==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 19-OCT-10 3PAE . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR R.A.POWERS,D.A.LEONARD,K.D.SCHNEIDER . 488 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 74.2 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 . 88 18.0 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 . 4 0.8 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 . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 0 2 2 4 2 2 2 0 0 0 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 . 4 0 0 2 2 2 0 0 2 2 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 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 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 32 A H 0 0 238 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.0 32.6 -14.3 19.5 2 33 A I - 0 0 76 1,-0.1 2,-0.0 2,-0.0 5,-0.0 -0.572 360.0-127.0 -77.9 127.0 34.0 -16.8 16.8 3 34 A S > - 0 0 59 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.359 11.6-127.3 -69.4 149.4 33.4 -15.8 13.1 4 35 A S H > S+ 0 0 76 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.844 112.4 61.8 -67.3 -31.8 31.7 -18.2 10.8 5 36 A Q H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.943 107.3 45.1 -51.8 -47.5 34.6 -17.7 8.4 6 37 A Q H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.872 111.9 50.9 -69.3 -35.2 36.8 -19.1 11.2 7 38 A H H X S+ 0 0 34 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.961 112.2 47.2 -60.8 -51.3 34.3 -22.0 11.9 8 39 A E H X S+ 0 0 106 -4,-3.1 4,-2.3 1,-0.2 28,-0.4 0.891 114.7 47.0 -56.4 -42.5 34.3 -22.9 8.2 9 40 A K H X S+ 0 0 147 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.902 111.7 49.8 -68.5 -44.5 38.1 -22.7 8.0 10 41 A A H X S+ 0 0 8 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.953 113.9 44.5 -56.8 -51.2 38.6 -24.8 11.2 11 42 A I H >X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.8 0.940 111.4 52.8 -69.1 -42.4 36.3 -27.6 10.0 12 43 A K H 3X S+ 0 0 98 -4,-2.3 4,-2.8 24,-0.3 3,-0.5 0.914 105.6 56.8 -49.0 -45.1 37.7 -27.6 6.5 13 44 A S H 3X S+ 0 0 30 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.794 98.2 60.2 -64.6 -27.1 41.2 -28.0 8.1 14 45 A Y H S+ 0 0 0 -4,-1.3 5,-2.0 -3,-0.5 -2,-0.2 0.915 115.1 51.9 -72.5 -45.7 39.3 -32.8 6.6 16 47 A D H ><5S+ 0 0 65 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.918 110.3 49.1 -54.1 -45.4 42.5 -31.4 5.1 17 48 A E H 3<5S+ 0 0 140 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.3 54.4 -71.0 -26.7 44.6 -32.7 7.9 18 49 A A T 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.457 111.9-127.3 -79.9 1.8 43.0 -36.2 7.7 19 50 A Q T < 5S+ 0 0 168 -3,-1.4 2,-0.2 -4,-0.2 -3,-0.2 0.904 70.8 107.4 50.9 47.7 44.1 -36.0 4.1 20 51 A T < - 0 0 5 -5,-2.0 2,-0.4 201,-0.0 -1,-0.2 -0.727 69.6-113.5-133.7-177.6 40.7 -36.8 2.7 21 52 A Q + 0 0 75 199,-0.3 199,-2.3 -2,-0.2 2,-0.3 -0.996 52.7 129.3-118.4 135.0 37.8 -35.1 1.0 22 53 A G E -A 219 0A 0 -2,-0.4 15,-1.4 197,-0.2 16,-1.3 -0.996 41.1-134.7-171.3 175.8 34.5 -34.8 2.8 23 54 A V E -AB 218 36A 0 195,-2.7 195,-3.0 -2,-0.3 2,-0.4 -0.928 7.2-155.9-138.1 149.5 31.6 -32.9 4.1 24 55 A I E -AB 217 35A 0 11,-2.4 11,-2.7 -2,-0.3 2,-0.5 -0.974 13.5-158.1-125.6 125.2 29.8 -32.7 7.5 25 56 A I E -AB 216 34A 0 191,-2.9 191,-2.1 -2,-0.4 2,-0.4 -0.900 8.5-168.9-101.1 128.5 26.1 -31.5 7.4 26 57 A I E -AB 215 33A 2 7,-3.0 7,-3.4 -2,-0.5 2,-0.5 -0.938 5.9-157.5-117.4 137.6 24.7 -30.1 10.6 27 58 A K E - B 0 32A 25 187,-2.6 2,-0.6 -2,-0.4 5,-0.2 -0.963 8.1-175.9-117.6 125.5 21.0 -29.4 11.2 28 59 A E E > S- B 0 31A 102 3,-2.5 3,-2.3 -2,-0.5 2,-0.5 -0.937 70.3 -49.9-120.1 108.8 19.8 -27.0 13.9 29 60 A G T 3 S- 0 0 54 -2,-0.6 0, 0.0 183,-0.4 0, 0.0 -0.549 125.1 -23.1 62.5-118.4 16.1 -26.9 14.1 30 61 A K T 3 S+ 0 0 180 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.3 0.546 115.8 102.7 -95.4 -6.4 15.2 -26.5 10.4 31 62 A N E < -B 28 0A 74 -3,-2.3 -3,-2.5 258,-0.1 2,-0.5 -0.677 55.2-157.4 -92.3 118.3 18.5 -24.9 9.3 32 63 A L E -B 27 0A 31 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.812 9.3-169.7 -91.7 125.1 20.9 -27.2 7.4 33 64 A S E -B 26 0A 33 -7,-3.4 -7,-3.0 -2,-0.5 2,-0.5 -0.959 8.6-152.9-116.5 136.4 24.6 -26.2 7.3 34 65 A T E +B 25 0A 45 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.911 21.9 167.5-111.0 123.1 27.3 -27.8 5.2 35 66 A Y E +B 24 0A 35 -11,-2.7 -11,-2.4 -2,-0.5 2,-0.3 -0.794 25.0 70.0-125.1 169.0 31.0 -27.7 6.3 36 67 A G E S-B 23 0A 7 -28,-0.4 -24,-0.3 -2,-0.3 3,-0.2 -0.825 85.7 -66.2 124.2-162.8 34.2 -29.5 5.3 37 68 A N S S+ 0 0 39 -15,-1.4 -14,-0.2 -2,-0.3 -1,-0.1 0.223 121.7 42.9-115.1 12.0 36.7 -29.4 2.4 38 69 A A > + 0 0 27 -16,-1.3 3,-2.4 -3,-0.2 -1,-0.2 -0.360 62.7 170.7-152.5 66.2 34.5 -30.7 -0.4 39 70 A L G > + 0 0 93 1,-0.3 3,-2.1 -3,-0.2 4,-0.1 0.740 69.0 70.6 -55.6 -33.6 31.1 -29.1 -0.0 40 71 A A G > S+ 0 0 69 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.631 80.1 77.8 -64.3 -11.5 29.7 -30.3 -3.4 41 72 A R G X S+ 0 0 28 -3,-2.4 3,-1.6 1,-0.2 -1,-0.3 0.695 71.7 89.8 -62.0 -15.4 29.5 -33.8 -1.8 42 73 A A G < S+ 0 0 6 -3,-2.1 104,-1.8 1,-0.3 105,-0.3 0.790 97.4 26.4 -61.9 -36.7 26.4 -32.6 0.0 43 74 A N G < S+ 0 0 39 -3,-0.8 2,-0.3 102,-0.2 -1,-0.3 0.072 96.6 113.2-114.5 23.5 23.9 -33.6 -2.7 44 75 A K < - 0 0 69 -3,-1.6 2,-0.3 -4,-0.1 102,-0.1 -0.768 66.7-120.2 -92.7 142.3 25.9 -36.5 -4.3 45 76 A E + 0 0 85 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.646 37.2 165.3 -85.7 134.4 24.6 -40.1 -3.9 46 77 A Y B -F 143 0B 43 97,-2.2 97,-1.9 -2,-0.3 93,-0.0 -0.956 45.9 -86.5-136.1 159.8 26.7 -42.8 -2.2 47 78 A V - 0 0 4 -2,-0.3 95,-0.2 95,-0.2 144,-0.1 -0.368 32.0-134.7 -64.2 144.2 25.9 -46.2 -0.9 48 79 A P > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.779 36.5 179.9 -70.1 -24.2 24.7 -46.1 2.6 49 80 A A G > - 0 0 1 87,-1.9 3,-1.2 1,-0.3 4,-0.2 -0.357 68.6 -9.5 52.8-127.7 26.9 -49.0 3.6 50 81 A S G > S+ 0 0 16 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.571 120.5 82.0 -79.3 -7.7 26.5 -49.8 7.3 51 82 A T G X S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.4 0.813 80.7 69.2 -63.7 -24.8 24.4 -46.7 7.9 52 83 A F G X> S+ 0 0 0 -3,-1.2 4,-2.8 1,-0.3 3,-0.8 0.755 75.8 83.0 -63.1 -23.5 21.6 -48.8 6.6 53 84 A D H <> S+ 0 0 0 -3,-1.5 4,-3.1 1,-0.2 -1,-0.3 0.825 84.2 60.1 -47.6 -37.9 21.8 -50.9 9.7 54 85 A M H <> S+ 0 0 2 -3,-1.3 4,-1.9 -4,-0.3 -1,-0.2 0.911 112.5 35.7 -57.6 -45.4 19.6 -48.3 11.5 55 86 A L H <> S+ 0 0 0 -3,-0.8 4,-2.8 -4,-0.4 5,-0.2 0.860 113.6 57.4 -81.8 -36.9 16.8 -48.8 9.1 56 87 A N H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.963 110.4 46.2 -49.8 -52.8 17.4 -52.6 8.8 57 88 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.905 112.2 50.4 -59.9 -45.5 17.0 -52.7 12.6 58 89 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.937 113.9 44.6 -56.2 -48.4 13.8 -50.5 12.5 59 90 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.941 114.1 48.6 -62.7 -49.7 12.2 -52.7 9.8 60 91 A G H <>S+ 0 0 0 -4,-2.8 5,-3.3 -5,-0.2 6,-0.7 0.915 116.1 42.9 -60.2 -43.7 13.2 -56.0 11.5 61 92 A L H ><5S+ 0 0 11 -4,-2.6 3,-2.0 3,-0.2 -2,-0.2 0.949 113.1 50.5 -69.8 -47.4 11.9 -55.0 14.9 62 93 A E H 3<5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.873 115.2 44.4 -57.6 -40.2 8.6 -53.4 13.6 63 94 A N T 3<5S- 0 0 47 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.166 114.7-115.0 -94.5 18.7 7.9 -56.5 11.6 64 95 A H T < 5S+ 0 0 147 -3,-2.0 -3,-0.2 2,-0.1 -2,-0.1 0.854 74.2 132.8 52.7 43.7 8.8 -59.0 14.4 65 96 A K S - 0 0 67 -2,-0.3 3,-0.9 -3,-0.1 23,-0.4 -0.891 32.9-109.3-126.6 165.4 13.7 -58.8 19.3 68 99 A T T 3 S+ 0 0 52 -2,-0.3 23,-0.3 1,-0.2 21,-0.1 0.580 118.1 43.8 -72.8 -10.3 16.2 -56.6 21.1 69 100 A N T 3 S+ 0 0 121 20,-0.1 -1,-0.2 21,-0.1 2,-0.0 0.522 83.6 119.6-107.4 -6.2 17.4 -59.5 23.4 70 101 A E < - 0 0 59 -3,-0.9 2,-0.6 1,-0.1 20,-0.3 -0.322 59.9-136.7 -62.6 136.4 17.6 -62.2 20.7 71 102 A I - 0 0 93 18,-0.1 2,-0.8 19,-0.1 18,-0.3 -0.859 6.6-149.1-101.6 117.5 21.1 -63.6 20.3 72 103 A F B -G 88 0C 11 16,-3.7 16,-2.3 -2,-0.6 2,-0.2 -0.779 24.7-134.9 -83.5 112.3 22.2 -64.0 16.7 73 104 A K - 0 0 154 -2,-0.8 2,-0.3 14,-0.2 14,-0.1 -0.449 11.8-116.8 -71.0 138.3 24.6 -67.0 16.9 74 105 A W - 0 0 91 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.600 19.7-141.1 -65.6 130.2 27.9 -67.0 15.1 75 106 A D - 0 0 95 -2,-0.3 -1,-0.1 11,-0.1 3,-0.1 0.564 38.4-112.1 -73.2 -9.7 27.7 -69.8 12.4 76 107 A G S S+ 0 0 47 1,-0.3 2,-0.2 10,-0.0 -1,-0.1 0.444 74.8 131.5 91.1 2.7 31.4 -70.7 13.2 77 108 A K - 0 0 141 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.605 69.2 -93.1 -86.1 148.1 32.7 -69.5 9.8 78 109 A K - 0 0 193 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.274 45.7-154.6 -60.3 140.8 35.7 -67.3 9.5 79 110 A R - 0 0 50 1,-0.1 6,-0.1 -3,-0.1 -1,-0.1 -0.787 27.9-111.1-117.6 162.5 34.8 -63.6 9.5 80 111 A T S S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.907 109.4 35.1 -56.7 -39.8 36.6 -60.6 8.0 81 112 A Y S > S- 0 0 91 1,-0.1 3,-2.4 -3,-0.0 4,-0.2 -0.960 75.4-140.4-122.1 128.0 37.1 -59.3 11.6 82 113 A P G > S+ 0 0 106 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.824 101.9 68.1 -56.1 -32.4 37.8 -61.6 14.6 83 114 A M G 3 S+ 0 0 112 1,-0.3 15,-0.1 -3,-0.0 13,-0.1 0.712 94.7 57.8 -57.8 -21.9 35.6 -59.3 16.7 84 115 A W G < S+ 0 0 24 -3,-2.4 2,-1.7 1,-0.2 -1,-0.3 0.493 78.7 96.1 -87.0 -3.8 32.6 -60.6 14.6 85 116 A E S < S+ 0 0 57 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.394 74.8 73.6 -86.6 61.8 33.2 -64.3 15.5 86 117 A K S S- 0 0 89 -2,-1.7 2,-0.2 -14,-0.1 -11,-0.1 -0.974 87.1 -84.8-163.7 169.6 30.7 -64.4 18.3 87 118 A D + 0 0 76 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.2 -0.561 53.7 169.8 -84.7 139.4 27.1 -64.4 19.3 88 119 A M B -G 72 0C 3 -16,-2.3 -16,-3.7 -2,-0.2 2,-0.1 -1.000 34.1-124.7-156.3 155.5 25.4 -61.1 19.5 89 120 A T > - 0 0 25 -2,-0.3 4,-2.4 -18,-0.3 5,-0.2 -0.388 46.3 -99.5 -85.3 169.5 22.2 -59.1 19.8 90 121 A L H > S+ 0 0 0 -23,-0.4 4,-2.5 -20,-0.3 5,-0.1 0.905 124.9 55.8 -54.6 -44.2 21.1 -56.4 17.2 91 122 A G H > S+ 0 0 20 -23,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.898 110.1 42.4 -56.6 -46.4 22.5 -53.8 19.7 92 123 A E H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 113.2 52.7 -68.0 -41.0 25.9 -55.4 19.8 93 124 A A H X>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 4,-0.7 0.872 107.2 54.6 -63.3 -33.6 25.9 -56.0 16.1 94 125 A M H ><5S+ 0 0 6 -4,-2.5 3,-0.9 2,-0.2 -2,-0.2 0.949 109.7 44.9 -63.9 -48.8 25.1 -52.2 15.7 95 126 A A H 3<5S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.897 121.0 39.9 -62.8 -38.8 28.1 -51.1 17.8 96 127 A L H 3<5S- 0 0 48 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.497 102.5-130.6 -87.9 -2.3 30.4 -53.5 16.0 97 128 A S T <<5 - 0 0 17 -3,-0.9 2,-1.4 -4,-0.7 -3,-0.2 0.857 35.8-176.2 48.0 43.3 28.9 -53.0 12.5 98 129 A A >>< - 0 0 0 -5,-2.0 4,-1.3 1,-0.2 3,-1.2 -0.517 10.9-170.4 -74.3 91.8 28.6 -56.8 12.2 99 130 A V H 3> S+ 0 0 28 -2,-1.4 4,-2.6 1,-0.2 5,-0.3 0.820 77.6 66.3 -56.6 -33.7 27.3 -57.1 8.7 100 131 A P H 3> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.884 104.1 47.1 -58.5 -32.5 26.6 -60.9 9.0 101 132 A V H <> S+ 0 0 10 -3,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.925 112.5 46.9 -70.2 -45.8 23.9 -60.2 11.5 102 133 A Y H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.798 111.5 53.8 -69.4 -24.5 22.3 -57.4 9.5 103 134 A Q H X S+ 0 0 38 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.902 108.8 47.6 -72.9 -40.1 22.5 -59.7 6.5 104 135 A E H X S+ 0 0 74 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.947 112.4 50.2 -63.7 -45.6 20.6 -62.4 8.4 105 136 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.915 109.6 50.4 -57.4 -43.6 18.1 -59.8 9.5 106 137 A A H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 -1,-0.2 0.902 108.9 52.0 -60.9 -44.7 17.6 -58.7 5.9 107 138 A R H < S+ 0 0 121 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.863 109.2 50.6 -58.6 -37.7 17.1 -62.3 4.8 108 139 A R H < S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.967 112.7 45.1 -65.2 -53.5 14.4 -62.7 7.5 109 140 A T H < S- 0 0 8 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.948 107.8-153.7 -49.9 -52.2 12.6 -59.6 6.4 110 141 A G X - 0 0 19 -4,-3.5 4,-2.7 -5,-0.2 5,-0.2 0.189 24.1 -78.0 88.1 155.0 13.0 -60.7 2.8 111 142 A L H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 123.4 48.5 -59.2 -50.0 13.2 -58.9 -0.5 112 143 A E H > S+ 0 0 172 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 117.8 40.2 -57.2 -50.5 9.5 -58.1 -1.1 113 144 A L H > S+ 0 0 46 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.891 113.7 55.3 -67.5 -36.9 8.9 -56.7 2.4 114 145 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.941 109.3 46.4 -61.0 -45.8 12.3 -54.9 2.4 115 146 A Q H X S+ 0 0 46 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.915 112.2 49.8 -64.1 -44.3 11.5 -53.0 -0.8 116 147 A K H X S+ 0 0 117 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.872 113.5 46.4 -65.5 -36.8 8.1 -52.0 0.4 117 148 A E H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.875 110.2 51.8 -73.6 -37.9 9.5 -50.8 3.7 118 149 A V H X>S+ 0 0 0 -4,-2.7 5,-1.7 -5,-0.2 4,-0.8 0.920 113.2 47.0 -65.3 -40.6 12.3 -48.8 2.0 119 150 A K H ><5S+ 0 0 78 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.937 109.0 54.3 -56.2 -53.2 9.7 -47.2 -0.3 120 151 A R H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 114.2 39.7 -57.3 -39.3 7.4 -46.4 2.6 121 152 A V H 3<5S- 0 0 16 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.615 103.8-133.8 -87.8 -7.3 10.1 -44.6 4.5 122 153 A N T <<5 - 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