==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-11 3QFM . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.L.JIANG,J.W.ZHANG,W.L.YU,W.CHENG,C.C.ZHANG,C.Z.ZHOU,Y.CHEN . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 14.0 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 . 6 1.2 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 . 2 0.4 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 1 0 4 2 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 PARALLEL BRIDGES PER LADDER . 3 0 0 0 5 2 0 1 1 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 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 3 A M 0 0 151 0, 0.0 2,-0.5 0, 0.0 206,-0.2 0.000 360.0 360.0 360.0 161.4 -9.0 -17.5 -27.3 2 4 A T E -A 206 0A 41 204,-2.6 204,-2.5 2,-0.0 2,-0.5 -0.980 360.0-159.4-119.7 126.8 -11.6 -15.4 -29.2 3 5 A K E -A 205 0A 50 -2,-0.5 27,-2.4 202,-0.2 28,-1.5 -0.930 14.9-169.8-107.5 125.7 -11.1 -11.8 -30.1 4 6 A I E -Ab 204 31A 0 200,-3.2 200,-2.6 -2,-0.5 2,-0.6 -0.952 14.9-150.7-122.1 128.8 -14.4 -9.9 -30.9 5 7 A A E -Ab 203 32A 0 26,-2.3 28,-2.5 -2,-0.5 2,-0.6 -0.886 13.3-146.8 -93.0 125.2 -14.9 -6.5 -32.4 6 8 A L E -Ab 202 33A 0 196,-2.7 196,-1.0 -2,-0.6 2,-0.6 -0.811 14.6-166.8 -87.5 120.6 -18.1 -4.7 -31.2 7 9 A L E + b 0 34A 0 26,-3.0 28,-2.7 -2,-0.6 29,-0.4 -0.952 17.5 164.5-111.0 118.3 -19.4 -2.6 -34.1 8 10 A S + 0 0 0 -2,-0.6 175,-2.6 192,-0.3 176,-0.3 -0.982 48.6 3.5-136.5 147.6 -22.1 -0.1 -33.0 9 11 A D + 0 0 0 27,-2.3 175,-2.2 -2,-0.4 176,-0.7 0.920 58.0 163.0 54.6 51.7 -23.9 3.0 -34.3 10 12 A I > - 0 0 1 27,-0.7 3,-2.3 26,-0.4 28,-0.2 0.870 20.5-169.1 -66.0 -40.2 -22.2 3.2 -37.7 11 13 A H T 3 - 0 0 0 26,-2.6 31,-1.6 1,-0.3 28,-0.3 0.834 66.3 -61.4 53.8 37.9 -25.0 5.5 -38.8 12 14 A G T 3 S+ 0 0 0 26,-2.7 32,-3.2 1,-0.2 2,-1.6 0.563 88.8 150.8 70.4 8.9 -23.9 5.3 -42.5 13 15 A N <> - 0 0 0 -3,-2.3 4,-2.6 29,-0.2 -1,-0.2 -0.576 20.8-178.3 -81.6 89.3 -20.5 6.8 -41.9 14 16 A T H > S+ 0 0 7 -2,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.891 75.3 44.5 -55.0 -54.6 -18.6 5.0 -44.7 15 17 A T H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 114.1 50.7 -66.3 -37.3 -15.1 6.3 -44.2 16 18 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 112.1 47.2 -65.4 -48.0 -15.2 5.7 -40.4 17 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.927 110.7 51.8 -58.9 -46.3 -16.5 2.1 -40.9 18 20 A E H X S+ 0 0 66 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.900 111.5 47.7 -57.5 -40.9 -13.8 1.4 -43.4 19 21 A A H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.923 112.0 49.0 -67.1 -44.5 -11.1 2.7 -41.0 20 22 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.927 111.0 49.7 -60.0 -45.2 -12.5 0.6 -38.1 21 23 A L H X S+ 0 0 7 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.880 110.5 50.6 -62.5 -38.7 -12.6 -2.5 -40.2 22 24 A A H X S+ 0 0 33 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.915 111.6 48.3 -63.2 -45.3 -9.0 -2.0 -41.3 23 25 A D H X S+ 0 0 22 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.942 113.7 46.2 -58.0 -48.9 -8.0 -1.5 -37.7 24 26 A A H <>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-0.4 0.874 109.1 55.3 -62.5 -38.4 -9.9 -4.7 -36.6 25 27 A R H ><5S+ 0 0 176 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.922 107.1 50.3 -61.8 -42.0 -8.4 -6.7 -39.5 26 28 A Q H 3<5S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.708 105.4 57.2 -72.6 -20.0 -4.9 -5.8 -38.4 27 29 A L T 3<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.485 113.2-117.7 -85.1 -5.3 -5.7 -6.9 -34.8 28 30 A G T < 5 - 0 0 46 -3,-1.4 -25,-0.2 -4,-0.4 -3,-0.2 0.884 41.5-170.3 67.8 39.2 -6.6 -10.4 -36.0 29 31 A V < - 0 0 18 -5,-1.8 -25,-0.2 1,-0.1 -1,-0.2 -0.401 14.5-157.2 -61.8 137.2 -10.2 -10.1 -34.8 30 32 A D + 0 0 88 -27,-2.4 2,-0.3 1,-0.2 -26,-0.2 0.763 66.6 1.2 -87.5 -30.4 -12.0 -13.5 -35.0 31 33 A E E -b 4 0A 35 -28,-1.5 -26,-2.3 26,-0.0 2,-0.4 -0.980 61.0-130.8-157.0 164.6 -15.6 -12.3 -35.1 32 34 A Y E -bc 5 57A 9 24,-2.4 26,-1.9 -2,-0.3 27,-0.9 -0.947 7.4-157.1-124.4 137.9 -17.9 -9.2 -35.2 33 35 A W E -bc 6 59A 0 -28,-2.5 -26,-3.0 -2,-0.4 2,-0.7 -0.977 12.6-150.2-113.2 128.3 -20.9 -8.3 -33.2 34 36 A L E -bc 7 60A 2 25,-3.1 27,-2.3 -2,-0.5 -26,-0.2 -0.867 12.0-174.6-103.2 114.1 -23.3 -5.8 -34.7 35 37 A L - 0 0 0 -28,-2.7 126,-0.2 -2,-0.7 -27,-0.2 0.391 44.4-111.7 -90.5 3.3 -25.1 -3.7 -32.1 36 38 A G S S+ 0 0 1 -29,-0.4 -27,-2.3 27,-0.1 -26,-0.4 -0.257 80.3 104.6 96.3 176.0 -27.4 -1.9 -34.6 37 39 A D + 0 0 1 -28,-0.2 -26,-2.6 -29,-0.1 -27,-0.7 0.980 46.3 159.8 65.3 63.4 -28.0 1.6 -36.1 38 40 A I + 0 0 2 -28,-0.2 -26,-2.7 -29,-0.2 2,-0.3 0.937 49.0 34.5 -85.0 -51.7 -26.3 0.7 -39.3 39 41 A L S S+ 0 0 3 -28,-0.3 -28,-0.2 -27,-0.1 -1,-0.1 -0.827 77.8 73.8-113.5 151.5 -27.6 3.2 -41.9 40 42 A M S S+ 0 0 1 4,-0.4 -28,-0.1 -2,-0.3 -27,-0.1 0.504 75.3 27.0 78.1 141.6 -28.5 7.0 -41.7 41 43 A P S S+ 0 0 1 0, 0.0 -29,-0.2 0, 0.0 200,-0.1 -0.924 104.1 79.5 -93.2 21.5 -27.9 9.8 -41.6 42 44 A G S S- 0 0 1 -31,-1.6 -29,-0.2 2,-0.1 -2,-0.2 -0.046 87.7 -97.4 -81.7-175.7 -24.4 9.2 -43.2 43 45 A T S S+ 0 0 2 -31,-0.2 -30,-0.2 -3,-0.1 2,-0.1 0.758 84.8 97.1 -72.6 -32.3 -23.3 8.6 -46.8 44 46 A G + 0 0 3 -32,-3.2 -4,-0.4 1,-0.1 -2,-0.1 -0.378 28.1 137.0 -81.6 137.5 -23.1 4.8 -47.0 45 47 A R S > S+ 0 0 12 -2,-0.1 4,-2.0 -6,-0.1 3,-0.3 0.267 83.2 13.0-131.9 -92.9 -25.8 2.5 -48.4 46 48 A R H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 127.3 59.4 -53.1 -42.9 -24.8 -0.4 -50.6 47 49 A R H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 106.3 45.8 -57.2 -42.6 -21.2 0.2 -49.5 48 50 A I H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.943 113.8 47.1 -69.4 -43.8 -22.0 -0.4 -45.9 49 51 A L H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.895 114.0 49.9 -64.0 -36.6 -24.1 -3.6 -46.5 50 52 A D H X S+ 0 0 75 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.894 110.5 48.8 -64.7 -44.6 -21.3 -4.9 -48.8 51 53 A L H >< S+ 0 0 11 -4,-2.3 3,-0.6 -5,-0.2 4,-0.3 0.910 113.3 46.7 -63.6 -41.6 -18.6 -4.2 -46.2 52 54 A L H >< S+ 0 0 6 -4,-2.4 3,-2.0 1,-0.2 5,-0.2 0.906 105.1 61.6 -68.8 -39.8 -20.6 -5.9 -43.4 53 55 A D H 3< S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 97.7 57.5 -54.7 -28.1 -21.4 -8.9 -45.7 54 56 A Q T << S+ 0 0 157 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.524 96.0 89.5 -79.9 -11.3 -17.7 -9.7 -46.0 55 57 A L S < S- 0 0 34 -3,-2.0 2,-1.9 -4,-0.3 -24,-0.0 -0.631 85.0-117.5 -92.0 149.7 -17.3 -10.1 -42.3 56 58 A P + 0 0 67 0, 0.0 -24,-2.4 0, 0.0 2,-0.8 -0.575 43.1 178.1 -76.0 77.5 -17.8 -13.0 -39.8 57 59 A I E +c 32 0A 46 -2,-1.9 -24,-0.2 -5,-0.2 3,-0.1 -0.780 9.4 170.4 -85.2 112.5 -20.7 -11.3 -38.0 58 60 A T E + 0 0 55 -26,-1.9 2,-0.3 -2,-0.8 -25,-0.2 0.414 63.3 36.2-107.2 -1.9 -21.7 -13.9 -35.4 59 61 A A E +c 33 0A 3 -27,-0.9 -25,-3.1 2,-0.0 2,-0.3 -0.960 62.2 172.7-155.2 130.9 -24.1 -11.7 -33.4 60 62 A R E -c 34 0A 61 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.975 4.7-175.8-148.2 127.7 -26.5 -9.0 -34.5 61 63 A V - 0 0 2 -27,-2.3 2,-0.4 -2,-0.3 50,-0.2 -0.896 32.2 -95.7-125.5 162.4 -29.3 -7.0 -32.8 62 64 A L - 0 0 13 48,-2.3 64,-0.4 -2,-0.3 2,-0.2 -0.575 32.0-159.5 -81.8 123.8 -31.9 -4.5 -33.8 63 65 A G >> - 0 0 0 -2,-0.4 4,-1.3 63,-0.1 3,-1.2 -0.583 30.4-114.2 -93.0 156.9 -31.2 -0.7 -33.4 64 66 A N H 3> S+ 0 0 18 68,-0.9 4,-2.6 1,-0.2 5,-0.1 0.851 115.0 60.6 -58.2 -33.9 -33.9 1.9 -33.3 65 67 A W H 3> S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.712 98.9 57.9 -69.3 -19.5 -32.7 3.4 -36.7 66 68 A E H <> S+ 0 0 5 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.893 109.1 44.5 -71.9 -44.1 -33.5 0.0 -38.3 67 69 A D H X S+ 0 0 37 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.912 113.0 52.4 -58.3 -45.7 -37.1 0.4 -37.1 68 70 A S H X S+ 0 0 28 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 108.9 48.9 -58.8 -44.1 -37.0 4.0 -38.2 69 71 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.926 111.8 49.9 -59.4 -47.1 -35.9 3.0 -41.7 70 72 A W H X S+ 0 0 38 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.922 116.4 39.6 -59.0 -51.9 -38.6 0.4 -42.0 71 73 A H H <>S+ 0 0 65 -4,-2.7 5,-3.1 1,-0.2 3,-0.4 0.873 113.2 59.3 -65.1 -36.8 -41.4 2.8 -40.9 72 74 A G H ><5S+ 0 0 2 -4,-2.6 3,-1.2 -5,-0.3 -2,-0.2 0.886 106.1 43.7 -60.5 -44.7 -39.8 5.5 -43.0 73 75 A V H 3<5S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.601 112.4 55.4 -77.8 -12.0 -40.0 3.6 -46.3 74 76 A R T 3<5S- 0 0 121 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.154 113.4-121.4 -98.8 12.8 -43.5 2.6 -45.4 75 77 A K T < 5S+ 0 0 184 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.825 73.2 132.5 51.4 39.2 -44.4 6.3 -44.9 76 78 A E < + 0 0 99 -5,-3.1 2,-0.2 -6,-0.1 -4,-0.2 0.091 32.0 117.7-107.6 21.9 -45.4 5.6 -41.3 77 79 A L S S- 0 0 32 -6,-0.3 2,-1.4 -5,-0.2 3,-0.0 -0.620 76.2-105.1 -93.2 150.0 -43.5 8.4 -39.7 78 80 A D > - 0 0 75 -2,-0.2 3,-2.0 1,-0.2 6,-0.3 -0.602 30.1-165.3 -78.8 91.2 -45.1 11.3 -37.8 79 81 A S T 3 S+ 0 0 81 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.585 79.0 71.4 -43.5 -23.7 -44.9 14.2 -40.3 80 82 A T T 3 S+ 0 0 111 4,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.679 83.6 76.7 -76.7 -18.6 -45.6 16.8 -37.5 81 83 A R S X> S- 0 0 100 -3,-2.0 3,-1.3 1,-0.1 4,-1.2 -0.828 75.6-141.8 -95.6 126.9 -42.2 16.4 -35.8 82 84 A P H 3> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.863 102.0 57.2 -52.4 -40.8 -39.3 18.2 -37.5 83 85 A S H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.782 104.4 52.8 -61.8 -26.8 -36.9 15.3 -36.7 84 86 A Q H <> S+ 0 0 28 -3,-1.3 4,-2.2 -6,-0.3 -1,-0.2 0.755 105.8 51.9 -84.9 -24.6 -39.3 12.9 -38.5 85 87 A R H X S+ 0 0 102 -4,-1.2 4,-1.5 -3,-0.4 -2,-0.2 0.837 111.2 48.8 -73.4 -34.8 -39.2 15.0 -41.7 86 88 A Y H X S+ 0 0 4 -4,-1.8 4,-1.8 167,-0.2 -2,-0.2 0.948 113.3 47.7 -60.6 -50.8 -35.4 14.9 -41.5 87 89 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.881 105.2 57.8 -62.2 -43.4 -35.6 11.1 -41.0 88 90 A L H X S+ 0 0 49 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.916 107.3 49.2 -53.5 -45.2 -38.1 10.7 -43.9 89 91 A R H X S+ 0 0 115 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.851 109.8 50.4 -65.4 -38.0 -35.5 12.3 -46.3 90 92 A Q H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.877 109.2 52.6 -63.5 -37.9 -32.7 10.1 -45.0 91 93 A C H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.904 108.9 49.2 -64.5 -40.9 -35.0 7.0 -45.6 92 94 A Q H X S+ 0 0 105 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.893 109.0 53.3 -64.6 -40.9 -35.6 8.1 -49.2 93 95 A Y H >< S+ 0 0 8 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.940 110.7 46.0 -56.2 -51.8 -31.9 8.6 -49.7 94 96 A V H >X S+ 0 0 2 -4,-2.2 3,-2.2 1,-0.2 4,-2.1 0.920 105.5 61.0 -57.8 -44.0 -31.2 5.0 -48.4 95 97 A L H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.728 87.7 73.9 -60.6 -23.3 -34.0 3.6 -50.6 96 98 A E T << S+ 0 0 144 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.763 117.8 15.0 -56.5 -30.1 -32.3 4.8 -53.7 97 99 A E T <4 S+ 0 0 81 -3,-2.2 2,-0.4 -4,-0.3 -2,-0.2 0.577 117.9 71.3-120.4 -22.2 -29.7 2.0 -53.3 98 100 A I S < S- 0 0 2 -4,-2.1 -1,-0.1 3,-0.0 2,-0.1 -0.868 74.7-130.3-107.3 134.4 -31.3 -0.5 -50.9 99 101 A S > - 0 0 53 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.383 19.9-117.2 -82.3 156.6 -34.2 -2.7 -51.7 100 102 A L H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.867 117.9 55.1 -55.1 -38.3 -37.4 -3.1 -49.7 101 103 A E H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 107.2 50.2 -62.4 -40.2 -36.5 -6.8 -49.2 102 104 A E H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.869 108.2 51.7 -68.0 -35.0 -33.1 -5.7 -47.8 103 105 A I H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.858 105.2 57.1 -68.4 -33.1 -34.8 -3.3 -45.4 104 106 A E H X S+ 0 0 76 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.935 106.4 49.0 -59.7 -45.5 -37.1 -6.2 -44.3 105 107 A V H < S+ 0 0 84 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 110.4 51.4 -58.5 -46.1 -33.9 -8.2 -43.4 106 108 A L H < S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 112.6 46.2 -56.5 -40.3 -32.6 -5.1 -41.4 107 109 A H H < S+ 0 0 35 -4,-2.1 2,-1.7 1,-0.2 -1,-0.2 0.786 98.1 73.8 -73.2 -31.4 -35.9 -4.9 -39.5 108 110 A N S < S+ 0 0 104 -4,-1.8 -1,-0.2 -3,-0.2 -4,-0.0 -0.529 70.2 117.5 -91.2 67.5 -36.0 -8.6 -38.8 109 111 A Q - 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