==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR 08-SEP-88 7API . COMPND 2 MOLECULE: ALPHA 1-ANTITRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.LOEBERMANN,R.TOKUOKA,J.DEISENHOFER,R.HUBER . 376 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 73.7 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 . 101 26.9 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 0 0 1 2 0 1 1 0 1 0 0 2 0 0 0 0 0 0 1 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 . 1 0 1 0 1 2 1 3 0 1 0 1 1 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 20 A H 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.2 62.4 9.0 55.1 2 21 A P - 0 0 50 0, 0.0 4,-0.2 0, 0.0 74,-0.1 -0.029 360.0-143.7 -77.0 160.8 65.1 11.4 56.5 3 22 A T S > S+ 0 0 15 2,-0.2 4,-0.7 1,-0.1 73,-0.1 0.696 87.4 67.2 -81.9 -39.3 67.6 11.1 59.1 4 23 A F H >> S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 3,-0.8 0.797 98.1 51.3 -58.6 -53.3 67.7 14.6 60.7 5 24 A N H 34 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.768 100.4 65.3 -69.5 -13.8 64.3 14.4 62.2 6 25 A K H 34 S+ 0 0 119 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.851 119.3 23.5 -72.5 -24.3 65.3 11.2 63.7 7 26 A I H XX S+ 0 0 1 -3,-0.8 4,-2.2 -4,-0.7 3,-1.5 0.592 98.9 90.6-107.7 -23.9 67.9 13.2 65.8 8 27 A T H 3X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.3 3,-0.5 0.932 90.5 50.1 -45.5 -51.4 66.3 16.7 65.7 9 28 A P H 3> S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.716 106.1 53.2 -44.4 -48.6 64.5 15.9 68.9 10 29 A N H <> S+ 0 0 33 -3,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.931 112.2 46.0 -72.7 -30.5 67.5 14.6 70.6 11 30 A L H X S+ 0 0 7 -4,-2.2 4,-3.2 -3,-0.5 3,-0.2 0.952 110.2 54.5 -62.0 -61.7 69.3 17.8 69.8 12 31 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 5,-0.2 0.888 111.7 42.8 -39.5 -53.4 66.4 19.9 70.8 13 32 A E H X S+ 0 0 54 -4,-2.4 4,-1.7 1,-0.3 -1,-0.3 0.860 111.6 53.7 -68.4 -38.3 66.1 18.3 74.2 14 33 A F H X S+ 0 0 2 -4,-1.8 4,-3.0 47,-0.3 3,-0.3 0.931 108.1 52.0 -57.5 -51.4 69.8 18.4 74.8 15 34 A A H X S+ 0 0 3 -4,-3.2 4,-2.7 1,-0.3 -1,-0.2 0.858 111.7 44.3 -54.6 -46.8 69.8 22.1 74.1 16 35 A F H X S+ 0 0 13 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.777 113.4 52.4 -65.3 -35.9 67.1 22.9 76.4 17 36 A S H X S+ 0 0 31 -4,-1.7 4,-1.0 -3,-0.3 -2,-0.2 0.895 110.4 47.4 -71.0 -32.2 68.7 20.7 78.9 18 37 A L H >X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 3,-0.6 0.904 108.4 55.0 -69.6 -47.4 71.9 22.5 78.5 19 38 A Y H 3X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.910 99.8 59.7 -52.8 -49.5 70.3 25.8 78.7 20 39 A R H 3X S+ 0 0 66 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.805 105.2 51.4 -57.7 -28.9 68.8 25.0 82.1 21 40 A Q H - 0 0 0 -2,-0.3 4,-2.5 332,-0.2 5,-0.3 -0.895 17.6-171.0-130.5 96.8 74.7 27.3 69.3 35 54 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.854 88.7 52.2 -55.8 -33.6 73.4 24.1 70.4 36 55 A V H > S+ 0 0 1 329,-0.8 4,-3.2 328,-0.7 5,-0.3 0.889 107.3 49.5 -65.1 -51.5 74.3 22.7 67.0 37 56 A S H > S+ 0 0 0 328,-0.4 4,-1.2 1,-0.3 -1,-0.2 0.979 114.4 44.7 -59.4 -49.9 77.9 23.9 67.1 38 57 A I H X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -1,-0.3 0.789 116.2 49.2 -56.3 -38.3 78.5 22.4 70.5 39 58 A A H X S+ 0 0 2 -4,-1.4 4,-0.9 -5,-0.3 -1,-0.2 0.924 104.3 50.2 -83.9 -37.7 76.8 19.3 69.7 40 59 A T H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.793 107.3 58.5 -68.2 -23.1 78.3 18.2 66.4 41 60 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.3 -2,-0.2 0.992 106.6 45.7 -71.2 -54.8 81.8 18.6 67.8 42 61 A F H X S+ 0 0 2 -4,-1.3 4,-1.4 1,-0.2 -1,-0.3 0.688 111.4 56.0 -57.2 -18.5 81.3 16.3 70.6 43 62 A A H >X S+ 0 0 1 -4,-0.9 4,-0.9 2,-0.2 3,-0.6 0.963 108.6 42.1 -86.5 -44.7 79.7 13.9 68.2 44 63 A M H 3< S+ 0 0 1 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.768 111.3 60.6 -77.1 1.0 82.5 13.7 65.8 45 64 A L H >< S+ 0 0 2 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.3 0.934 94.2 61.1 -78.1 -40.3 84.6 13.6 68.8 46 65 A S H X< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.6 -1,-0.2 0.708 82.7 85.6 -63.7 -15.9 82.9 10.4 70.0 47 66 A L T 3< S+ 0 0 25 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.486 94.0 40.9 -51.4 -20.7 84.1 8.7 66.8 48 67 A G T < S+ 0 0 1 -3,-1.5 253,-2.0 250,-0.1 254,-0.6 0.007 97.5 102.1-125.9 21.6 87.4 7.9 68.4 49 68 A T < - 0 0 12 -3,-2.1 2,-0.3 252,-0.2 250,-0.2 -0.839 49.9-162.2-114.1 149.7 86.1 6.9 71.8 50 69 A K >> - 0 0 143 248,-0.9 4,-1.4 -2,-0.3 3,-0.7 -0.807 47.0 -21.8-126.1 161.6 85.6 3.5 73.2 51 70 A A H 3> S+ 0 0 56 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.061 118.9 2.8 40.3-137.0 83.5 2.2 76.3 52 71 A D H 3> S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 132.3 52.5 -49.6 -37.8 82.3 4.2 79.2 53 72 A T H <> S+ 0 0 4 -3,-0.7 4,-0.9 1,-0.2 239,-0.3 0.918 110.5 43.9 -75.2 -34.8 83.7 7.4 77.8 54 73 A H H X S+ 0 0 12 -4,-1.4 4,-1.6 2,-0.2 5,-0.3 0.782 113.0 55.2 -69.3 -35.1 82.1 7.2 74.3 55 74 A D H X S+ 0 0 66 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.988 102.7 52.4 -72.7 -44.9 78.9 6.2 75.9 56 75 A E H X S+ 0 0 50 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.667 109.7 52.9 -64.2 -19.0 78.6 9.2 78.3 57 76 A I H X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.991 112.9 38.1 -73.2 -66.9 79.1 11.5 75.3 58 77 A L H <>S+ 0 0 3 -4,-1.6 5,-1.1 1,-0.2 -2,-0.2 0.876 123.4 45.4 -48.3 -42.9 76.4 10.1 73.0 59 78 A E H >X5S+ 0 0 103 -4,-2.7 3,-1.8 -5,-0.3 4,-0.8 0.972 106.1 56.0 -71.7 -53.0 74.1 9.6 75.9 60 79 A G H 3<5S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.775 99.2 64.6 -51.6 -26.3 74.8 13.0 77.6 61 80 A L T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 2,-0.1 -47,-0.3 0.119 128.4-101.0 -78.6 18.6 73.7 14.5 74.3 62 81 A N T <45S+ 0 0 64 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.850 77.1 142.0 57.5 47.2 70.2 13.0 75.0 63 82 A F << - 0 0 6 -5,-1.1 2,-0.7 -4,-0.8 -1,-0.2 -0.960 43.2-147.4-113.4 133.9 70.6 9.9 72.7 64 83 A N > - 0 0 84 -2,-0.4 4,-2.6 1,-0.1 -5,-0.0 -0.932 8.3-160.1-107.9 101.0 69.2 6.6 74.0 65 84 A L T 4 S+ 0 0 48 -2,-0.7 5,-0.2 1,-0.2 -1,-0.1 0.678 84.2 54.2 -60.9 -31.4 71.5 3.9 72.6 66 85 A T T 4 S+ 0 0 122 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.950 114.0 43.0 -63.4 -52.6 69.1 0.9 72.9 67 86 A E T 4 S+ 0 0 155 1,-0.2 -2,-0.2 2,-0.0 -1,-0.1 0.960 124.2 31.1 -65.7 -50.2 66.5 2.7 71.0 68 87 A I S < S- 0 0 19 -4,-2.6 -1,-0.2 2,-0.0 2,-0.1 -0.921 84.5-125.4-118.4 123.2 68.7 4.1 68.3 69 88 A P >> - 0 0 67 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.326 19.4-120.8 -57.0 147.7 71.9 2.4 67.1 70 89 A E H >> S+ 0 0 91 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.858 107.9 54.7 -51.1 -59.8 75.2 4.3 67.0 71 90 A A H 3> S+ 0 0 78 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.741 105.8 55.5 -59.9 -22.9 76.0 4.1 63.3 72 91 A Q H <> S+ 0 0 61 -3,-0.6 4,-2.0 2,-0.2 -1,-0.3 0.768 96.5 65.2 -77.6 -32.5 72.6 5.7 62.6 73 92 A I H XX S+ 0 0 3 -3,-1.3 4,-2.4 -4,-0.9 3,-0.5 0.982 108.0 38.4 -56.6 -50.7 73.4 8.6 64.8 74 93 A H H 3X S+ 0 0 6 -4,-1.1 4,-3.2 1,-0.3 -1,-0.2 0.729 109.4 60.1 -69.6 -29.6 76.2 9.8 62.6 75 94 A E H 3X S+ 0 0 94 -4,-0.8 4,-1.5 -5,-0.2 -1,-0.3 0.893 109.8 48.0 -64.2 -32.4 74.3 8.8 59.5 76 95 A G H X S+ 0 0 62 -4,-1.5 4,-2.4 -3,-0.4 3,-0.5 0.936 108.2 54.2 -65.0 -57.9 72.6 14.4 56.7 80 99 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.888 110.7 49.0 -42.0 -47.3 71.8 17.4 58.9 81 100 A L H 3X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.848 110.8 48.4 -66.1 -38.2 75.1 19.0 58.0 82 101 A R H << S+ 0 0 139 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.914 112.2 50.3 -60.7 -49.9 74.7 18.5 54.3 83 102 A T H >< S+ 0 0 10 -4,-2.4 3,-0.9 2,-0.2 -2,-0.2 0.820 110.8 47.9 -64.7 -36.9 71.3 19.9 54.4 84 103 A L H 3< S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.977 104.7 59.9 -69.3 -48.9 72.4 23.0 56.3 85 104 A N T 3< S+ 0 0 77 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.370 82.4 113.7 -74.5 22.8 75.3 23.6 54.0 86 105 A Q S < S- 0 0 113 -3,-0.9 2,-1.3 1,-0.1 7,-0.3 -0.439 77.3-103.2 -80.6 155.3 72.9 23.9 51.1 87 106 A P - 0 0 122 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.628 28.9-167.5 -86.4 99.4 72.6 27.3 49.4 88 107 A D - 0 0 38 -2,-1.3 5,-0.1 3,-0.3 139,-0.0 -0.470 20.3-140.8 -76.1 131.6 69.5 29.1 50.4 89 108 A S S S+ 0 0 109 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.641 96.2 27.3 -75.2 -27.7 69.4 31.9 47.8 90 109 A Q S S+ 0 0 116 1,-0.2 2,-0.4 136,-0.0 137,-0.1 0.721 119.6 57.3-109.1 -27.5 68.2 34.5 50.2 91 110 A L - 0 0 6 82,-0.1 2,-0.6 134,-0.1 -3,-0.3 -0.794 69.2-146.9-106.3 139.8 69.6 33.2 53.4 92 111 A Q E +G 172 0B 95 80,-2.5 80,-3.2 -2,-0.4 2,-0.3 -0.927 26.8 159.3-115.1 124.8 73.2 32.4 54.1 93 112 A L E +G 171 0B 19 -2,-0.6 2,-0.3 -7,-0.3 -5,-0.2 -0.962 6.0 162.7-146.3 124.2 74.1 29.5 56.5 94 113 A T E -G 170 0B 59 76,-1.6 76,-2.8 -2,-0.3 2,-0.3 -0.951 11.9-175.7-136.9 151.1 77.4 27.6 56.8 95 114 A T E -G 169 0B 8 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.972 7.1-166.6-143.5 159.6 79.3 25.2 59.2 96 115 A G E -G 168 0B 10 72,-2.1 72,-1.8 -2,-0.3 2,-0.5 -0.993 12.1-151.3-148.9 141.8 82.7 23.6 59.2 97 116 A N E -G 167 0B 8 -2,-0.3 25,-1.6 22,-0.3 2,-0.4 -0.881 20.5-175.4-110.7 129.0 84.6 20.9 61.0 98 117 A G E -Gh 166 122B 0 68,-3.3 68,-2.8 -2,-0.5 2,-0.5 -0.979 14.7-162.8-125.3 137.5 88.3 21.1 61.4 99 118 A L E -Gh 165 123B 4 23,-2.8 25,-2.3 -2,-0.4 2,-0.5 -0.933 5.6-169.9-111.8 135.2 91.0 18.8 62.8 100 119 A F E +Gh 164 124B 4 64,-2.6 64,-2.6 -2,-0.5 2,-0.4 -0.997 14.6 179.6-122.8 117.1 94.4 20.2 63.6 101 120 A L E -Gh 163 125B 16 23,-2.9 25,-2.4 -2,-0.5 62,-0.2 -0.995 29.6-109.9-120.0 139.1 96.9 17.5 64.4 102 121 A S E - h 0 126B 29 60,-1.7 3,-0.4 -2,-0.4 25,-0.2 -0.169 31.3-117.0 -58.2 145.3 100.6 17.6 65.4 103 122 A E S S+ 0 0 132 23,-1.1 -1,-0.1 1,-0.2 24,-0.1 0.761 110.3 55.3 -54.7 -42.8 103.1 16.4 62.8 104 123 A G S S+ 0 0 64 2,-0.0 -1,-0.2 58,-0.0 23,-0.0 0.897 84.8 102.7 -65.0 -41.4 104.4 13.4 65.0 105 124 A L - 0 0 26 -3,-0.4 2,-0.5 57,-0.2 -4,-0.0 -0.231 52.9-161.2 -48.0 129.0 100.8 11.7 65.6 106 125 A K - 0 0 120 0, 0.0 198,-0.4 0, 0.0 199,-0.4 -0.914 20.4-154.7-108.0 125.0 99.9 8.6 63.6 107 126 A L - 0 0 31 -2,-0.5 2,-0.9 196,-0.1 196,-0.2 -0.736 28.9 -92.9-102.1 168.2 96.2 8.1 63.6 108 127 A V > - 0 0 42 194,-1.8 4,-1.9 -2,-0.3 3,-0.2 -0.546 38.6-148.9 -68.7 95.0 93.8 5.4 63.3 109 128 A D H > S+ 0 0 119 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.814 94.2 59.9 -44.1 -35.4 93.3 5.8 59.5 110 129 A K H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.960 103.3 48.8 -52.9 -65.1 89.7 4.6 60.0 111 130 A F H > S+ 0 0 10 190,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.764 109.9 55.8 -46.2 -40.2 88.8 7.4 62.4 112 131 A L H X S+ 0 0 27 -4,-1.9 4,-1.0 2,-0.2 -1,-0.3 0.960 110.1 39.8 -64.1 -51.8 90.3 9.8 59.9 113 132 A E H X S+ 0 0 110 -4,-2.3 4,-0.7 -3,-0.5 5,-0.3 0.733 110.8 64.3 -71.1 -19.0 88.2 8.8 56.9 114 133 A D H >X>S+ 0 0 29 -4,-2.2 4,-2.4 -5,-0.2 3,-0.9 0.957 108.1 36.5 -63.8 -48.8 85.4 8.5 59.3 115 134 A V H 3<5S+ 0 0 5 -4,-2.1 6,-2.8 1,-0.3 -1,-0.2 0.619 114.5 59.5 -78.6 -13.0 85.4 12.2 60.1 116 135 A K H 3<5S+ 0 0 118 -4,-1.0 -1,-0.3 4,-0.2 -2,-0.2 0.623 118.1 26.8 -82.5 -22.4 86.3 13.0 56.6 117 136 A K H <<5S+ 0 0 129 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.2 0.774 125.2 40.4-111.8 -47.2 83.2 11.3 55.2 118 137 A L T <5S+ 0 0 23 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.795 132.7 22.5 -79.3 -39.4 80.5 11.5 57.9 119 138 A Y S - 0 0 83 -2,-0.3 3,-1.8 -25,-0.2 7,-0.1 -0.850 15.9-166.1-106.9 107.9 103.4 21.9 64.9 128 147 A F T 3 S+ 0 0 11 -2,-0.8 33,-0.3 1,-0.3 3,-0.2 0.263 79.7 80.6 -79.5 21.8 102.2 22.4 68.5 129 148 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 31,-0.1 -1,-0.3 0.548 84.5 59.6-105.5 -6.6 105.8 23.5 69.4 130 149 A D S <> S+ 0 0 68 -3,-1.8 4,-2.5 1,-0.2 3,-0.3 -0.759 72.0 174.9-113.0 72.7 105.1 26.9 68.0 131 150 A T H > S+ 0 0 37 -2,-0.6 4,-2.9 1,-0.2 3,-0.4 0.947 75.5 47.2 -49.4 -48.2 102.2 27.6 70.4 132 151 A E H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.829 116.8 44.0 -63.7 -33.7 101.7 31.3 69.3 133 152 A E H > S+ 0 0 76 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.764 114.8 47.9 -84.2 -23.3 101.8 30.3 65.6 134 153 A A H >X S+ 0 0 5 -4,-2.5 4,-2.2 -3,-0.4 3,-0.7 0.972 109.7 54.1 -74.2 -46.2 99.6 27.3 66.0 135 154 A K H 3X S+ 0 0 69 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.857 110.8 46.6 -50.2 -46.5 97.2 29.5 68.0 136 155 A K H 3X S+ 0 0 109 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.785 105.8 59.0 -60.9 -45.1 97.1 31.9 65.1 137 156 A Q H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 3,-1.4 0.878 108.8 59.0 -58.6 -51.9 93.5 28.1 64.2 139 158 A N H 3X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.860 103.9 53.6 -69.3 -14.4 92.1 31.5 65.0 140 159 A D H 3X S+ 0 0 68 -4,-2.0 4,-3.1 -3,-0.3 -1,-0.3 0.754 101.8 56.8 -77.7 -34.4 92.2 32.4 61.4 141 160 A Y H S+ 0 0 83 -4,-2.2 5,-3.0 -5,-0.3 6,-0.3 0.985 112.8 44.5 -65.9 -43.2 87.8 34.0 61.6 144 163 A K H ><5S+ 0 0 179 -4,-3.1 3,-1.2 3,-0.2 -2,-0.2 0.901 117.1 45.3 -60.9 -49.2 87.5 33.0 58.0 145 164 A G H 3<5S+ 0 0 12 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.943 115.9 42.4 -67.9 -52.7 84.6 30.7 58.6 146 165 A T T ><5S- 0 0 0 -4,-3.0 3,-2.4 4,-0.2 -1,-0.3 0.242 113.5-120.0 -80.2 21.1 82.5 33.0 60.8 147 166 A Q T < 5S- 0 0 124 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.912 70.8 -46.9 46.4 49.6 83.5 35.8 58.4 148 167 A G T 3 - 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