==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 13-OCT-98 1PSZ . COMPND 2 MOLECULE: PROTEIN (SURFACE ANTIGEN PSAA); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.C.LAWRENCE,P.A.PILLING,V.C.EPA,A.M.BERRY,A.D.OGUNNIYI, . 286 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 1 0 1 1 1 2 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 24 A K 0 0 190 0, 0.0 2,-0.4 0, 0.0 137,-0.2 0.000 360.0 360.0 360.0 -46.5 25.0 41.8 47.5 2 25 A K - 0 0 104 136,-2.0 2,-1.1 135,-0.1 139,-0.4 -0.894 360.0-152.3-117.1 139.4 22.0 39.4 48.0 3 26 A D > + 0 0 85 -2,-0.4 3,-1.1 1,-0.2 4,-0.2 -0.721 24.8 174.8-101.3 80.9 21.8 35.8 49.1 4 27 A T G > + 0 0 12 -2,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.824 69.5 67.7 -61.5 -28.4 18.6 35.1 47.2 5 28 A T G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.852 101.9 47.1 -62.0 -33.3 18.7 31.4 48.1 6 29 A S G < S+ 0 0 102 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.377 129.8 2.9 -87.9 9.3 18.0 32.3 51.8 7 30 A G S < S- 0 0 52 -3,-1.8 3,-0.1 1,-0.2 -3,-0.1 -0.560 103.0 -20.5-158.3-143.4 15.1 34.7 50.7 8 31 A Q - 0 0 139 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.285 67.8 -90.2 -82.0 164.3 13.1 36.0 47.8 9 32 A K - 0 0 89 1,-0.1 22,-0.2 -4,-0.1 -1,-0.1 -0.314 59.9 -84.8 -60.8 158.6 14.0 36.1 44.1 10 33 A L E -a 31 0A 0 20,-0.8 22,-2.5 -3,-0.1 2,-0.6 -0.464 43.0-132.2 -62.6 137.5 15.8 39.2 43.0 11 34 A K E -a 32 0A 70 20,-0.2 49,-2.9 47,-0.2 50,-1.8 -0.877 30.9-176.1 -96.9 120.3 13.3 42.0 42.2 12 35 A V E -ab 33 61A 3 20,-3.2 22,-2.1 -2,-0.6 2,-0.4 -0.935 14.0-166.9-122.2 140.9 14.2 43.6 38.9 13 36 A V E -ab 34 62A 2 48,-2.4 50,-2.7 -2,-0.4 2,-0.4 -0.987 3.0-169.1-126.0 136.2 12.6 46.5 37.0 14 37 A A E -ab 35 63A 0 20,-2.9 22,-2.3 -2,-0.4 50,-0.2 -0.950 22.3-136.7-121.8 145.3 13.3 47.4 33.4 15 38 A T E S+ 0 0 0 48,-1.8 22,-2.7 -2,-0.4 2,-0.3 0.771 81.7 12.8 -73.0 -27.8 12.1 50.7 31.8 16 39 A N E > S-a 37 0A 3 20,-0.2 4,-2.4 47,-0.2 5,-0.2 -0.941 79.6-101.1-146.8 165.8 10.8 49.2 28.6 17 40 A S H > S+ 0 0 8 20,-0.5 4,-2.0 -2,-0.3 252,-0.1 0.719 114.5 57.8 -63.3 -26.7 9.9 45.9 26.9 18 41 A I H > S+ 0 0 1 239,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.934 112.2 40.2 -68.0 -49.2 13.2 45.6 24.9 19 42 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.912 115.7 52.9 -65.7 -38.5 15.3 45.7 28.0 20 43 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.920 109.0 49.0 -59.9 -45.8 12.8 43.5 29.8 21 44 A D H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 111.5 47.5 -63.2 -47.9 12.9 40.9 27.0 22 45 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.945 112.6 52.0 -55.6 -46.6 16.7 40.8 26.9 23 46 A T H >X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 3,-0.9 0.911 106.8 51.8 -55.2 -46.3 16.6 40.5 30.8 24 47 A K H 3X S+ 0 0 122 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.889 105.7 56.0 -59.4 -40.4 14.2 37.5 30.6 25 48 A N H 3< S+ 0 0 61 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.759 115.4 38.0 -63.0 -28.9 16.5 35.8 28.2 26 49 A I H << S+ 0 0 0 -4,-1.1 123,-0.3 -3,-0.9 -2,-0.2 0.862 127.7 29.2 -86.4 -44.2 19.3 36.1 30.7 27 50 A A H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 -3,-0.2 0.586 75.7 178.9 -95.6 -22.4 17.5 35.5 34.0 28 51 A G G >< S- 0 0 40 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 -0.061 72.9 -17.9 54.7-137.2 14.6 33.2 33.2 29 52 A D G 3 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.0 -5,-0.0 0.288 114.8 94.1 -84.9 10.7 12.5 32.3 36.3 30 53 A K G < S+ 0 0 57 -3,-2.2 -20,-0.8 -21,-0.1 2,-0.3 0.611 86.9 43.5 -72.3 -21.1 15.3 33.3 38.7 31 54 A I E < S-a 10 0A 12 -3,-0.9 2,-0.6 -22,-0.2 -20,-0.2 -0.845 75.2-123.3-125.8 166.0 13.8 36.8 39.1 32 55 A D E -a 11 0A 68 -22,-2.5 -20,-3.2 -2,-0.3 2,-0.4 -0.953 42.5-165.3-101.6 117.8 10.6 38.8 39.6 33 56 A L E -a 12 0A 53 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.979 16.9-176.3-120.9 133.5 10.6 41.2 36.6 34 57 A H E -a 13 0A 28 -22,-2.1 -20,-2.9 -2,-0.4 2,-0.5 -0.984 9.5-158.7-125.0 132.4 8.5 44.3 36.0 35 58 A S E -a 14 0A 41 -2,-0.4 -20,-0.2 -22,-0.2 -18,-0.1 -0.962 3.7-160.7-111.8 130.9 8.7 46.4 32.8 36 59 A I E + 0 0 5 -22,-2.3 -20,-0.2 -2,-0.5 -1,-0.2 0.983 68.4 60.7 -79.6 -66.2 7.4 50.0 33.0 37 60 A V E S-a 16 0A 4 -22,-2.7 -20,-0.5 -23,-0.1 3,-0.1 -0.532 88.0-120.8 -71.8 124.4 6.6 51.3 29.6 38 61 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 -21,-0.1 -0.176 34.6 -87.9 -60.2 151.4 3.8 49.3 28.0 39 62 A I T 3 S+ 0 0 58 1,-0.3 221,-0.1 -23,-0.1 3,-0.1 -0.296 117.0 22.4 -56.4 131.7 4.3 47.5 24.7 40 63 A G T 3 S+ 0 0 33 219,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.350 102.1 111.5 89.0 -4.7 3.5 49.9 21.8 41 64 A Q S < S- 0 0 96 -3,-2.2 -1,-0.3 216,-0.1 192,-0.1 -0.665 75.7-101.1-105.7 152.4 4.0 53.0 23.9 42 65 A D - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 216,-0.1 -0.583 24.9-167.5 -68.9 126.7 6.7 55.7 23.7 43 66 A P S S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.545 77.0 76.6 -88.5 -10.5 9.4 55.2 26.3 44 67 A H S S+ 0 0 0 1,-0.3 28,-1.8 26,-0.1 2,-0.5 0.943 110.2 21.0 -65.0 -47.5 11.0 58.7 25.7 45 68 A E S S+ 0 0 89 26,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.956 83.6 153.2-123.7 110.8 8.2 60.5 27.6 46 69 A Y - 0 0 28 -2,-0.5 -9,-0.1 26,-0.3 -10,-0.0 -0.985 36.8-141.2-138.8 149.2 6.2 58.3 30.1 47 70 A E - 0 0 143 -2,-0.3 26,-0.0 29,-0.0 -2,-0.0 -0.916 28.9-130.6-111.6 104.9 4.3 59.0 33.3 48 71 A P - 0 0 29 0, 0.0 -11,-0.0 0, 0.0 -12,-0.0 -0.160 18.9-141.3 -56.6 140.3 4.9 56.2 35.8 49 72 A L >> - 0 0 92 -13,-0.1 4,-2.1 1,-0.1 3,-0.7 -0.561 33.0 -91.7 -94.5 168.2 1.8 54.7 37.4 50 73 A P H 3> S+ 0 0 113 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 126.8 53.2 -47.0 -45.4 1.4 53.6 41.1 51 74 A E H 3> S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.896 107.7 51.2 -63.1 -35.4 2.5 50.1 40.3 52 75 A D H <> S+ 0 0 4 -3,-0.7 4,-2.5 2,-0.2 5,-0.3 0.913 111.3 48.0 -64.2 -43.6 5.7 51.4 38.6 53 76 A V H X S+ 0 0 63 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.963 113.6 47.1 -63.6 -45.3 6.5 53.5 41.7 54 77 A K H X S+ 0 0 108 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.959 115.7 43.8 -60.2 -53.0 5.9 50.5 44.0 55 78 A K H X S+ 0 0 72 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.853 113.6 50.5 -60.9 -41.7 8.0 48.1 42.0 56 79 A T H >< S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.944 111.3 49.3 -63.0 -42.6 10.8 50.6 41.5 57 80 A S H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.892 116.2 41.9 -65.3 -36.8 10.9 51.3 45.2 58 81 A E H 3< S+ 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.522 92.3 118.8 -86.3 -7.4 11.0 47.6 46.1 59 82 A A << - 0 0 4 -4,-0.8 -47,-0.2 -3,-0.7 3,-0.1 -0.289 49.3-163.8 -64.1 146.8 13.5 46.7 43.3 60 83 A D S S+ 0 0 33 -49,-2.9 2,-0.3 1,-0.3 -48,-0.2 0.685 85.4 23.3 -90.8 -27.9 16.9 45.2 44.0 61 84 A L E -b 12 0A 0 -50,-1.8 -48,-2.4 2,-0.0 2,-0.4 -0.994 64.3-166.9-146.0 132.8 18.0 46.1 40.5 62 85 A I E -bc 13 92A 0 29,-2.3 31,-2.7 -2,-0.3 2,-0.5 -0.992 5.7-165.6-126.0 121.6 16.8 48.7 37.9 63 86 A F E +bc 14 93A 0 -50,-2.7 -48,-1.8 -2,-0.4 2,-0.3 -0.959 14.7 165.6-107.4 131.0 17.8 48.6 34.2 64 87 A Y E - c 0 94A 35 29,-1.9 31,-2.7 -2,-0.5 32,-0.3 -0.870 42.5-114.8-135.1 168.5 17.2 51.7 32.0 65 88 A N - 0 0 0 -2,-0.3 31,-1.1 29,-0.2 2,-0.1 0.920 41.5-169.6 -73.4 -44.7 18.6 52.5 28.5 66 89 A G > + 0 0 5 29,-0.1 3,-1.1 28,-0.1 4,-0.2 -0.441 52.0 92.4 81.1-161.5 20.6 55.6 29.4 67 90 A I T 3 S- 0 0 26 1,-0.2 50,-0.1 -2,-0.1 -1,-0.1 0.807 120.2 -53.7 36.8 51.8 22.1 57.8 26.6 68 91 A N T 3 S+ 0 0 26 46,-0.1 -1,-0.2 47,-0.1 3,-0.2 0.789 106.0 117.2 66.0 34.2 19.1 60.2 26.5 69 92 A L S X S+ 0 0 0 -3,-1.1 2,-1.2 1,-0.1 3,-0.6 0.914 77.3 35.6 -88.3 -67.8 16.2 57.7 26.0 70 93 A E T 3 S+ 0 0 4 1,-0.2 7,-1.7 -4,-0.2 8,-0.4 -0.176 90.0 102.3 -83.8 46.2 14.1 58.1 29.2 71 94 A T T 3> + 0 0 57 -2,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.512 49.7 98.2-110.6 -5.2 14.6 61.9 29.5 72 95 A G H <> + 0 0 5 -28,-1.8 4,-2.4 -3,-0.6 -26,-0.3 -0.198 65.0 55.2 -74.5 173.6 11.4 63.4 28.1 73 96 A G H 4 S- 0 0 27 2,-0.2 -1,-0.2 1,-0.2 -28,-0.1 0.912 142.8 -58.5 65.6 40.0 8.6 64.5 30.5 74 97 A N H 4 S- 0 0 151 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.958 112.0 -39.2 47.5 56.1 11.2 66.7 32.2 75 98 A A H X S- 0 0 27 -4,-2.2 4,-2.3 3,-0.1 -2,-0.2 0.962 74.0-176.5 65.6 64.7 13.4 63.6 32.9 76 99 A W H X S+ 0 0 6 -4,-2.4 4,-2.1 -32,-0.3 -5,-0.2 0.873 81.2 48.4 -61.5 -42.4 10.8 61.0 33.9 77 100 A F H > S+ 0 0 6 -7,-1.7 4,-2.5 -5,-0.2 5,-0.3 0.939 110.4 52.8 -66.0 -41.5 13.2 58.3 34.7 78 101 A T H > S+ 0 0 83 -8,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.927 110.6 47.2 -56.8 -44.3 15.3 60.7 36.8 79 102 A K H X S+ 0 0 84 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.876 110.5 53.5 -67.1 -38.1 12.2 61.7 38.8 80 103 A L H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.929 112.8 41.4 -61.3 -49.8 11.2 58.0 39.3 81 104 A V H <>S+ 0 0 4 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.857 113.5 53.8 -71.9 -30.8 14.5 57.0 40.7 82 105 A E H ><5S+ 0 0 133 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.967 111.4 45.6 -61.0 -52.8 14.8 60.1 42.8 83 106 A N H 3<5S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.809 113.7 49.1 -59.2 -34.5 11.3 59.4 44.3 84 107 A A T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.477 110.5-125.7 -86.3 0.8 12.2 55.7 44.9 85 108 A K T < 5 + 0 0 185 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.946 54.4 155.4 55.5 51.3 15.5 56.8 46.6 86 109 A K < - 0 0 37 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.818 33.9-136.6-109.5 149.6 17.7 54.7 44.3 87 110 A T >>> - 0 0 72 -2,-0.3 4,-3.0 1,-0.0 3,-1.6 -0.873 22.1-106.8-115.6 136.4 21.4 55.4 43.4 88 111 A E B 345S+d 92 0A 103 -2,-0.4 5,-0.2 1,-0.3 -1,-0.0 -0.400 102.4 6.9 -59.6 135.5 23.1 55.2 40.1 89 112 A N T 345S+ 0 0 82 3,-3.0 -1,-0.3 1,-0.1 4,-0.1 0.597 128.8 60.9 64.8 20.6 25.4 52.2 39.7 90 113 A K T <45S+ 0 0 122 -3,-1.6 -2,-0.2 2,-0.3 -1,-0.1 0.545 127.2 1.3-132.5 -53.2 24.3 50.7 43.0 91 114 A D T <5S+ 0 0 32 -4,-3.0 -29,-2.3 1,-0.2 2,-0.3 0.741 131.9 41.0-108.6 -37.0 20.5 50.2 42.3 92 115 A Y E < -cd 62 88A 40 -5,-1.6 -3,-3.0 -31,-0.2 2,-0.4 -0.883 64.5-171.3-124.3 140.0 20.0 51.4 38.7 93 116 A F E -c 63 0A 14 -31,-2.7 -29,-1.9 -2,-0.3 2,-0.6 -0.998 24.5-128.1-134.0 134.7 22.3 50.7 35.7 94 117 A A E > -c 64 0A 7 -2,-0.4 3,-1.6 -31,-0.2 -29,-0.2 -0.764 15.7-156.5 -82.3 124.4 22.3 52.0 32.2 95 118 A V T 3 S+ 0 0 0 -31,-2.7 35,-0.3 -2,-0.6 -30,-0.2 0.654 88.5 67.5 -80.1 -8.8 22.5 49.0 29.9 96 119 A S T > + 0 0 3 -31,-1.1 3,-2.2 -32,-0.3 -1,-0.3 0.439 68.6 128.7 -83.4 -0.9 24.0 51.0 27.1 97 120 A D T < S+ 0 0 76 -3,-1.6 33,-0.1 1,-0.3 3,-0.1 -0.405 75.0 22.5 -59.5 127.2 27.3 51.5 29.1 98 121 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.319 90.8 122.8 98.5 -7.9 30.1 50.5 26.8 99 122 A V S < S- 0 0 11 -3,-2.2 2,-0.7 1,-0.1 -1,-0.4 -0.551 75.0-105.0 -78.1 155.8 28.4 51.0 23.4 100 123 A D - 0 0 145 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.766 46.2-132.4 -78.4 114.6 30.0 53.4 21.0 101 124 A V - 0 0 53 -2,-0.7 2,-0.4 12,-0.0 -1,-0.0 -0.513 19.7-163.4 -75.5 139.1 27.7 56.4 21.3 102 125 A I - 0 0 45 12,-0.5 12,-2.4 -2,-0.2 2,-0.2 -0.943 19.4-144.1-112.0 138.4 26.3 58.3 18.3 103 126 A Y B -E 113 0B 76 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.548 27.4 -82.6-100.4 171.7 24.9 61.8 19.1 104 127 A L S > S- 0 0 10 8,-2.9 3,-2.1 -2,-0.2 -1,-0.1 -0.362 73.9 -70.9 -63.2 151.7 21.9 63.7 17.7 105 128 A E T 3 S+ 0 0 114 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.162 119.6 4.1 -53.3 129.1 22.9 65.5 14.5 106 129 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.629 112.0 103.4 72.8 12.8 25.3 68.4 15.0 107 130 A Q < + 0 0 70 -3,-2.1 -1,-0.2 5,-0.1 -4,-0.2 -0.849 34.1 165.4-122.7 158.0 25.6 67.7 18.7 108 131 A N + 0 0 125 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.294 43.2 107.8-153.6 11.0 28.4 66.0 20.6 109 132 A E S > S- 0 0 127 1,-0.1 3,-2.2 3,-0.1 -2,-0.0 -0.637 77.4 -86.8-103.7 156.0 27.8 66.7 24.3 110 133 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.232 115.8 29.4 -48.2 134.6 26.6 64.6 27.2 111 134 A G T 3 S+ 0 0 35 -3,-0.1 -1,-0.3 3,-0.0 -40,-0.0 0.309 104.8 79.8 89.3 -6.2 22.8 64.5 27.3 112 135 A K < + 0 0 93 -3,-2.2 -8,-2.9 2,-0.1 -2,-0.1 -0.036 63.0 132.3-118.5 21.6 22.4 65.0 23.6 113 136 A E B -E 103 0B 18 -10,-0.3 -10,-0.3 -5,-0.1 -5,-0.0 -0.313 64.6-115.8 -66.2 157.4 23.1 61.3 22.6 114 137 A D - 0 0 0 -12,-2.4 -12,-0.5 1,-0.1 -45,-0.1 -0.885 28.3-155.5 -91.5 122.7 20.9 59.5 20.1 115 138 A P + 0 0 0 0, 0.0 2,-2.3 0, 0.0 3,-0.4 0.653 64.2 99.2 -81.1 -10.8 19.5 56.7 22.3 116 139 A H > + 0 0 0 1,-0.2 3,-1.3 2,-0.1 71,-0.3 -0.131 37.4 136.2 -77.3 45.0 18.6 54.0 19.8 117 140 A A G > + 0 0 0 -2,-2.3 3,-1.5 1,-0.3 6,-0.3 0.827 56.6 70.5 -63.3 -32.9 21.7 51.9 20.3 118 141 A W G 3 S+ 0 0 1 -3,-0.4 -1,-0.3 1,-0.3 6,-0.3 0.554 77.1 79.1 -65.7 -10.9 19.9 48.5 20.3 119 142 A L G < S+ 0 0 0 -3,-1.3 2,-0.5 65,-0.2 -1,-0.3 0.449 84.1 70.9 -77.3 -1.0 19.1 48.7 16.5 120 143 A N S X> S- 0 0 14 -3,-1.5 3,-1.6 1,-0.1 4,-1.3 -0.989 85.2-145.2-104.6 117.1 22.7 47.6 16.0 121 144 A L H 3> S+ 0 0 0 -2,-0.5 4,-2.0 1,-0.3 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