==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-03 1NOU . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.L.MARK,D.J.MAHURAN,M.M.CHERNEY,D.ZHAO,S.KNAPP,M.N.G.JAMES . 960 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 676 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 5.5 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 . 4 0.4 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 . 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 . 82 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 7 4 0 0 1 5 0 1 3 2 2 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 7 3 4 4 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 4 1 1 2 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 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 55 A A 0 0 36 0, 0.0 2,-0.4 0, 0.0 457,-0.0 0.000 360.0 360.0 360.0 54.9 26.3 15.3 8.5 2 56 A L - 0 0 13 109,-0.1 3,-0.2 4,-0.0 460,-0.1 -0.789 360.0-150.4 -97.1 137.0 23.9 18.3 8.4 3 57 A W S S+ 0 0 0 1,-0.4 2,-0.2 -2,-0.4 160,-0.1 -0.869 87.5 25.7-155.2 116.8 21.7 19.0 11.5 4 58 A P S S- 0 0 0 0, 0.0 -1,-0.4 0, 0.0 437,-0.1 0.617 104.6-121.1 -65.8 156.2 19.1 20.3 11.1 5 59 A L - 0 0 42 -3,-0.2 441,-0.3 -2,-0.2 444,-0.1 -0.547 32.3-118.8 -67.4 122.1 18.7 18.9 7.6 6 60 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 123,-0.1 -0.260 18.0-111.7 -61.5 154.5 18.4 21.9 5.1 7 61 A L S S+ 0 0 86 1,-0.2 2,-0.4 123,-0.1 122,-0.2 0.914 102.5 14.6 -48.8 -55.0 15.3 22.4 3.0 8 62 A S E +A 128 0A 28 120,-2.7 120,-2.0 2,-0.0 2,-0.4 -0.987 66.6 178.3-133.2 123.5 17.1 21.7 -0.2 9 63 A V E +A 127 0A 54 -2,-0.4 2,-0.4 118,-0.2 118,-0.2 -0.980 2.9 173.0-127.9 119.8 20.6 20.1 -0.6 10 64 A K E +A 126 0A 139 116,-2.4 116,-2.7 -2,-0.4 2,-0.3 -0.982 12.6 177.2-128.8 115.8 22.2 19.4 -4.0 11 65 A M E -A 125 0A 97 -2,-0.4 114,-0.2 114,-0.2 -2,-0.0 -0.827 18.0-147.7-119.0 157.1 25.8 18.2 -4.1 12 66 A T E - 0 0 47 112,-2.7 112,-0.2 -2,-0.3 -2,-0.0 -0.768 29.0-116.7-114.2 162.8 28.3 17.1 -6.7 13 67 A P E S+ 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 0.419 80.9 114.9 -76.5 2.6 31.1 14.5 -6.4 14 68 A N E - 0 0 84 110,-0.2 110,-2.5 1,-0.0 2,-0.3 -0.656 56.2-153.0 -79.6 118.6 33.7 17.3 -7.0 15 69 A L E -A 123 0A 77 -2,-0.5 2,-0.3 108,-0.2 108,-0.2 -0.736 9.7-168.2 -94.5 140.6 35.8 17.9 -3.9 16 70 A L E -A 122 0A 0 106,-2.6 106,-2.2 -2,-0.3 2,-0.3 -0.947 12.3-137.5-125.5 149.2 37.5 21.2 -3.1 17 71 A H E -Ab 121 56A 66 38,-3.4 40,-2.3 -2,-0.3 2,-0.4 -0.745 7.4-148.9-110.1 153.6 40.2 21.8 -0.5 18 72 A L - 0 0 11 102,-1.5 102,-0.4 -2,-0.3 5,-0.1 -0.955 4.4-149.8-124.1 141.4 40.6 24.6 2.1 19 73 A A > - 0 0 30 38,-0.4 3,-2.1 -2,-0.4 100,-0.0 -0.949 11.6-148.2-110.8 110.5 43.8 26.1 3.5 20 74 A P G > S+ 0 0 49 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.863 98.0 39.5 -50.7 -47.3 43.3 27.4 7.1 21 75 A E G 3 S+ 0 0 152 1,-0.2 657,-0.1 656,-0.1 3,-0.0 0.279 122.3 45.4 -87.7 13.6 45.9 30.3 6.9 22 76 A N G < S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.0 -3,-0.3 -0.192 93.2 91.1-142.1 41.0 44.7 31.1 3.3 23 77 A F < - 0 0 1 -3,-0.8 2,-0.3 -5,-0.1 36,-0.2 -0.965 51.7-178.3-138.5 122.5 40.9 30.9 3.7 24 78 A Y E -c 59 0A 89 34,-1.4 36,-2.1 -2,-0.4 2,-0.5 -0.874 22.8-147.5-123.1 151.9 38.9 34.0 4.6 25 79 A I E +c 60 0A 16 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.991 39.8 157.7-113.8 123.4 35.3 34.8 5.3 26 80 A S E -c 61 0A 33 34,-2.0 36,-2.6 -2,-0.5 2,-0.3 -0.885 44.0 -84.0-145.6 171.3 34.4 38.3 4.1 27 81 A H E -c 62 0A 32 -2,-0.3 36,-0.2 34,-0.2 34,-0.1 -0.638 42.3-123.0 -78.5 129.9 31.7 40.7 2.9 28 82 A S > - 0 0 9 34,-2.2 3,-2.1 -2,-0.3 36,-0.2 -0.492 26.2-117.5 -68.8 144.3 30.8 40.6 -0.7 29 83 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.749 114.6 51.2 -58.4 -25.5 31.3 44.1 -2.3 30 84 A N T 3 S+ 0 0 128 2,-0.0 33,-0.1 0, 0.0 -2,-0.0 0.391 86.8 115.9 -88.0 -1.8 27.6 44.4 -3.0 31 85 A S < - 0 0 19 -3,-2.1 34,-0.2 31,-0.2 32,-0.1 -0.300 66.9-137.0 -68.1 153.4 26.4 43.5 0.5 32 86 A T S S+ 0 0 71 32,-2.2 2,-0.3 34,-0.3 36,-0.2 0.575 88.2 72.5 -81.2 -14.5 24.6 45.9 2.8 33 87 A A + 0 0 11 31,-0.2 31,-0.2 29,-0.1 -2,-0.1 -0.742 59.7 162.8-100.1 153.9 26.8 44.9 5.7 34 88 A G > - 0 0 22 -2,-0.3 3,-2.3 -7,-0.0 7,-0.2 -0.731 58.4 -55.3-147.4-166.3 30.5 45.7 6.1 35 89 A P T 3 S+ 0 0 37 0, 0.0 6,-0.1 0, 0.0 631,-0.1 0.750 124.5 68.0 -52.0 -31.4 33.3 45.8 8.7 36 90 A S T 3 S+ 0 0 81 629,-0.1 2,-1.3 1,-0.1 3,-0.1 0.733 76.8 95.4 -59.2 -26.3 31.1 48.0 10.9 37 91 A a <> - 0 0 5 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 -0.562 53.9-177.0 -74.9 93.7 28.8 45.0 11.4 38 92 A T H > S+ 0 0 15 -2,-1.3 4,-2.8 1,-0.2 5,-0.3 0.875 79.0 59.0 -55.9 -43.6 30.0 43.6 14.7 39 93 A L H > S+ 0 0 1 31,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 111.6 38.6 -56.3 -49.2 27.6 40.7 14.5 40 94 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 114.5 54.3 -71.2 -38.1 28.9 39.4 11.2 41 95 A E H X S+ 0 0 29 -4,-2.4 4,-1.8 -7,-0.2 -2,-0.2 0.915 110.7 45.4 -61.4 -44.3 32.6 40.1 12.1 42 96 A E H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.890 113.3 50.7 -67.6 -37.4 32.4 38.1 15.3 43 97 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.910 106.9 54.4 -64.6 -41.8 30.6 35.3 13.5 44 98 A F H X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.927 112.0 44.6 -56.3 -45.4 33.3 35.2 10.7 45 99 A R H X S+ 0 0 78 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.908 113.9 46.4 -71.5 -41.3 36.0 34.8 13.3 46 100 A R H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.885 112.4 50.4 -72.4 -33.8 34.3 32.1 15.5 47 101 A Y H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.799 103.1 60.4 -71.8 -28.2 33.3 30.0 12.5 48 102 A H H X S+ 0 0 39 -4,-1.5 4,-1.9 -5,-0.3 5,-0.3 0.961 108.8 44.7 -57.9 -48.8 36.8 30.2 11.2 49 103 A G H X S+ 0 0 40 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.859 112.8 49.9 -62.2 -40.2 37.8 28.5 14.4 50 104 A Y H < S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.5 50.5 -65.0 -45.0 35.0 25.9 14.2 51 105 A I H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.903 130.1 16.1 -57.8 -44.3 35.8 25.0 10.6 52 106 A F H < 0 0 19 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.882 360.0 360.0-102.8 -46.3 39.5 24.4 11.3 53 107 A G < 0 0 110 -4,-1.9 -3,-0.1 -5,-0.3 -2,-0.1 0.627 360.0 360.0 -4.0 360.0 40.1 24.0 15.1 54 ! 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 55 122 A T 0 0 95 0, 0.0 -38,-3.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -25.8 40.3 22.5 -6.3 56 123 A Q B -b 17 0A 76 -40,-0.2 2,-0.8 -38,-0.0 -38,-0.2 -0.781 360.0-160.0 -97.0 122.1 40.8 25.4 -3.8 57 124 A V + 0 0 0 -40,-2.3 -38,-0.4 -2,-0.5 33,-0.2 -0.865 20.2 172.6 -87.2 111.3 38.0 27.3 -2.1 58 125 A Q + 0 0 67 31,-2.8 -34,-1.4 -2,-0.8 2,-0.3 0.697 56.9 19.1 -92.7 -25.3 39.9 30.5 -1.2 59 126 A Q E -cd 24 90A 51 30,-1.3 32,-2.9 -36,-0.2 2,-0.6 -0.999 50.6-149.5-150.2 146.3 37.0 32.5 0.1 60 127 A L E -cd 25 91A 0 -36,-2.1 -34,-2.0 -2,-0.3 2,-0.4 -0.982 27.7-158.2-112.5 110.1 33.5 32.4 1.5 61 128 A L E -cd 26 92A 32 30,-3.2 32,-3.1 -2,-0.6 2,-0.5 -0.789 1.7-152.5 -90.8 136.5 31.8 35.7 0.5 62 129 A V E -cd 27 93A 0 -36,-2.6 -34,-2.2 -2,-0.4 2,-0.6 -0.946 10.0-169.1-115.7 118.3 28.8 36.7 2.5 63 130 A S E - d 0 94A 8 30,-3.4 32,-2.3 -2,-0.5 2,-0.6 -0.926 9.1-164.7-115.1 114.2 26.2 38.9 0.8 64 131 A I E - d 0 95A 0 -2,-0.6 -32,-2.2 30,-0.2 32,-0.2 -0.885 7.7-169.2 -94.5 121.5 23.3 40.6 2.8 65 132 A T + 0 0 65 30,-2.4 31,-0.2 -2,-0.6 2,-0.2 0.821 62.4 31.1 -82.5 -40.0 20.7 41.7 0.2 66 133 A L S S- 0 0 72 30,-2.0 -34,-0.3 29,-0.3 29,-0.1 -0.547 117.9 -44.4-110.2 177.6 18.3 43.9 2.2 67 134 A Q - 0 0 166 -2,-0.2 -1,-0.2 1,-0.1 31,-0.1 -0.246 64.2-135.5 -41.9 120.9 18.9 46.3 5.2 68 135 A S - 0 0 19 -36,-0.2 30,-2.3 29,-0.1 31,-0.3 0.791 6.6-142.7 -64.2 -31.8 21.0 44.0 7.3 69 136 A E > + 0 0 66 28,-0.2 3,-1.2 29,-0.1 -1,-0.1 0.703 46.6 151.4 66.8 28.9 19.4 44.5 10.7 70 137 A a T 3 S+ 0 0 10 1,-0.3 -31,-0.2 28,-0.0 -37,-0.0 0.806 70.2 36.9 -54.1 -44.1 23.0 44.2 12.1 71 138 A D T 3 S+ 0 0 133 -33,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.314 103.1 91.8 -95.9 5.3 22.3 46.4 15.2 72 139 A A S < S- 0 0 40 -3,-1.2 0, 0.0 140,-0.1 0, 0.0 -0.451 76.7-111.7 -97.9 168.4 18.8 45.2 15.9 73 140 A F - 0 0 85 -2,-0.1 144,-0.1 202,-0.1 -2,-0.1 -0.776 39.1-107.2 -94.2 144.0 17.4 42.4 18.1 74 141 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.353 39.7-172.4 -67.9 153.6 15.8 39.4 16.4 75 142 A N > - 0 0 48 201,-0.1 3,-1.9 142,-0.1 142,-0.0 -0.820 41.4 -83.2-137.7 178.8 12.0 39.0 16.5 76 143 A I T 3 S+ 0 0 35 1,-0.3 141,-0.0 -2,-0.3 -1,-0.0 0.819 126.1 44.7 -57.6 -35.7 9.4 36.5 15.6 77 144 A S T 3 S+ 0 0 100 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.286 80.1 138.7 -93.1 11.3 9.2 37.6 11.9 78 145 A S < - 0 0 16 -3,-1.9 2,-0.7 1,-0.1 19,-0.0 -0.335 58.2-120.1 -58.7 135.5 13.0 37.8 11.4 79 146 A D + 0 0 50 1,-0.1 21,-0.7 51,-0.0 18,-0.3 -0.712 36.9 170.8 -83.3 112.8 14.0 36.4 8.0 80 147 A E + 0 0 8 -2,-0.7 -1,-0.1 19,-0.2 24,-0.1 0.186 35.0 124.4-105.2 11.8 16.4 33.4 8.6 81 148 A S + 0 0 31 49,-0.1 15,-0.5 22,-0.1 16,-0.4 -0.331 30.2 158.2 -73.9 154.6 16.5 32.2 4.9 82 149 A Y E -E 129 0A 7 47,-2.1 47,-2.1 13,-0.2 2,-0.4 -0.978 31.1-138.4-163.3 162.3 19.7 31.8 3.0 83 150 A T E -EF 128 94A 46 11,-2.7 11,-2.5 -2,-0.3 2,-0.4 -0.968 13.8-157.4-124.8 150.5 21.3 30.2 0.0 84 151 A L E -EF 127 93A 0 43,-2.7 43,-2.5 -2,-0.4 2,-0.6 -0.986 5.3-171.1-130.8 119.9 24.8 28.7 0.0 85 152 A L E -EF 126 92A 68 7,-3.0 7,-2.5 -2,-0.4 2,-0.7 -0.932 7.4-165.2-111.7 106.3 26.8 28.2 -3.2 86 153 A V E +E 125 0A 4 39,-3.0 39,-1.5 -2,-0.6 2,-0.3 -0.825 33.3 129.0 -96.0 112.4 30.0 26.2 -2.6 87 154 A K - 0 0 86 -2,-0.7 -2,-0.1 37,-0.2 -71,-0.0 -0.951 50.6 -58.2-154.9 169.2 32.3 26.5 -5.5 88 155 A E S S+ 0 0 100 -2,-0.3 -31,-0.2 1,-0.2 -2,-0.0 -0.786 106.2 2.2 -99.8 143.6 35.9 27.3 -6.5 89 156 A P S S+ 0 0 74 0, 0.0 -31,-2.8 0, 0.0 -30,-1.3 -0.992 134.9 20.0 -86.1 -9.3 37.6 29.7 -6.1 90 157 A V E -d 59 0A 30 -32,-0.2 -30,-0.2 -33,-0.2 2,-0.2 -0.974 62.5-155.9-127.9 117.8 34.9 31.7 -4.1 91 158 A A E -d 60 0A 0 -32,-2.9 -30,-3.2 -2,-0.5 2,-0.4 -0.538 16.9-144.0 -82.9 158.4 31.9 30.3 -2.3 92 159 A V E -dF 61 85A 36 -7,-2.5 -7,-3.0 -32,-0.2 2,-0.5 -0.990 15.4-168.5-133.5 125.7 28.9 32.6 -1.7 93 160 A L E -dF 62 84A 0 -32,-3.1 -30,-3.4 -2,-0.4 2,-0.4 -0.972 18.1-173.8-107.8 122.3 26.5 32.8 1.2 94 161 A K E +dF 63 83A 110 -11,-2.5 -11,-2.7 -2,-0.5 2,-0.3 -0.967 10.3 160.5-122.8 134.6 23.5 35.0 0.3 95 162 A A E -d 64 0A 3 -32,-2.3 -30,-2.4 -2,-0.4 -29,-0.3 -0.992 45.3-128.4-151.8 148.8 20.8 36.1 2.7 96 163 A N S S+ 0 0 55 -15,-0.5 -30,-2.0 -2,-0.3 2,-0.3 0.914 94.4 6.3 -61.0 -42.6 18.1 38.7 3.0 97 164 A R S >> S- 0 0 55 -16,-0.4 4,-1.5 -18,-0.3 3,-0.6 -0.816 83.2 -94.1-135.1 171.3 19.4 39.6 6.5 98 165 A V H 3> S+ 0 0 0 -30,-2.3 4,-2.2 -2,-0.3 5,-0.2 0.847 117.1 64.6 -47.7 -41.6 22.0 39.0 9.1 99 166 A W H 3> S+ 0 0 3 -31,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.869 104.1 45.0 -59.1 -41.5 19.8 36.3 10.7 100 167 A G H <> S+ 0 0 0 -21,-0.7 4,-2.5 -3,-0.6 -1,-0.2 0.844 108.8 56.6 -71.6 -36.0 20.0 34.1 7.6 101 168 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.893 105.2 52.3 -62.9 -37.9 23.7 34.6 7.2 102 169 A L H X S+ 0 0 5 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.928 110.2 47.5 -64.0 -45.6 24.3 33.3 10.8 103 170 A R H X S+ 0 0 6 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.933 112.4 50.8 -58.9 -44.3 22.3 30.2 10.0 104 171 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.786 104.2 56.5 -65.4 -33.3 24.2 29.7 6.7 105 172 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.898 106.5 51.3 -63.6 -40.3 27.6 30.0 8.5 106 173 A E H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.943 111.7 46.5 -61.1 -45.8 26.6 27.1 10.8 107 174 A T H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 3,-0.3 0.897 108.2 55.5 -64.4 -43.5 25.7 25.0 7.7 108 175 A F H >X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.2 3,-1.1 0.932 106.5 51.5 -53.3 -47.0 28.9 25.8 5.9 109 176 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 106.0 54.9 -63.8 -27.4 30.9 24.6 8.9 110 177 A Q H 3< S+ 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.663 105.6 53.9 -78.3 -17.6 28.9 21.3 8.9 111 178 A L H << S+ 0 0 16 -3,-1.1 12,-0.4 -4,-1.0 2,-0.3 0.739 91.3 83.5 -85.3 -28.3 29.9 20.8 5.2 112 179 A V < + 0 0 14 -4,-1.2 2,-0.3 10,-0.1 10,-0.2 -0.638 59.6 160.6 -77.3 135.9 33.7 21.2 5.8 113 180 A Y E -G 121 0A 96 8,-2.9 8,-3.5 -2,-0.3 2,-0.5 -0.946 38.5-113.3-147.8 165.0 35.3 17.9 6.9 114 181 A Q E -G 120 0A 112 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.914 28.3-141.7-104.9 130.1 38.8 16.3 7.1 115 182 A D > - 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