.8 76.0 9 9 A R E -b 419 0B 83 409,-1.9 411,-2.1 -2,-0.2 2,-0.4 -0.920 10.3-157.9-119.2 136.8 133.7 26.5 72.3 10 10 A F E +b 420 0B 7 -2,-0.4 66,-3.0 64,-0.3 67,-0.7 -0.917 39.6 116.8-103.6 135.6 134.1 29.6 70.2 11 11 A G E -bc 421 77B 0 409,-2.9 411,-2.4 -2,-0.4 2,-0.3 -0.645 48.4 -90.1-161.5-141.0 132.3 29.7 66.9 12 12 A W E -bc 422 78B 0 65,-1.2 67,-1.9 409,-0.4 2,-0.3 -0.981 14.5-135.9-154.5 157.6 129.7 31.5 64.8 13 13 A S E + c 0 79B 0 409,-1.9 412,-0.5 -2,-0.3 411,-0.5 -0.874 22.2 173.3-117.2 157.0 126.0 31.5 63.8 14 14 A Q - 0 0 4 65,-1.7 2,-0.4 -2,-0.3 67,-0.2 -0.964 21.8-134.7-159.7 150.0 124.5 32.0 60.3 15 15 A A > - 0 0 2 -2,-0.3 4,-1.8 65,-0.1 5,-0.4 -0.930 17.0-129.6-116.6 147.2 121.0 31.8 58.7 16 16 A G H > S+ 0 0 3 -2,-0.4 4,-2.7 1,-0.2 5,-0.4 0.935 106.1 46.1 -61.9 -51.6 120.1 30.0 55.5 17 17 A F H 4 S+ 0 0 5 1,-0.2 4,-0.3 132,-0.2 -1,-0.2 0.844 115.2 48.6 -60.7 -35.2 118.1 32.8 53.8 18 18 A Q H 4 S+ 0 0 4 1,-0.1 411,-2.3 410,-0.1 -1,-0.2 0.838 128.3 16.3 -77.3 -30.0 120.8 35.4 54.7 19 19 A S H < S+ 0 0 0 -4,-1.8 40,-3.1 -3,-0.2 41,-0.3 0.694 105.2 74.7-118.1 -26.2 123.9 33.5 53.5 20 20 A E S < S+ 0 0 5 -4,-2.7 40,-2.3 -5,-0.4 41,-0.5 0.927 81.5 72.2 -63.9 -49.3 123.0 30.6 51.2 21 21 A M + 0 0 4 -5,-0.4 37,-2.4 -4,-0.3 38,-0.3 -0.240 58.5 79.1 -76.8 154.0 122.1 32.4 47.9 22 22 A G S S+ 0 0 17 1,-0.6 -1,-0.2 35,-0.2 32,-0.1 0.044 72.3 88.3 143.1 -26.5 124.5 34.1 45.6 23 23 A T S > S- 0 0 20 -3,-0.5 3,-2.0 1,-0.1 -1,-0.6 -0.738 92.0 -83.4 -98.3 150.9 126.1 31.3 43.6 24 24 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.203 115.9 17.8 -49.2 128.9 124.6 29.8 40.3 25 25 A G T 3 S+ 0 0 78 -3,-0.0 -4,-0.0 1,-0.0 0, 0.0 0.482 96.3 102.0 90.5 3.2 121.9 27.3 41.1 26 26 A S < + 0 0 4 -3,-2.0 -5,-0.1 28,-0.1 34,-0.0 0.457 44.1 130.2 -99.1 -6.3 121.3 28.4 44.7 27 27 A E - 0 0 103 -4,-0.2 27,-0.0 1,-0.1 -7,-0.0 -0.245 32.5-175.3 -60.7 132.6 118.1 30.3 44.2 28 28 A D + 0 0 8 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.828 11.5 166.7-126.2 91.7 115.2 29.5 46.6 29 29 A P + 0 0 46 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.408 52.9 92.3 -81.2 2.5 112.2 31.6 45.4 30 30 A N + 0 0 62 4,-0.1 124,-2.5 55,-0.0 2,-0.3 -0.006 62.6 91.4-100.8 30.7 109.7 29.6 47.5 31 31 A T B > S-K 153 0C 0 -3,-0.3 4,-2.1 122,-0.3 5,-0.2 -0.853 76.6-121.8-114.8 163.3 109.5 31.5 50.8 32 32 A D H > S+ 0 0 5 120,-2.3 4,-3.0 -2,-0.3 5,-0.1 0.929 115.7 53.2 -58.3 -41.7 107.3 34.2 52.2 33 33 A W H > S+ 0 0 5 119,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 106.5 51.4 -65.7 -40.8 110.6 36.3 52.8 34 34 A Y H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.969 114.1 42.6 -59.0 -50.1 111.7 35.9 49.2 35 35 A K H X S+ 0 0 72 -4,-2.1 4,-0.7 1,-0.2 3,-0.3 0.921 112.6 56.5 -64.2 -40.0 108.3 37.1 47.9 36 36 A W H >< S+ 0 0 2 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.908 108.4 44.1 -57.3 -46.0 108.3 39.9 50.5 37 37 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 13,-0.2 0.702 114.3 50.7 -79.2 -16.7 111.6 41.4 49.5 38 38 A H H 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.479 81.5 122.3 -89.5 -5.8 110.7 41.2 45.8 39 39 A D S+ 0 0 100 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.843 98.3 48.1 -56.0 -40.5 107.0 46.1 44.2 41 41 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.890 111.2 49.9 -70.0 -41.2 104.7 47.8 46.7 42 42 A N H 4>S+ 0 0 1 2,-0.2 5,-2.0 1,-0.2 6,-1.2 0.890 113.0 48.9 -60.3 -38.9 107.0 47.0 49.6 43 43 A M H ><5S+ 0 0 81 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.958 111.0 47.8 -65.9 -48.2 109.9 48.4 47.6 44 44 A A H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 112.0 50.5 -64.2 -33.7 108.1 51.6 46.7 45 45 A A T 3<5S- 0 0 70 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.566 110.5-123.9 -74.9 -14.1 107.1 52.1 50.3 46 46 A G T < 5S+ 0 0 57 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.668 74.3 128.7 72.5 20.2 110.7 51.6 51.4 47 47 A L S - 0 0 40 -2,-0.1 3,-1.8 -3,-0.1 -18,-0.1 -0.959 11.8-134.6-126.7 136.3 117.7 40.9 46.8 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 376,-0.1 0.742 99.1 72.4 -62.5 -24.8 119.0 37.7 48.5 54 54 A E G 3 S+ 0 0 39 1,-0.3 -32,-0.2 -32,-0.1 -28,-0.1 0.590 93.4 58.8 -70.5 -8.1 119.9 35.9 45.3 55 55 A N G < S+ 0 0 87 -3,-1.8 -1,-0.3 -34,-0.1 -33,-0.1 0.127 90.7 122.8 -99.3 25.1 122.8 38.4 45.0 56 56 A G S < S- 0 0 0 -3,-1.7 -37,-0.1 1,-0.1 372,-0.1 0.251 81.9 -75.8 -85.9-165.4 124.2 37.2 48.4 57 57 A P - 0 0 1 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.568 60.5-129.8 -75.6 -9.4 127.5 35.8 49.8 58 58 A G > + 0 0 0 -37,-2.4 4,-2.6 -39,-0.1 3,-0.4 0.867 44.7 162.2 67.5 47.1 126.8 32.3 48.3 59 59 A Y H > S+ 0 0 4 -40,-3.1 4,-1.6 -38,-0.3 -39,-0.2 0.849 71.6 69.5 -64.1 -30.4 127.3 29.8 51.1 60 60 A W H 4 S+ 0 0 25 -40,-2.3 -1,-0.2 -41,-0.3 -39,-0.1 0.929 117.1 20.5 -50.8 -49.5 125.3 27.2 49.0 61 61 A G H 4 S+ 0 0 40 -41,-0.5 3,-0.3 -3,-0.4 -2,-0.2 0.780 131.7 43.8 -89.4 -29.1 128.1 27.0 46.5 62 62 A N H >X + 0 0 49 -4,-2.6 4,-1.6 -42,-0.2 3,-1.0 0.225 68.6 120.9-107.0 12.8 131.1 28.3 48.6 63 63 A Y H 3X S+ 0 0 25 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.737 71.2 60.6 -47.2 -33.3 130.6 26.6 52.0 64 64 A K H 3> S+ 0 0 115 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.902 105.5 47.2 -65.9 -44.2 134.0 24.9 51.8 65 65 A T H <> S+ 0 0 66 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.861 111.4 51.5 -58.1 -42.8 135.8 28.3 51.7 66 66 A F H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 3,-0.2 0.963 113.9 44.3 -59.6 -51.6 133.6 29.5 54.6 67 67 A H H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.839 108.8 57.2 -64.7 -36.1 134.6 26.4 56.6 68 68 A D H X S+ 0 0 68 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.874 111.5 42.9 -59.8 -41.9 138.3 26.7 55.6 69 69 A N H X S+ 0 0 26 -4,-1.9 4,-1.6 -3,-0.2 -2,-0.2 0.845 111.4 53.7 -73.6 -38.4 138.4 30.2 57.1 70 70 A A H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 -2,-0.2 0.882 111.0 47.0 -63.5 -38.9 136.5 29.2 60.1 71 71 A Q H ><5S+ 0 0 96 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.922 110.5 51.6 -67.2 -47.1 139.0 26.4 60.7 72 72 A K H 3<5S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.819 106.6 56.1 -55.3 -30.4 141.9 28.8 60.2 73 73 A M T 3<5S- 0 0 0 -4,-1.6 392,-0.3 -5,-0.1 -1,-0.3 0.418 117.3-116.1 -84.9 -0.4 140.3 31.1 62.7 74 74 A G T < 5 + 0 0 21 -3,-1.8 -64,-0.3 1,-0.2 -3,-0.2 0.636 56.7 161.7 76.6 15.3 140.3 28.2 65.3 75 75 A L < - 0 0 5 -5,-2.3 -64,-0.2 1,-0.1 -1,-0.2 -0.392 20.8-178.0 -72.6 149.1 136.6 28.0 65.6 76 76 A K + 0 0 54 -66,-3.0 66,-2.6 1,-0.1 2,-0.3 0.277 59.9 46.6-131.3 4.5 135.1 24.8 67.1 77 77 A I E -cd 11 142B 0 -67,-0.7 -65,-1.2 64,-0.3 2,-0.3 -0.993 53.5-175.6-148.5 151.5 131.3 25.3 66.9 78 78 A A E -cd 12 143B 0 64,-2.0 66,-2.8 -2,-0.3 2,-0.4 -0.989 11.2-158.8-147.6 143.0 128.7 26.4 64.3 79 79 A R E +cd 13 144B 0 -67,-1.9 -65,-1.7 -2,-0.3 2,-0.3 -0.995 28.3 153.0-125.0 125.1 125.0 27.0 64.4 80 80 A L E - d 0 145B 6 64,-1.6 66,-2.8 -2,-0.4 2,-0.3 -0.884 28.6-133.9-140.5 162.7 123.2 26.9 61.1 81 81 A N E - d 0 146B 3 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.903 11.7-126.5-120.8 159.3 119.6 26.1 59.9 82 82 A V - 0 0 0 64,-1.2 2,-0.8 -2,-0.3 67,-0.2 -0.794 32.7-120.8 -88.9 140.6 118.0 24.1 57.1 83 83 A E >> - 0 0 2 -2,-0.4 3,-1.7 1,-0.2 4,-1.1 -0.824 13.2-151.0 -86.2 111.2 115.5 26.1 55.0 84 84 A W H >> S+ 0 0 5 -2,-0.8 4,-2.9 63,-0.3 3,-0.7 0.870 95.3 59.0 -37.4 -51.3 112.1 24.4 55.3 85 85 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 66,-0.2 67,-0.1 0.732 100.5 53.8 -57.1 -31.0 111.3 25.7 51.8 86 86 A R H <4 S+ 0 0 23 -3,-1.7 39,-0.3 2,-0.1 -1,-0.2 0.819 114.5 40.7 -76.9 -30.9 114.2 24.0 50.1 87 87 A I H << S+ 0 0 0 -4,-1.1 35,-2.7 -3,-0.7 -2,-0.2 0.899 130.8 25.0 -81.9 -47.0 113.2 20.6 51.5 88 88 A F < + 0 0 2 -4,-2.9 -1,-0.2 33,-0.2 -2,-0.1 -0.645 66.7 156.3-117.6 73.3 109.4 21.0 51.0 89 89 A P + 0 0 31 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 0.719 67.0 52.4 -69.6 -17.5 108.9 23.5 48.2 90 90 A N S S- 0 0 119 30,-0.3 30,-0.0 -3,-0.1 -60,-0.0 -0.787 99.6 -87.2-116.8 158.2 105.4 22.1 47.3 91 91 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.202 35.0-132.7 -67.0 152.2 102.5 21.5 49.6 92 92 A L - 0 0 13 1,-0.1 25,-0.0 -4,-0.1 89,-0.0 -0.715 39.6 -80.2 -95.5 159.4 102.0 18.3 51.6 93 93 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.296 52.2-101.1 -55.9 137.9 98.7 16.4 51.8 94 94 A R 0 0 82 1,-0.1 83,-0.0 -3,-0.1 0, 0.0 -0.421 360.0 360.0 -56.4 134.6 96.1 17.9 54.2 95 95 A P 0 0 65 0, 0.0 -1,-0.1 0, 0.0 85,-0.0 -0.387 360.0 360.0 -78.3 360.0 96.5 15.5 57.2 96 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 98 A F 0 0 114 0, 0.0 2,-0.7 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 118.5 93.3 17.3 62.3 98 99 A D > - 0 0 89 1,-0.1 3,-1.9 78,-0.0 78,-0.0 -0.869 360.0-161.7-108.5 102.6 90.8 20.0 63.1 99 100 A E T 3 S+ 0 0 54 -2,-0.7 77,-0.4 1,-0.3 78,-0.1 0.605 87.1 63.2 -61.8 -13.4 92.0 23.5 62.0 100 101 A S T 3 S+ 0 0 99 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.592 76.4 102.5 -89.6 -16.2 89.5 25.3 64.3 101 102 A K < - 0 0 60 -3,-1.9 75,-0.1 1,-0.1 0, 0.0 -0.586 63.9-149.0 -68.6 128.7 90.9 23.9 67.6 102 103 A Q S S+ 0 0 113 -2,-0.3 2,-0.3 74,-0.0 -1,-0.1 0.880 76.2 59.7 -62.4 -45.2 93.0 26.5 69.4 103 104 A D - 0 0 34 137,-0.0 2,-0.6 2,-0.0 3,-0.1 -0.706 57.8-163.5 -97.1 141.2 95.4 24.1 71.0 104 105 A V + 0 0 13 -2,-0.3 140,-0.1 1,-0.1 3,-0.1 -0.915 22.8 162.5-115.6 96.8 97.7 21.6 69.4 105 106 A T + 0 0 78 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.690 63.6 18.0 -91.4 -22.2 98.6 19.3 72.3 106 107 A E - 0 0 146 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.997 49.2-170.9-151.0 146.3 99.9 16.4 70.2 107 108 A V - 0 0 22 -2,-0.3 2,-0.4 137,-0.1 -3,-0.0 -0.926 25.3-143.3-135.5 108.8 101.2 15.6 66.8 108 109 A E + 0 0 133 -2,-0.4 2,-0.4 5,-0.0 -2,-0.0 -0.600 25.6 170.5 -78.0 127.5 101.7 11.9 66.1 109 110 A I + 0 0 19 -2,-0.4 2,-0.3 4,-0.0 -2,-0.1 -0.997 2.8 168.4-135.9 131.6 104.6 11.0 64.0 110 111 A N > - 0 0 67 -2,-0.4 4,-2.4 1,-0.0 5,-0.2 -0.842 52.1 -88.4-133.1 174.4 105.9 7.5 63.5 111 112 A E H > S+ 0 0 115 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.846 125.5 51.3 -50.7 -42.8 108.3 5.7 61.2 112 113 A N H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 109.5 48.6 -66.6 -45.8 105.6 5.1 58.6 113 114 A E H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.887 111.1 52.2 -60.4 -37.0 104.6 8.8 58.5 114 115 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.862 107.4 51.3 -66.2 -38.1 108.3 9.8 58.2 115 116 A K H X S+ 0 0 92 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.864 110.2 49.5 -66.8 -36.8 108.7 7.4 55.2 116 117 A R H >X S+ 0 0 117 -4,-1.9 3,-1.3 2,-0.2 4,-0.5 0.929 110.2 50.5 -64.7 -48.0 105.6 9.1 53.5 117 118 A L H >X S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.3 4,-0.9 0.910 100.8 64.0 -53.0 -44.1 107.1 12.5 54.1 118 119 A D H 3< S+ 0 0 38 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.768 92.7 63.4 -55.9 -26.3 110.3 11.3 52.6 119 120 A E H << S+ 0 0 111 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.772 107.2 42.6 -68.2 -26.2 108.4 10.9 49.3 120 121 A Y H << S+ 0 0 118 -3,-2.0 -30,-0.3 -4,-0.5 -1,-0.2 0.598 90.7 105.8 -94.6 -15.0 107.7 14.6 49.1 121 122 A A S < S- 0 0 5 -4,-0.9 2,-0.6 -3,-0.3 -33,-0.2 -0.396 78.3-111.2 -74.8 144.3 111.1 16.0 50.2 122 123 A N > - 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