==== 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 SERINE PROTEASE INHIBITOR 24-SEP-99 1QMB . COMPND 2 MOLECULE: ALPHA-1-ANTITRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,N.S.PANNU,B.HAZES,R.J.READ,D.A.LOMAS, . 368 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 42 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 1 0 0 1 2 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 0 1 3 4 0 1 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 1 0 1 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 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 25 A K 0 0 181 0, 0.0 4,-0.1 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 -24.1 2.6 39.5 57.3 2 26 A I > + 0 0 6 69,-0.1 4,-2.4 2,-0.1 3,-0.3 0.371 360.0 101.2-123.4 -3.3 0.9 41.6 54.6 3 27 A T H > S+ 0 0 19 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.901 85.0 49.6 -49.9 -46.5 3.5 41.1 51.8 4 28 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.878 107.6 54.2 -62.2 -37.2 1.2 38.5 50.2 5 29 A N H > S+ 0 0 30 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.920 114.3 41.2 -62.3 -44.0 -1.8 40.8 50.4 6 30 A L H >X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 3,-0.6 0.983 110.9 55.6 -65.9 -58.6 0.2 43.5 48.5 7 31 A A H 3X S+ 0 0 5 -4,-3.3 4,-1.8 1,-0.3 -2,-0.2 0.896 114.2 41.5 -38.7 -54.1 1.7 41.0 46.1 8 32 A E H 3X S+ 0 0 51 -4,-2.6 4,-2.9 1,-0.2 -1,-0.3 0.811 111.3 55.7 -68.4 -30.0 -1.8 40.0 45.1 9 33 A F H - 0 0 0 -2,-0.3 4,-2.3 332,-0.2 5,-0.3 -0.870 18.9-172.2-113.7 99.3 4.0 51.3 42.3 30 54 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.948 89.0 51.3 -51.9 -54.5 1.8 48.8 44.2 31 55 A V H > S+ 0 0 2 328,-1.2 4,-2.7 329,-0.3 5,-0.3 0.909 110.5 51.0 -48.6 -48.6 3.4 49.8 47.6 32 56 A S H > S+ 0 0 1 328,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.949 113.0 41.7 -55.2 -58.5 2.7 53.5 46.8 33 57 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.873 116.7 51.6 -58.3 -40.6 -1.0 53.1 45.9 34 58 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.947 109.6 44.0 -64.5 -55.0 -1.6 50.7 48.8 35 59 A T H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.824 110.7 58.1 -63.5 -30.1 -0.1 52.7 51.7 36 60 A A H X S+ 0 0 7 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.897 116.3 32.7 -66.3 -41.5 -1.8 55.8 50.4 37 61 A F H X S+ 0 0 6 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.859 115.0 56.9 -82.3 -39.5 -5.3 54.2 50.6 38 62 A A H < S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.857 110.5 48.6 -58.2 -33.8 -4.5 52.1 53.6 39 63 A M H >< S+ 0 0 0 -4,-1.6 3,-0.9 -5,-0.3 4,-0.4 0.881 107.7 52.7 -73.5 -41.6 -3.6 55.4 55.3 40 64 A L H >< S+ 0 0 8 -4,-1.2 3,-2.9 1,-0.2 -2,-0.2 0.930 96.5 67.2 -59.8 -47.5 -6.8 57.1 54.2 41 65 A S G >< S+ 0 0 1 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.738 83.2 76.7 -44.8 -30.6 -9.0 54.3 55.7 42 66 A L G < S+ 0 0 36 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.859 103.6 36.5 -50.8 -38.1 -7.8 55.4 59.1 43 67 A G G < S+ 0 0 0 -3,-2.9 253,-1.0 -4,-0.4 254,-0.9 0.117 105.8 90.7-104.2 21.1 -10.2 58.3 58.8 44 68 A T < - 0 0 7 -3,-2.5 2,-0.3 252,-0.2 250,-0.2 -0.810 55.2-168.0-114.3 155.5 -12.9 56.4 57.0 45 69 A K > + 0 0 113 248,-1.4 4,-1.4 -2,-0.3 248,-0.3 -0.824 43.3 5.1-137.1 175.6 -15.8 54.5 58.5 46 70 A A H > S- 0 0 68 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.146 122.3 -19.3 51.9-139.0 -18.6 52.0 57.8 47 71 A D H > S+ 0 0 107 1,-0.2 4,-3.9 2,-0.2 5,-0.4 0.945 133.7 63.8 -64.8 -51.1 -18.5 50.5 54.3 48 72 A T H > S+ 0 0 2 -3,-0.3 4,-1.0 243,-0.2 239,-0.3 0.844 109.4 46.2 -42.1 -35.9 -16.4 53.2 52.7 49 73 A H H >X S+ 0 0 14 -4,-1.4 4,-1.7 -3,-0.3 3,-1.2 0.997 115.8 38.4 -70.1 -70.1 -13.8 51.9 55.2 50 74 A D H 3X S+ 0 0 54 -4,-1.8 4,-3.3 1,-0.3 5,-0.3 0.864 111.5 62.8 -49.4 -41.0 -14.0 48.1 54.7 51 75 A E H 3X S+ 0 0 36 -4,-3.9 4,-1.6 2,-0.2 -1,-0.3 0.871 107.4 43.1 -54.1 -41.5 -14.5 48.7 51.0 52 76 A I H XX S+ 0 0 0 -3,-1.2 4,-1.3 -4,-1.0 3,-0.6 0.997 115.6 44.7 -67.3 -68.1 -11.0 50.3 50.8 53 77 A L H 3<>S+ 0 0 0 -4,-1.7 5,-0.5 1,-0.3 3,-0.5 0.845 115.6 49.7 -43.8 -44.7 -9.2 47.7 53.0 54 78 A E H >X5S+ 0 0 102 -4,-3.3 3,-1.6 -5,-0.3 4,-0.6 0.881 104.6 56.8 -66.3 -39.7 -10.9 44.9 51.2 55 79 A G H <<5S+ 0 0 6 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.741 97.5 63.9 -63.4 -22.9 -10.1 46.3 47.8 56 80 A L T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.5 -47,-0.2 0.183 129.6 -98.2 -85.5 17.7 -6.4 46.2 48.8 57 81 A N T <45S+ 0 0 53 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.935 78.7 139.7 65.1 52.3 -6.8 42.4 49.0 58 82 A F << - 0 0 6 -4,-0.6 2,-0.9 -5,-0.5 -1,-0.2 -0.966 48.2-143.4-124.5 139.3 -7.4 42.1 52.8 59 83 A N > - 0 0 77 -2,-0.4 4,-1.7 1,-0.2 -5,-0.0 -0.857 9.8-159.7-104.0 96.5 -9.9 39.8 54.4 60 84 A L T 4 S+ 0 0 34 -2,-0.9 2,-0.7 2,-0.2 -1,-0.2 0.844 85.7 64.7 -43.4 -40.8 -11.1 41.9 57.4 61 85 A T T 4 S+ 0 0 111 1,-0.1 2,-0.3 -3,-0.1 -1,-0.0 -0.819 111.4 25.2 -87.5 117.6 -12.3 38.6 58.9 62 86 A E T 4 S+ 0 0 164 -2,-0.7 -2,-0.2 -4,-0.0 -1,-0.1 -0.704 125.7 42.9 129.9 -73.1 -9.0 36.8 59.5 63 87 A I S < S- 0 0 25 -4,-1.7 5,-0.1 -2,-0.3 2,-0.0 -0.909 86.5-137.1-107.6 108.7 -6.5 39.7 59.7 64 88 A P >> - 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-1.4 -0.336 15.9-122.8 -65.6 144.7 -7.9 42.5 61.9 65 89 A E H 3> S+ 0 0 86 1,-0.3 4,-2.7 2,-0.2 5,-0.5 0.861 111.9 66.7 -54.1 -38.3 -7.4 46.1 60.6 66 90 A A H 3> S+ 0 0 68 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.858 109.8 37.2 -51.6 -35.9 -5.6 46.9 63.9 67 91 A A H <> S+ 0 0 13 -3,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.666 110.2 62.1 -90.5 -19.7 -2.9 44.5 62.6 68 92 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 3,-0.4 0.968 111.1 38.0 -67.9 -53.1 -3.2 45.6 59.0 69 93 A H H X S+ 0 0 13 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.867 112.6 58.6 -63.4 -39.2 -2.1 49.1 59.8 70 94 A E H X S+ 0 0 115 -4,-0.9 4,-0.9 -5,-0.5 -1,-0.2 0.834 108.3 48.0 -59.7 -32.0 0.4 47.7 62.3 71 95 A G H X S+ 0 0 14 -4,-1.2 4,-2.6 -3,-0.4 3,-0.4 0.905 105.5 53.6 -76.0 -45.4 1.9 45.9 59.4 72 96 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.804 105.1 60.8 -58.1 -28.6 2.1 48.8 57.0 73 97 A Q H X S+ 0 0 32 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.899 109.7 37.5 -65.6 -44.5 3.9 50.5 59.8 74 98 A E H X S+ 0 0 92 -4,-0.9 4,-2.2 -3,-0.4 -2,-0.2 0.819 113.6 56.0 -78.6 -33.4 6.7 47.9 59.8 75 99 A L H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.900 112.9 43.2 -64.3 -40.2 6.8 47.5 56.0 76 100 A L H X S+ 0 0 2 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.936 111.4 52.2 -70.8 -47.4 7.3 51.2 55.7 77 101 A R H < S+ 0 0 99 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.881 115.2 44.8 -55.6 -37.8 9.9 51.4 58.5 78 102 A T H >< S+ 0 0 46 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.897 104.3 57.6 -74.6 -45.0 11.8 48.6 56.7 79 103 A L H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.690 103.3 62.3 -60.2 -15.1 11.6 49.9 53.2 80 104 A N T 3< S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.159 86.9 70.3 -98.7 18.1 13.4 52.9 54.6 81 105 A Q S < S- 0 0 136 -3,-1.9 -1,-0.2 6,-0.0 8,-0.1 -0.534 74.4-169.4-131.4 65.0 16.6 51.3 55.8 82 106 A P - 0 0 41 0, 0.0 2,-1.5 0, 0.0 5,-0.1 0.011 38.5-102.8 -52.7 159.1 18.3 50.5 52.5 83 107 A D - 0 0 78 1,-0.2 2,-5.0 138,-0.1 4,-0.1 -0.184 53.5-112.7 -80.0 44.4 21.4 48.3 52.2 84 108 A S S S+ 0 0 111 -2,-1.5 -1,-0.2 1,-0.3 138,-0.1 -0.071 117.2 64.0 55.3 -47.9 23.5 51.5 51.8 85 109 A Q S S+ 0 0 106 -2,-5.0 2,-0.4 135,-0.1 84,-0.4 0.579 100.2 66.3 -77.9 -9.1 24.3 50.5 48.2 86 110 A L S S- 0 0 3 82,-0.1 2,-0.6 134,-0.1 -2,-0.2 -0.928 73.0-148.8-117.1 137.5 20.6 50.8 47.5 87 111 A Q E +G 167 0B 84 80,-2.4 80,-2.7 -2,-0.4 2,-0.3 -0.928 30.8 154.7-106.6 117.7 18.6 54.0 47.6 88 112 A L E +G 166 0B 1 -2,-0.6 2,-0.3 78,-0.2 78,-0.2 -0.947 8.5 163.4-146.2 121.7 15.0 53.4 48.7 89 113 A T E -G 165 0B 49 76,-2.4 76,-3.3 -2,-0.3 2,-0.3 -0.971 14.0-173.4-139.5 152.3 12.7 56.0 50.3 90 114 A T E -G 164 0B 18 -2,-0.3 2,-0.4 74,-0.3 74,-0.2 -0.951 6.9-174.2-149.0 126.5 9.0 56.5 50.9 91 115 A G E -G 163 0B 9 72,-1.8 72,-2.5 -2,-0.3 2,-0.5 -0.957 11.0-160.0-127.1 142.3 7.2 59.6 52.3 92 116 A N E -G 162 0B 4 23,-0.5 25,-2.8 -2,-0.4 2,-0.4 -0.976 15.0-175.2-119.3 122.3 3.6 60.3 53.3 93 117 A G E -Gh 161 117B 0 68,-2.0 68,-1.2 -2,-0.5 2,-0.5 -0.917 13.8-157.9-119.6 145.0 2.4 63.8 53.6 94 118 A L E -Gh 160 118B 0 23,-2.5 25,-2.6 -2,-0.4 2,-0.6 -0.947 8.3-163.9-122.6 108.0 -0.9 65.2 54.8 95 119 A F E -Gh 159 119B 5 64,-2.8 64,-2.5 -2,-0.5 2,-0.3 -0.848 10.4-167.9 -96.8 119.6 -1.7 68.7 53.6 96 120 A L E -Gh 158 120B 17 23,-3.3 25,-1.3 -2,-0.6 62,-0.2 -0.824 25.0-112.4-107.5 143.8 -4.6 70.3 55.5 97 121 A S E - h 0 121B 21 60,-2.1 3,-0.3 -2,-0.3 25,-0.2 -0.524 31.0-118.0 -73.4 140.7 -6.5 73.5 54.7 98 122 A E S S+ 0 0 119 23,-1.5 2,-1.8 1,-0.3 -1,-0.1 0.909 109.9 53.5 -43.1 -56.9 -5.8 76.3 57.1 99 123 A G S S+ 0 0 78 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 -0.485 85.6 117.2 -84.7 72.2 -9.4 76.5 58.2 100 124 A L - 0 0 36 -2,-1.8 2,-0.9 -3,-0.3 -4,-0.0 -0.998 53.7-149.3-141.4 135.5 -9.9 72.9 59.2 101 125 A K - 0 0 49 -2,-0.4 198,-0.5 2,-0.0 199,-0.4 -0.813 28.3-165.6-103.8 91.3 -10.8 71.2 62.4 102 126 A L B -L 298 0C 42 -2,-0.9 2,-0.6 196,-0.1 197,-0.2 0.124 27.1-106.4 -62.7-174.3 -9.1 67.7 62.2 103 127 A V >> - 0 0 35 194,-0.7 3,-2.7 193,-0.2 4,-0.7 -0.876 26.7-139.6-121.8 93.0 -9.9 64.8 64.5 104 128 A D H 3> S+ 0 0 129 -2,-0.6 4,-2.2 1,-0.3 3,-0.4 0.673 99.3 56.9 -16.8 -60.8 -6.9 64.5 66.8 105 129 A K H 3> S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.898 103.5 54.6 -46.9 -47.6 -6.9 60.7 66.6 106 130 A F H <> S+ 0 0 2 -3,-2.7 4,-2.2 190,-0.3 5,-0.3 0.915 109.5 46.2 -54.4 -47.1 -6.6 60.8 62.8 107 131 A L H X S+ 0 0 45 -4,-0.7 4,-1.5 -3,-0.4 -1,-0.2 0.854 112.3 50.4 -65.3 -36.3 -3.5 63.0 63.0 108 132 A E H X S+ 0 0 117 -4,-2.2 4,-1.2 3,-0.2 -1,-0.2 0.816 113.2 48.2 -70.4 -32.2 -1.8 60.8 65.7 109 133 A D H X>S+ 0 0 16 -4,-2.2 4,-3.2 -5,-0.3 5,-0.9 0.989 112.2 42.0 -72.5 -64.6 -2.5 57.7 63.6 110 134 A V H X5S+ 0 0 0 -4,-2.2 6,-2.3 1,-0.3 4,-0.9 0.890 119.1 48.9 -50.9 -40.1 -1.3 58.6 60.2 111 135 A K H <5S+ 0 0 106 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.856 123.0 32.8 -68.6 -34.6 1.7 60.3 61.9 112 136 A K H <5S+ 0 0 114 -4,-1.2 3,-0.3 -3,-0.4 -2,-0.2 0.943 127.8 31.8 -88.0 -56.8 2.3 57.1 64.0 113 137 A L H <5S+ 0 0 21 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.1 0.833 133.7 31.0 -72.3 -32.9 1.3 54.1 61.9 114 138 A Y S < - 0 0 67 -25,-0.2 3,-2.2 -2,-0.2 7,-0.4 -0.874 17.3-168.2-112.5 98.4 -4.3 77.4 51.9 123 147 A F T 3 S+ 0 0 6 -2,-0.7 3,-0.3 1,-0.3 33,-0.2 0.563 82.1 78.1 -61.8 -6.8 -6.1 75.7 49.1 124 148 A G T 3 S+ 0 0 64 1,-0.3 2,-1.3 2,-0.1 -1,-0.3 0.867 91.0 54.1 -68.6 -34.7 -7.7 79.1 48.4 125 149 A D S X> S+ 0 0 88 -3,-2.2 4,-2.8 1,-0.2 3,-0.7 -0.683 76.9 179.0 -97.1 74.5 -4.4 80.0 46.7 126 150 A T H 3> S+ 0 0 25 -2,-1.3 4,-1.1 -3,-0.3 -1,-0.2 0.687 76.8 55.1 -54.1 -19.5 -4.5 77.0 44.4 127 151 A E H 3> S+ 0 0 126 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.898 112.1 39.9 -81.9 -40.8 -1.3 78.0 42.8 128 152 A E H <> S+ 0 0 98 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.882 116.0 50.6 -73.1 -40.8 0.7 78.2 46.1 129 153 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -7,-0.4 5,-0.2 0.902 111.5 49.0 -63.1 -40.5 -0.9 75.0 47.5 130 154 A K H X S+ 0 0 22 -4,-1.1 4,-2.8 -5,-0.3 5,-0.3 0.906 109.9 53.0 -64.2 -42.3 -0.1 73.3 44.2 131 155 A K H X S+ 0 0 34 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.885 108.2 49.7 -60.9 -43.2 3.5 74.6 44.6 132 156 A Q H X S+ 0 0 84 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.939 116.0 41.0 -62.7 -49.4 3.9 73.2 48.1 133 157 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.965 114.1 50.2 -64.7 -55.0 2.7 69.7 47.2 134 158 A N H X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.851 112.2 51.0 -52.6 -36.1 4.5 69.4 43.9 135 159 A D H X S+ 0 0 88 -4,-1.7 4,-3.0 -5,-0.3 -1,-0.2 0.922 106.8 52.3 -67.6 -46.0 7.6 70.5 45.7 136 160 A Y H X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.939 115.3 41.7 -54.8 -49.8 7.2 67.9 48.4 137 161 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 8,-0.3 0.866 113.3 52.5 -66.6 -40.1 6.9 65.2 45.8 138 162 A E H <>S+ 0 0 75 -4,-2.4 5,-2.7 -5,-0.3 6,-0.3 0.924 111.7 46.7 -64.2 -42.9 9.6 66.5 43.6 139 163 A K H ><5S+ 0 0 171 -4,-3.0 3,-1.8 3,-0.2 -2,-0.2 0.968 114.2 46.6 -61.9 -53.9 12.0 66.6 46.5 140 164 A G H 3<5S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 115.5 44.6 -56.9 -41.1 11.2 63.1 47.7 141 165 A T T ><5S- 0 0 0 -4,-2.5 3,-3.2 4,-0.2 -1,-0.3 0.043 111.1-123.8 -92.5 24.7 11.4 61.6 44.2 142 166 A Q T < 5S- 0 0 108 -3,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.731 72.5 -45.8 36.6 42.0 14.6 63.5 43.6 143 167 A G T 3 - 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