==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-JUL-12 4GD8 . COMPND 2 MOLECULE: BETA-LACTAMASE SHV-1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR P.PATTANAIK,F.VAN DEN AKKER . 265 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 1 0 1 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 0 0 1 2 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 26 A S 0 0 65 0, 0.0 2,-0.0 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 153.9 -11.9 -3.2 9.8 2 27 A P - 0 0 46 0, 0.0 259,-0.1 0, 0.0 260,-0.1 -0.263 360.0 -68.1 -72.6 171.9 -11.9 -3.7 13.6 3 28 A Q > - 0 0 94 1,-0.1 4,-2.5 258,-0.1 5,-0.2 -0.239 56.6-104.1 -53.8 152.5 -10.3 -1.2 16.1 4 29 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.890 120.8 46.9 -49.4 -52.3 -6.5 -1.2 15.8 5 30 A L H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.870 112.3 49.5 -61.7 -41.1 -5.9 -3.2 19.0 6 31 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.7 49.6 -64.3 -40.5 -8.6 -5.8 18.0 7 32 A Q H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.902 107.8 53.7 -65.0 -41.8 -7.0 -6.1 14.5 8 33 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.937 109.9 47.9 -57.3 -45.1 -3.5 -6.6 16.1 9 34 A K H X S+ 0 0 92 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 109.9 52.1 -62.0 -45.5 -4.9 -9.5 18.3 10 35 A L H X S+ 0 0 80 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.886 106.6 54.9 -58.8 -40.4 -6.5 -11.0 15.2 11 36 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.920 108.5 46.8 -60.0 -43.5 -3.1 -10.9 13.4 12 37 A E H X>S+ 0 0 32 -4,-2.0 4,-1.9 1,-0.2 5,-0.6 0.922 113.5 49.9 -61.1 -47.5 -1.4 -12.8 16.2 13 38 A S H <5S+ 0 0 93 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.910 115.6 41.7 -54.7 -46.0 -4.2 -15.4 16.2 14 39 A Q H <5S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.851 123.1 38.0 -75.4 -32.5 -4.0 -15.8 12.4 15 40 A L H <5S- 0 0 5 -4,-2.5 228,-0.4 -5,-0.2 -1,-0.2 0.611 93.4-136.2 -90.1 -16.2 -0.2 -15.8 12.2 16 41 A S T <5S+ 0 0 95 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.765 71.7 106.9 56.6 28.9 0.5 -17.8 15.4 17 42 A G S -A 232 0A 35 5,-2.4 4,-2.0 -2,-0.4 207,-0.3 -0.494 27.3-147.4 -66.0 128.3 2.2 11.4 17.2 26 51 A L T 4 S+ 0 0 21 205,-3.3 -1,-0.2 -2,-0.2 206,-0.1 0.911 91.2 48.9 -67.7 -43.4 5.4 12.5 15.4 27 52 A A T 4 S+ 0 0 77 204,-0.6 -1,-0.2 1,-0.1 205,-0.1 0.935 129.8 14.9 -62.5 -43.8 5.3 16.1 16.6 28 53 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.672 92.3-120.0-109.6 -19.7 4.7 15.5 20.4 29 54 A G < + 0 0 19 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.481 50.0 164.0 84.0 6.3 5.5 11.8 21.1 30 55 A R - 0 0 129 -6,-0.1 -5,-2.4 -5,-0.1 2,-0.6 -0.354 35.0-135.2 -55.0 124.7 2.0 11.1 22.4 31 56 A T E +B 24 0A 74 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.766 31.3 169.9 -84.9 123.3 1.5 7.3 22.4 32 57 A L E + 0 0 32 -9,-2.5 2,-0.4 -2,-0.6 -8,-0.2 0.815 68.0 16.6 -96.9 -47.0 -1.9 6.3 20.9 33 58 A T E +B 23 0A 10 -10,-1.3 -10,-2.2 -29,-0.0 -1,-0.4 -0.999 63.5 174.8-132.5 136.4 -1.6 2.5 20.5 34 59 A A E +B 22 0A 53 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.976 2.2 170.8-141.2 122.4 0.9 0.3 22.2 35 60 A W E S-B 21 0A 55 -14,-2.8 -14,-3.0 -2,-0.4 4,-0.1 -0.969 79.5 -19.0-137.7 123.5 0.9 -3.5 22.0 36 61 A R S > S+ 0 0 74 -2,-0.4 3,-1.4 -16,-0.2 123,-0.1 0.872 87.1 157.1 47.0 42.2 3.9 -5.5 23.3 37 62 A A T 3 + 0 0 11 1,-0.3 122,-2.6 121,-0.1 123,-0.5 0.674 65.9 46.3 -76.1 -11.4 5.7 -2.3 23.0 38 63 A D T 3 S+ 0 0 139 120,-0.2 -1,-0.3 119,-0.1 2,-0.3 0.264 92.5 101.1-110.1 10.7 8.4 -3.2 25.6 39 64 A E S < S- 0 0 63 -3,-1.4 2,-0.3 -4,-0.1 120,-0.1 -0.662 77.7-106.8 -95.8 152.5 9.0 -6.6 24.1 40 65 A R + 0 0 81 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.560 37.2 173.4 -82.7 138.9 12.0 -7.3 21.9 41 66 A F E -E 156 0B 0 115,-2.3 115,-2.5 -2,-0.3 2,-0.2 -0.986 40.6-100.8-136.2 143.9 11.8 -7.8 18.1 42 67 A P E -E 155 0B 6 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.482 26.2-149.5 -61.2 133.6 14.6 -8.2 15.5 43 68 A M > + 0 0 4 111,-2.1 3,-1.8 -2,-0.2 112,-0.1 0.816 28.2 174.1 -70.3 -36.0 15.0 -4.8 13.7 44 69 A M G > S- 0 0 0 110,-0.5 3,-1.8 100,-0.5 4,-0.2 -0.258 70.7 -11.7 53.8-132.3 16.2 -6.4 10.5 45 70 A S G > S+ 0 0 15 1,-0.3 3,-1.8 167,-0.2 -1,-0.3 0.635 122.5 81.8 -76.4 -10.3 16.5 -3.8 7.8 46 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.6 0.729 76.0 73.3 -60.9 -21.4 14.8 -1.2 9.9 47 72 A F H X> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.3 3,-0.5 0.733 78.9 76.1 -65.6 -24.3 18.1 -0.6 11.7 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.742 87.6 57.7 -63.1 -23.5 19.3 1.2 8.5 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.3 -1,-0.2 0.912 110.3 44.1 -69.5 -39.4 17.3 4.3 9.4 50 75 A V H S+ 0 0 69 -4,-1.8 5,-2.8 2,-0.2 6,-0.9 0.873 109.6 50.6 -68.1 -37.9 28.8 12.7 12.1 59 84 A V H ><5S+ 0 0 38 -4,-2.0 3,-1.4 4,-0.3 -2,-0.2 0.921 109.4 51.3 -63.0 -42.2 28.2 15.0 9.1 60 85 A D H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 109.4 51.1 -62.2 -36.5 26.7 17.7 11.5 61 86 A A T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.454 117.7-112.7 -79.4 -6.6 29.8 17.4 13.7 62 87 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.649 91.7 110.1 79.9 17.5 32.2 17.9 10.7 63 88 A D S - 0 0 115 -2,-0.3 3,-1.0 1,-0.1 29,-0.4 -0.997 16.9-142.7-126.9 141.7 30.6 14.5 4.4 66 91 A L T 3 S+ 0 0 25 -2,-0.4 29,-2.5 1,-0.2 30,-0.5 0.733 106.0 59.0 -69.4 -19.9 27.7 13.1 2.5 67 92 A E T 3 S+ 0 0 137 27,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.719 76.0 116.2 -76.4 -20.7 29.9 13.9 -0.6 68 93 A R < - 0 0 95 -3,-1.0 26,-1.7 25,-0.1 2,-0.4 -0.260 63.8-134.3 -64.5 128.0 32.8 11.8 0.5 69 94 A K E -F 93 0C 94 24,-0.2 2,-0.5 25,-0.1 24,-0.3 -0.638 15.6-157.7 -87.4 131.5 33.3 9.0 -2.1 70 95 A I E -F 92 0C 26 22,-3.6 22,-2.1 -2,-0.4 2,-0.4 -0.916 3.2-158.4-110.2 129.1 33.9 5.5 -0.7 71 96 A H + 0 0 117 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.848 18.1 170.9-108.3 140.2 35.7 2.9 -2.8 72 97 A Y - 0 0 10 -2,-0.4 2,-0.3 15,-0.3 19,-0.1 -0.879 24.7-117.3-144.9 171.0 35.3 -0.8 -2.1 73 98 A R > - 0 0 160 -2,-0.3 3,-2.6 1,-0.1 4,-0.4 -0.787 29.0-110.9-117.4 161.0 36.1 -4.2 -3.5 74 99 A Q G > S+ 0 0 143 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.832 117.2 62.7 -59.5 -33.6 34.0 -7.1 -4.8 75 100 A Q G 3 S+ 0 0 164 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.604 95.4 63.2 -64.6 -13.5 35.1 -9.2 -1.7 76 101 A D G < S+ 0 0 68 -3,-2.6 2,-0.3 2,-0.1 -1,-0.3 0.597 82.4 105.1 -84.3 -15.8 33.4 -6.5 0.5 77 102 A L < - 0 0 41 -3,-1.5 2,-0.2 -4,-0.4 3,-0.1 -0.514 49.9-171.1 -75.7 133.0 30.0 -7.4 -1.0 78 103 A V - 0 0 48 -2,-0.3 30,-0.3 1,-0.1 29,-0.1 -0.612 47.0 -50.5-107.7 175.4 27.5 -9.4 1.0 79 104 A D S S+ 0 0 121 -2,-0.2 28,-0.2 1,-0.1 -1,-0.1 -0.237 117.2 20.0 -51.5 126.1 24.2 -10.9 -0.1 80 105 A Y + 0 0 123 27,-0.1 27,-2.7 26,-0.1 28,-0.5 0.982 61.1 156.9 77.5 87.9 21.9 -8.4 -2.0 81 106 A S > + 0 0 6 25,-0.2 4,-2.6 26,-0.2 5,-0.2 -0.488 3.8 159.8-134.6 56.8 23.8 -5.4 -3.3 82 107 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.786 83.0 22.6 -63.2 -31.8 21.6 -4.1 -6.2 83 108 A V T >4 S+ 0 0 35 -3,-0.1 3,-1.8 2,-0.1 4,-0.2 0.847 122.9 52.1 -96.8 -50.0 23.2 -0.6 -6.2 84 109 A S G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.818 100.6 61.7 -63.6 -29.9 26.6 -1.2 -4.7 85 110 A E G 3< S+ 0 0 110 -4,-2.6 3,-0.5 1,-0.3 -1,-0.3 0.696 98.5 60.7 -70.5 -13.5 27.5 -4.0 -7.0 86 111 A K G < S+ 0 0 154 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.488 101.1 54.2 -87.8 -3.0 27.2 -1.5 -9.9 87 112 A H <> + 0 0 44 -3,-1.7 4,-2.0 -4,-0.2 -15,-0.3 -0.095 58.6 121.2-129.5 36.6 30.0 0.8 -8.5 88 113 A L T 4 S+ 0 0 57 -3,-0.5 -16,-0.2 1,-0.2 -1,-0.1 0.867 85.9 41.7 -61.0 -34.9 33.0 -1.4 -8.0 89 114 A A T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.910 128.4 23.4 -81.8 -39.6 34.9 0.9 -10.4 90 115 A D T 4 S- 0 0 76 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.540 94.0-140.2-111.3 -7.4 33.8 4.3 -9.4 91 116 A G < - 0 0 1 -4,-2.0 2,-0.3 -7,-0.1 -20,-0.2 -0.118 16.0 -96.0 76.0-179.3 32.6 4.0 -5.7 92 117 A M E -F 70 0C 1 -22,-2.1 -22,-3.6 -4,-0.1 2,-0.1 -0.986 27.3-116.3-138.7 144.5 29.6 5.6 -4.0 93 118 A T E > -F 69 0C 31 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.411 32.1-111.6 -74.1 158.5 29.3 8.7 -1.9 94 119 A V H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 -28,-0.2 0.931 122.1 50.5 -52.5 -46.9 28.3 8.4 1.8 95 120 A G H > S+ 0 0 12 -29,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.896 109.6 49.9 -59.6 -45.1 25.0 10.1 0.9 96 121 A E H > S+ 0 0 86 -30,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.841 107.7 54.6 -60.4 -39.0 24.5 7.6 -2.0 97 122 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.925 108.5 48.2 -63.7 -41.1 25.2 4.7 0.3 98 123 A a H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.928 111.2 49.9 -63.3 -44.2 22.5 5.9 2.7 99 124 A A H X>S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 5,-0.6 0.933 113.8 47.4 -55.7 -46.1 20.0 6.3 -0.2 100 125 A A H X5S+ 0 0 3 -4,-2.5 6,-2.1 1,-0.2 4,-1.4 0.917 114.4 45.6 -64.4 -48.6 21.0 2.7 -1.3 101 126 A A H X5S+ 0 0 0 -4,-3.1 4,-0.6 4,-0.3 -2,-0.2 0.941 123.4 32.9 -56.6 -49.6 20.6 1.3 2.2 102 127 A I H <5S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.937 127.5 34.7 -81.0 -45.7 17.3 2.9 3.0 103 128 A T H <5S+ 0 0 13 -4,-2.7 87,-2.6 -5,-0.4 88,-0.4 0.738 133.8 22.6 -85.5 -24.2 15.6 3.1 -0.4 104 129 A M H < - 0 0 0 -6,-2.1 4,-1.9 1,-0.2 -25,-0.2 -0.548 13.9-163.7 -73.6 117.5 21.3 -2.6 -0.2 107 132 A N H > S+ 0 0 15 -27,-2.7 4,-2.2 -2,-0.5 34,-0.3 0.833 86.4 50.4 -77.0 -33.6 23.2 -4.7 2.4 108 133 A S H > S+ 0 0 2 -28,-0.5 4,-2.7 -30,-0.3 5,-0.2 0.906 109.1 53.1 -69.8 -41.5 26.7 -4.0 1.3 109 134 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 109.9 49.6 -54.8 -42.8 25.8 -0.2 1.4 110 135 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.928 111.5 47.0 -62.6 -43.5 24.6 -0.8 5.0 111 136 A N H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.908 109.8 53.4 -67.6 -36.8 27.8 -2.6 6.0 112 137 A L H X S+ 0 0 31 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.955 113.0 44.4 -59.7 -47.7 30.0 0.1 4.3 113 138 A L H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.880 108.2 57.9 -57.4 -40.1 28.1 2.7 6.4 114 139 A L H ><>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.3 3,-0.7 0.881 102.3 55.1 -63.9 -37.1 28.3 0.6 9.5 115 140 A A H ><5S+ 0 0 61 -4,-2.1 3,-1.2 1,-0.2 -1,-0.3 0.884 103.0 56.6 -62.2 -39.0 32.1 0.6 9.2 116 141 A T H 3<5S+ 0 0 29 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 108.7 45.7 -65.8 -22.4 32.1 4.4 9.2 117 142 A V T <<5S- 0 0 18 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.263 128.6 -88.7-105.5 8.3 30.3 4.6 12.5 118 143 A G T <>5 - 0 0 53 -3,-1.2 4,-1.7 -4,-0.2 3,-0.2 0.707 66.1 -90.4 90.6 22.5 32.3 2.0 14.4 119 144 A G H > S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.914 142.2 52.0 -49.7 -43.8 27.5 -2.6 15.6 121 146 A A H > S+ 0 0 79 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.926 109.8 49.2 -61.3 -46.2 29.2 -1.5 18.8 122 147 A G H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.845 111.6 47.5 -61.6 -35.7 29.6 2.1 17.5 123 148 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.894 111.6 50.6 -77.0 -36.8 25.9 2.3 16.5 124 149 A T H X S+ 0 0 24 -4,-2.5 4,-2.6 13,-0.3 -2,-0.2 0.904 109.7 51.9 -61.0 -40.2 24.8 0.9 19.8 125 150 A A H X S+ 0 0 43 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 108.7 50.3 -63.9 -44.0 27.0 3.5 21.5 126 151 A F H X S+ 0 0 26 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.905 108.6 51.8 -57.4 -46.7 25.3 6.2 19.4 127 152 A L H <>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 3,-0.5 0.934 109.1 50.7 -55.2 -47.5 21.9 4.9 20.4 128 153 A R H ><5S+ 0 0 86 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.898 106.9 55.9 -58.0 -39.6 23.0 5.1 24.1 129 154 A Q H 3<5S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 106.2 48.7 -66.6 -28.7 24.1 8.7 23.5 130 155 A I T 3<5S- 0 0 13 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.291 126.6-100.6 -89.6 9.4 20.6 9.7 22.3 131 156 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.683 79.0 135.5 83.4 15.3 19.1 8.0 25.3 132 157 A D < + 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.885 22.5 172.4 -93.1 108.8 17.9 4.8 23.8 133 158 A N + 0 0 117 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 0.305 69.1 46.5-101.5 11.7 19.0 2.3 26.4 134 159 A V S S+ 0 0 46 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.780 82.6 86.4-119.5 -48.9 17.3 -0.7 24.8 135 160 A T - 0 0 1 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.285 56.3-177.7 -64.9 141.4 17.9 -1.0 21.1 136 161 A R - 0 0 76 19,-2.6 2,-0.5 16,-0.1 19,-0.4 -0.991 23.7-158.0-143.6 136.9 21.2 -2.9 20.2 137 162 A L + 0 0 4 -17,-0.4 -13,-0.3 -2,-0.3 -14,-0.1 -0.969 22.6 158.9-107.7 132.3 23.1 -3.8 17.0 138 163 A D + 0 0 55 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.623 56.9 38.2-119.1 -27.7 25.4 -6.8 17.4 139 164 A R - 0 0 32 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.739 69.7-116.6-131.2 173.4 26.0 -8.1 13.9 140 165 A W > - 0 0 102 -2,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.435 57.3 -38.8-103.3 170.1 26.5 -7.0 10.3 141 166 A E T 4 S+ 0 0 1 1,-0.3 -1,-0.1 -34,-0.3 -62,-0.0 -0.567 120.4 8.2 -65.8 137.1 24.4 -7.7 7.2 142 167 A T T >4 S+ 0 0 45 -2,-0.2 3,-1.6 -64,-0.1 -1,-0.3 -0.964 120.3 61.7-105.7 6.5 23.0 -10.3 6.6 143 168 A E G >4 S+ 0 0 109 -3,-0.3 3,-1.9 1,-0.3 -2,-0.2 0.785 91.1 73.2 -58.0 -25.7 23.6 -12.2 9.9 144 169 A L G 3< S+ 0 0 1 -4,-1.8 -100,-0.5 1,-0.3 3,-0.4 0.640 89.2 61.6 -69.5 -12.9 21.6 -9.5 11.8 145 170 A N G < S+ 0 0 23 -3,-1.6 69,-2.3 1,-0.2 -1,-0.3 0.326 70.1 106.3 -88.2 7.3 18.4 -10.9 10.2 146 171 A E < - 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