==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 13-DEC-05 2C9K . COMPND 2 MOLECULE: PESTICIDAL CRYSTAL PROTEIN CRY4AA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR P.BOONSERM,M.MO,C.ANGSUTHANASOMBAT,J.LESCAR . 598 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 21.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 1 0 0 0 1 2 0 1 1 2 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 3 0 4 2 2 2 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 . 0 1 1 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 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 68 A G 0 0 46 0, 0.0 2,-0.6 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0-149.3 3.0 44.0 -6.9 2 69 A E + 0 0 139 399,-0.0 2,-0.1 1,-0.0 398,-0.0 -0.792 360.0 87.5-117.9 87.6 -0.5 42.7 -7.6 3 70 A L > - 0 0 44 -2,-0.6 3,-0.5 1,-0.0 4,-0.4 -0.457 47.0-168.9 179.8 99.5 -0.7 39.1 -6.6 4 71 A S T 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.538 71.5 84.3 -77.0 -10.2 -1.7 38.1 -3.0 5 72 A A H 3> S+ 0 0 8 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.935 86.4 58.5 -58.7 -45.4 -0.8 34.4 -3.2 6 73 A Y H <> S+ 0 0 8 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.943 114.3 35.6 -46.2 -59.3 2.8 35.1 -2.4 7 74 A T H > S+ 0 0 3 -4,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.758 119.9 50.1 -70.8 -25.6 1.9 36.9 0.9 8 75 A I H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.919 107.9 50.3 -78.7 -46.8 -1.0 34.5 1.7 9 76 A V H X S+ 0 0 0 -4,-3.7 4,-1.4 1,-0.2 -2,-0.2 0.892 114.5 47.2 -57.1 -37.5 0.9 31.2 1.2 10 77 A V H X S+ 0 0 1 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.889 109.1 54.0 -71.7 -37.7 3.6 32.7 3.5 11 78 A G H X S+ 0 0 6 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.864 107.0 51.4 -63.5 -36.7 1.0 33.8 6.0 12 79 A T H X S+ 0 0 23 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.852 107.3 51.7 -69.6 -38.1 -0.5 30.3 6.2 13 80 A V H X S+ 0 0 4 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.932 108.4 50.6 -65.3 -46.9 2.8 28.5 6.8 14 81 A L H < S+ 0 0 12 -4,-1.8 3,-0.5 1,-0.2 234,-0.2 0.942 116.4 42.1 -54.3 -50.2 3.7 30.9 9.7 15 82 A T H >< S+ 0 0 104 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.831 109.1 63.0 -65.2 -33.3 0.3 30.2 11.3 16 83 A G H >< S+ 0 0 17 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.793 89.4 62.9 -65.5 -32.8 0.7 26.5 10.4 17 84 A F T 3< S+ 0 0 5 -4,-1.6 229,-3.1 -3,-0.5 -1,-0.3 0.376 76.2 103.8 -75.9 8.6 3.7 25.8 12.6 18 85 A G T < S+ 0 0 18 -3,-1.3 -1,-0.2 227,-0.2 -2,-0.1 0.820 86.0 10.6 -59.4 -38.4 1.5 26.6 15.5 19 86 A F < - 0 0 149 -3,-0.8 2,-0.2 -4,-0.1 227,-0.1 -0.097 69.5-120.8-118.7-143.1 0.9 23.1 16.7 20 87 A T + 0 0 62 225,-0.1 -3,-0.1 4,-0.1 224,-0.0 -0.626 39.1 153.3-171.9 106.4 2.0 19.5 16.1 21 88 A T > - 0 0 69 -2,-0.2 3,-2.9 1,-0.0 139,-0.1 -0.952 56.5-101.0-144.3 160.8 -0.3 16.7 15.0 22 89 A P T 3 S+ 0 0 23 0, 0.0 138,-0.1 0, 0.0 141,-0.1 0.583 124.6 43.5 -52.5 -14.1 -0.6 13.3 13.2 23 90 A L T >> S- 0 0 17 1,-0.1 3,-1.4 136,-0.1 4,-1.1 0.315 96.5-163.7-115.2 4.7 -2.0 15.2 10.1 24 91 A G T <4 - 0 0 9 -3,-2.9 4,-0.5 1,-0.2 3,-0.2 0.115 56.5 -33.4 44.5-157.7 0.6 18.0 10.3 25 92 A L T 34 S+ 0 0 15 127,-0.2 4,-0.4 1,-0.2 5,-0.3 0.284 124.3 84.3 -75.9 11.1 0.1 21.2 8.4 26 93 A A T <> S+ 0 0 0 -3,-1.4 4,-2.6 3,-0.2 5,-0.5 0.986 81.3 48.5 -77.1 -68.7 -1.7 19.2 5.7 27 94 A L T < S+ 0 0 23 -4,-1.1 4,-0.2 -3,-0.2 -2,-0.1 0.782 131.9 18.9 -42.9 -38.6 -5.3 18.8 6.8 28 95 A I T > S+ 0 0 120 -4,-0.5 4,-0.7 -5,-0.2 3,-0.4 0.857 123.2 52.0-102.3 -54.4 -5.6 22.5 7.5 29 96 A G H >> S+ 0 0 7 -4,-0.4 4,-2.9 1,-0.3 3,-0.8 0.848 111.9 52.1 -53.0 -34.7 -2.8 24.3 5.7 30 97 A F H 3X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.3 0.862 94.0 69.4 -70.3 -35.2 -4.0 22.5 2.6 31 98 A G H 34 S+ 0 0 34 -5,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.750 115.7 28.1 -53.9 -21.7 -7.5 23.7 3.2 32 99 A T H < + 0 0 4 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 -0.453 59.4 152.2-144.7 68.0 -5.6 26.1 -7.7 39 106 A P T 3 S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.723 88.1 36.1 -69.5 -22.3 -8.8 28.2 -7.9 40 107 A A T > S- 0 0 35 1,-0.5 3,-1.4 -3,-0.1 -2,-0.0 -0.230 112.2-124.9-122.3 39.0 -9.8 26.6 -11.3 41 108 A Q G X S- 0 0 88 -3,-1.2 3,-0.9 1,-0.2 -1,-0.5 -0.128 75.9 -13.0 53.4-143.0 -8.5 23.1 -10.3 42 109 A D G 3 S+ 0 0 81 1,-0.3 -1,-0.2 -3,-0.1 33,-0.1 0.116 136.3 61.5 -77.6 24.9 -5.9 21.5 -12.6 43 110 A Q G < S+ 0 0 144 -3,-1.4 -1,-0.3 -5,-0.0 -2,-0.2 -0.110 76.6 127.2-139.6 35.4 -6.7 24.1 -15.2 44 111 A S < - 0 0 2 -3,-0.9 4,-0.1 27,-0.2 31,-0.1 -0.268 56.5-139.6 -86.1 176.1 -5.7 27.3 -13.4 45 112 A N > + 0 0 100 2,-0.1 4,-2.8 1,-0.1 5,-0.2 0.033 65.7 116.4-125.6 23.8 -3.3 30.0 -14.6 46 113 A T H > S+ 0 0 13 -9,-0.2 4,-2.5 1,-0.2 5,-0.1 0.938 79.8 44.3 -58.3 -51.3 -1.5 30.5 -11.2 47 114 A W H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.836 112.4 53.1 -64.7 -34.4 1.9 29.4 -12.5 48 115 A S H > S+ 0 0 21 2,-0.2 4,-4.3 1,-0.2 5,-0.3 0.968 110.5 47.1 -64.4 -50.7 1.5 31.4 -15.7 49 116 A D H X S+ 0 0 85 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.907 113.0 49.5 -56.1 -43.5 0.7 34.5 -13.7 50 117 A F H X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.936 118.3 39.1 -62.1 -45.5 3.7 33.7 -11.5 51 118 A I H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.921 116.0 49.8 -71.5 -45.5 6.0 33.3 -14.5 52 119 A T H X S+ 0 0 55 -4,-4.3 4,-1.8 1,-0.2 -3,-0.2 0.929 111.1 50.2 -60.1 -44.7 4.5 36.1 -16.6 53 120 A Q H X S+ 0 0 23 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.901 112.4 46.3 -62.1 -41.7 4.9 38.5 -13.8 54 121 A T H >X S+ 0 0 3 -4,-1.6 4,-1.8 -5,-0.2 3,-1.2 0.953 113.2 49.2 -64.1 -48.0 8.5 37.6 -13.2 55 122 A K H 3X S+ 0 0 23 -4,-2.8 4,-1.4 1,-0.3 5,-0.5 0.753 104.4 61.4 -61.4 -27.3 9.3 37.8 -16.9 56 123 A N H 3< S+ 0 0 101 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.738 107.3 43.6 -73.8 -22.6 7.6 41.2 -17.0 57 124 A I H << S+ 0 0 26 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.830 118.5 41.2 -90.2 -35.6 10.1 42.6 -14.6 58 125 A I H < S- 0 0 24 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.685 92.5-155.6 -82.2 -18.2 13.2 41.0 -16.1 59 126 A K < + 0 0 134 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.1 0.781 44.9 130.1 44.7 40.5 11.8 41.9 -19.5 60 127 A K - 0 0 75 -5,-0.5 2,-0.3 74,-0.1 -1,-0.2 -0.735 49.0-119.9-111.0 165.5 13.7 39.1 -21.3 61 128 A E + 0 0 160 -2,-0.3 2,-0.3 -3,-0.1 73,-0.1 -0.861 35.1 152.4-127.2 154.0 12.1 36.7 -23.7 62 129 A I - 0 0 24 -2,-0.3 5,-0.1 72,-0.0 2,-0.0 -0.957 57.0 -72.0-156.3 155.5 11.4 33.0 -24.5 63 130 A A >> - 0 0 54 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 -0.283 38.1-130.9 -56.2 129.4 8.6 31.2 -26.3 64 131 A S H 3> S+ 0 0 87 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.581 100.9 79.7 -58.8 -8.8 5.4 31.2 -24.4 65 132 A T H 3> S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.799 89.0 55.1 -69.6 -26.9 5.2 27.5 -25.0 66 133 A Y H <> S+ 0 0 58 -3,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.839 107.8 49.1 -72.2 -34.2 7.7 27.1 -22.1 67 134 A I H X S+ 0 0 17 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.937 113.0 44.0 -71.1 -49.5 5.4 29.0 -19.8 68 135 A S H X S+ 0 0 55 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.793 111.7 55.5 -67.6 -27.7 2.2 27.1 -20.6 69 136 A N H X S+ 0 0 48 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.2 0.940 108.5 47.1 -69.1 -44.7 4.2 23.8 -20.4 70 137 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.906 112.8 49.7 -60.4 -42.1 5.3 24.8 -16.9 71 138 A N H X S+ 0 0 16 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.825 110.7 50.4 -66.1 -32.0 1.7 25.7 -16.0 72 139 A K H < S+ 0 0 135 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.843 112.7 46.8 -73.4 -37.2 0.5 22.4 -17.4 73 140 A I H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.899 113.3 43.9 -74.1 -46.5 3.1 20.4 -15.4 74 141 A L H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.601 99.6 72.8 -77.5 -11.5 2.7 22.0 -12.0 75 142 A N T 3< S+ 0 0 7 -4,-0.6 4,-0.3 -5,-0.2 -1,-0.2 0.309 82.0 74.2 -84.3 10.1 -1.1 21.9 -12.3 76 143 A R T X> S+ 0 0 113 -3,-1.0 4,-1.6 1,-0.2 3,-0.7 0.757 78.0 72.3 -88.9 -30.7 -0.9 18.1 -11.8 77 144 A S H <> S+ 0 0 2 -3,-0.7 4,-2.6 -4,-0.2 5,-0.3 0.770 83.6 73.8 -55.8 -25.2 -0.2 18.6 -8.1 78 145 A F H 3> S+ 0 0 29 -4,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.959 102.7 35.1 -54.9 -56.3 -3.8 19.6 -7.7 79 146 A N H <> S+ 0 0 84 -3,-0.7 4,-2.2 -4,-0.3 5,-0.3 0.894 118.7 51.6 -66.4 -39.7 -5.2 16.1 -8.2 80 147 A V H X S+ 0 0 36 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.800 117.0 40.6 -68.4 -27.3 -2.3 14.4 -6.3 81 148 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.845 112.3 55.0 -87.1 -36.8 -2.8 16.8 -3.4 82 149 A S H X S+ 0 0 21 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.924 110.2 44.8 -61.6 -47.7 -6.6 16.7 -3.4 83 150 A T H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.931 115.4 48.0 -62.7 -46.9 -6.7 12.9 -3.1 84 151 A Y H X S+ 0 0 0 -4,-0.9 4,-1.6 -5,-0.3 -2,-0.2 0.925 110.4 52.9 -58.2 -46.7 -4.1 12.9 -0.4 85 152 A H H X S+ 0 0 33 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.861 110.1 48.2 -58.7 -38.7 -5.9 15.7 1.4 86 153 A N H X S+ 0 0 86 -4,-2.0 4,-4.6 2,-0.2 5,-0.3 0.974 108.5 50.1 -68.1 -56.3 -9.2 13.7 1.4 87 154 A H H < S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.813 113.7 49.7 -52.1 -31.2 -7.8 10.4 2.6 88 155 A L H >X S+ 0 0 0 -4,-1.6 3,-1.5 -5,-0.2 4,-1.2 0.968 114.4 40.9 -71.3 -55.3 -6.2 12.4 5.4 89 156 A K H 3<>S+ 0 0 108 -4,-2.4 5,-0.7 1,-0.3 3,-0.5 0.885 114.7 54.7 -57.8 -38.6 -9.4 14.2 6.3 90 157 A T T 3<5S+ 0 0 45 -4,-4.6 -1,-0.3 1,-0.2 -2,-0.2 0.632 105.3 56.5 -69.3 -14.7 -11.1 10.8 5.8 91 158 A W T <45S+ 0 0 14 -3,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.766 106.5 46.2 -89.7 -28.6 -8.6 9.5 8.3 92 159 A E T <5S+ 0 0 50 -4,-1.2 -3,-0.1 -3,-0.5 -2,-0.1 0.797 121.3 15.0 -81.2-106.9 -9.4 11.8 11.2 93 160 A N T 5S+ 0 0 142 -4,-0.1 -3,-0.1 3,-0.0 3,-0.1 0.749 115.0 82.0 -40.4 -31.1 -12.9 12.6 12.3 94 161 A N S S+ 0 0 134 2,-0.2 3,-2.7 1,-0.2 -3,-0.0 0.963 111.3 35.2 -81.7 -60.2 -7.9 0.6 5.9 100 167 A T T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -10,-0.1 3,-0.1 0.465 113.3 67.7 -70.6 2.6 -8.7 4.3 5.5 101 168 A Q T > S+ 0 0 5 1,-0.2 2,-1.8 2,-0.1 3,-0.5 0.482 71.7 92.3 -95.3 -10.2 -5.8 4.4 7.9 102 169 A D T X> + 0 0 81 -3,-2.7 3,-1.1 1,-0.2 4,-0.5 -0.280 42.5 135.0 -81.8 51.3 -3.6 3.1 5.2 103 170 A V H 3> + 0 0 2 -2,-1.8 4,-2.5 1,-0.2 3,-0.5 0.712 51.1 85.0 -69.8 -22.7 -2.7 6.7 4.3 104 171 A R H <> S+ 0 0 58 -3,-0.5 4,-1.0 1,-0.3 -1,-0.2 0.738 87.6 51.0 -52.2 -26.0 0.9 5.5 4.1 105 172 A T H <> S+ 0 0 69 -3,-1.1 4,-1.2 2,-0.2 -1,-0.3 0.882 108.9 49.6 -79.9 -39.1 0.2 4.5 0.5 106 173 A Q H X S+ 0 0 19 -4,-0.5 4,-2.0 -3,-0.5 -2,-0.2 0.855 107.4 54.7 -66.4 -37.4 -1.3 7.9 -0.4 107 174 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.894 103.3 58.4 -62.6 -38.0 1.8 9.6 1.1 108 175 A Q H X S+ 0 0 79 -4,-1.0 4,-1.2 -5,-0.3 -1,-0.2 0.848 105.9 47.7 -59.8 -37.7 3.9 7.4 -1.2 109 176 A L H X S+ 0 0 95 -4,-1.2 4,-3.1 2,-0.2 -1,-0.2 0.915 110.6 49.7 -71.7 -44.3 2.1 8.9 -4.3 110 177 A V H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.865 112.5 49.0 -63.2 -34.5 2.5 12.5 -3.2 111 178 A H H X S+ 0 0 25 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.814 113.2 47.4 -74.1 -27.4 6.2 11.8 -2.6 112 179 A Y H X S+ 0 0 141 -4,-1.2 4,-1.1 -5,-0.2 3,-0.3 0.874 107.2 56.2 -78.0 -39.6 6.5 10.2 -6.0 113 180 A H H X S+ 0 0 24 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.847 111.2 44.2 -60.4 -36.0 4.6 13.0 -7.7 114 181 A F H X S+ 0 0 1 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.666 103.8 60.7 -86.3 -17.8 7.1 15.6 -6.4 115 182 A Q H < S+ 0 0 95 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.767 120.0 30.7 -76.3 -24.2 10.3 13.6 -7.1 116 183 A N H X S+ 0 0 71 -4,-1.1 4,-2.1 2,-0.1 -2,-0.2 0.841 114.7 53.6-100.5 -43.6 9.3 13.7 -10.7 117 184 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 -3,-0.2 0.815 108.5 50.2 -66.7 -32.2 7.3 17.0 -11.3 118 185 A I H X S+ 0 0 7 -4,-0.8 4,-2.3 2,-0.2 5,-0.2 0.939 113.5 42.5 -74.1 -46.5 10.0 19.3 -9.9 119 186 A P H > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.915 113.9 54.9 -65.6 -35.1 12.9 17.9 -11.9 120 187 A E H X S+ 0 0 60 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.975 107.1 50.6 -55.7 -55.9 10.6 17.8 -14.9 121 188 A L H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.920 115.0 41.6 -46.3 -57.5 9.9 21.5 -14.4 122 189 A V H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.4 49.4 -64.6 -34.7 13.6 22.5 -14.2 123 190 A N H 3< 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