==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 30-JUL-10 3O75 . COMPND 2 MOLECULE: FRUCTOSE TRANSPORT SYSTEM REPRESSOR FRUR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.CHAVARRIA,C.SANTIAGO,R.PLATERO,T.KRELL,J.M.CASASNOVAS,V.DE . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 0 0.0 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 . 40 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 0 0 0 3 5 0 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 2 2 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 1 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 60 A H 0 0 150 0, 0.0 58,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 141.6 19.0 -2.0 28.1 2 61 A T - 0 0 50 56,-0.3 3,-0.1 2,-0.2 57,-0.1 0.623 360.0-138.0 -85.3 -14.8 17.1 -4.8 26.4 3 62 A R + 0 0 107 1,-0.2 31,-2.6 30,-0.1 2,-0.3 0.736 66.2 115.8 60.0 23.2 18.3 -3.8 22.9 4 63 A T E -a 34 0A 4 29,-0.2 56,-2.5 54,-0.2 57,-0.7 -0.908 48.7-160.6-119.1 151.8 14.8 -4.4 21.6 5 64 A L E -ab 35 61A 0 29,-2.6 31,-3.0 -2,-0.3 2,-0.3 -0.953 10.2-141.1-127.9 149.5 12.3 -2.0 20.1 6 65 A G E -ab 36 62A 0 55,-2.4 57,-3.2 -2,-0.3 2,-0.4 -0.840 9.6-166.2-112.5 150.0 8.6 -2.3 19.7 7 66 A F E -ab 37 63A 0 29,-2.0 31,-2.3 -2,-0.3 2,-0.7 -0.906 3.5-166.6-139.4 109.8 6.3 -1.3 16.9 8 67 A I E +ab 38 64A 0 55,-2.5 57,-2.7 -2,-0.4 31,-0.2 -0.859 19.8 173.5 -92.1 116.9 2.5 -1.1 17.1 9 68 A L E -a 39 0A 1 29,-2.2 31,-2.1 -2,-0.7 32,-0.4 -0.874 33.8-132.1-122.5 156.8 1.0 -0.8 13.6 10 69 A P S S+ 0 0 2 0, 0.0 31,-0.9 0, 0.0 2,-0.3 0.819 86.3 20.3 -77.0 -35.7 -2.7 -0.9 12.5 11 70 A D > - 0 0 23 3,-0.1 3,-1.5 30,-0.1 6,-0.3 -0.892 46.5-167.1-150.8 111.5 -2.6 -3.3 9.6 12 71 A L T 3 S+ 0 0 9 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.763 96.6 55.9 -64.3 -28.0 -0.1 -6.0 8.6 13 72 A E T 3 S+ 0 0 60 276,-0.1 -1,-0.3 277,-0.1 3,-0.1 0.283 81.5 95.9 -93.7 9.4 -1.8 -6.3 5.2 14 73 A N S X> S- 0 0 16 -3,-1.5 4,-1.8 1,-0.1 3,-1.1 -0.904 71.6-149.1 -92.6 108.3 -1.3 -2.6 4.5 15 74 A P H 3> S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.767 91.3 62.1 -53.8 -30.5 1.9 -2.8 2.4 16 75 A S H 3> S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 106.7 43.8 -62.3 -43.2 3.0 0.7 3.7 17 76 A Y H <> S+ 0 0 15 -3,-1.1 4,-3.0 -6,-0.3 5,-0.2 0.920 112.8 51.1 -67.3 -42.8 3.1 -0.5 7.3 18 77 A A H X S+ 0 0 11 -4,-1.8 4,-2.1 -7,-0.3 -2,-0.2 0.900 112.0 50.4 -57.1 -39.5 4.9 -3.7 6.3 19 78 A R H X S+ 0 0 98 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.922 111.6 44.8 -64.6 -48.6 7.3 -1.5 4.4 20 79 A I H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 5,-0.2 0.932 112.5 52.5 -62.9 -44.8 8.0 0.8 7.4 21 80 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.891 111.5 46.0 -58.5 -43.4 8.3 -2.1 9.8 22 81 A K H X S+ 0 0 30 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.915 114.1 47.8 -66.2 -44.8 10.9 -3.8 7.5 23 82 A Q H X S+ 0 0 55 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.948 113.3 48.9 -59.4 -48.7 12.8 -0.5 7.0 24 83 A L H X S+ 0 0 2 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.898 112.6 49.5 -54.8 -44.5 12.7 0.0 10.8 25 84 A E H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.921 110.3 45.9 -66.6 -48.9 13.9 -3.5 11.4 26 85 A Q H X S+ 0 0 85 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.891 116.8 46.1 -64.4 -39.9 16.9 -3.5 9.0 27 86 A G H X S+ 0 0 27 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.904 112.7 50.4 -66.0 -42.3 18.0 -0.2 10.3 28 87 A A H ><>S+ 0 0 1 -4,-2.4 5,-3.1 -5,-0.3 3,-0.5 0.897 108.5 52.2 -65.1 -41.0 17.5 -1.2 14.0 29 88 A R H ><5S+ 0 0 48 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.901 104.2 56.0 -60.2 -43.0 19.5 -4.4 13.4 30 89 A A H 3<5S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.746 107.4 50.6 -64.4 -23.2 22.4 -2.5 12.0 31 90 A R T <<5S- 0 0 173 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.122 128.4-100.3 -98.1 17.6 22.4 -0.5 15.2 32 91 A G T < 5S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.694 83.9 123.8 75.7 20.4 22.4 -3.7 17.3 33 92 A Y < - 0 0 1 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.852 50.8-142.2-113.7 150.4 18.7 -3.6 18.1 34 93 A Q E -a 4 0A 29 -31,-2.6 -29,-2.6 -2,-0.3 2,-0.5 -0.787 15.6-140.1-104.1 154.0 16.0 -6.2 17.5 35 94 A L E -a 5 0A 7 -2,-0.3 2,-0.5 -31,-0.2 275,-0.3 -0.956 10.2-166.0-123.2 120.6 12.4 -5.2 16.5 36 95 A L E -a 6 0A 0 -31,-3.0 -29,-2.0 -2,-0.5 2,-0.3 -0.899 14.7-160.9-102.5 127.7 9.2 -6.8 17.7 37 96 A I E +aC 7 308A 1 271,-3.4 271,-3.3 -2,-0.5 2,-0.3 -0.823 13.2 173.5-113.3 144.0 6.1 -6.0 15.8 38 97 A A E -a 8 0A 0 -31,-2.3 -29,-2.2 -2,-0.3 2,-0.3 -0.994 21.2-132.6-148.2 149.1 2.4 -6.3 16.7 39 98 A S E -a 9 0A 5 -2,-0.3 267,-0.2 267,-0.3 -28,-0.1 -0.787 12.5-171.9-107.9 145.9 -0.9 -5.2 15.1 40 99 A S > - 0 0 0 -31,-2.1 3,-1.4 -2,-0.3 7,-0.2 0.551 31.6-136.9-105.9 -13.6 -3.9 -3.4 16.5 41 100 A D T 3 - 0 0 35 -31,-0.9 -30,-0.1 -32,-0.4 -2,-0.0 0.704 65.3 -73.3 56.5 21.1 -6.3 -3.8 13.6 42 101 A D T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -33,-0.2 3,-0.1 0.822 100.5 133.9 64.3 33.5 -7.1 -0.1 14.3 43 102 A Q <> - 0 0 107 -3,-1.4 4,-2.4 1,-0.1 -1,-0.2 -0.970 53.8-146.3-117.4 125.0 -9.1 -1.0 17.5 44 103 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.862 99.3 54.4 -55.9 -40.6 -8.5 1.0 20.7 45 104 A D H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.972 111.0 43.3 -57.2 -57.0 -9.1 -2.0 22.9 46 105 A S H > S+ 0 0 14 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 112.0 54.9 -57.8 -39.9 -6.5 -4.2 21.1 47 106 A E H X S+ 0 0 0 -4,-2.4 4,-1.7 -7,-0.2 -1,-0.2 0.867 106.8 50.1 -63.6 -37.8 -4.0 -1.3 21.0 48 107 A R H X S+ 0 0 85 -4,-2.0 4,-1.8 -3,-0.3 -1,-0.2 0.888 107.8 53.9 -67.9 -38.9 -4.3 -0.8 24.8 49 108 A Q H X S+ 0 0 78 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.897 109.2 48.1 -59.8 -41.7 -3.6 -4.6 25.3 50 109 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.847 103.4 63.5 -66.7 -34.3 -0.5 -4.2 23.2 51 110 A Q H X S+ 0 0 16 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.954 104.8 45.2 -50.0 -54.0 0.4 -1.2 25.4 52 111 A Q H X S+ 0 0 104 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.838 112.1 54.4 -60.4 -36.2 0.6 -3.5 28.4 53 112 A L H X S+ 0 0 12 -4,-1.4 4,-2.8 1,-0.2 3,-0.3 0.959 105.3 47.8 -66.3 -53.6 2.6 -6.1 26.4 54 113 A F H <>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.3 -1,-0.2 0.736 112.5 50.4 -66.5 -22.9 5.5 -3.9 25.2 55 114 A R H <5S+ 0 0 93 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.805 110.6 48.8 -81.0 -32.1 6.0 -2.4 28.6 56 115 A A H <5S+ 0 0 69 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.896 111.3 48.8 -70.0 -41.9 6.1 -5.9 30.2 57 116 A R T <5S- 0 0 33 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.627 106.9-145.6 -64.2 -12.8 8.6 -6.9 27.5 58 117 A R T 5 - 0 0 120 -5,-0.3 -56,-0.3 1,-0.1 -3,-0.2 0.902 22.0-170.4 36.8 58.7 10.2 -3.6 28.6 59 118 A C < - 0 0 1 -5,-2.0 -54,-0.2 1,-0.1 -1,-0.1 -0.366 30.7-118.3 -64.4 154.2 11.4 -2.7 25.1 60 119 A D S S- 0 0 10 -56,-2.5 2,-0.3 1,-0.2 -55,-0.2 0.898 90.4 -0.4 -65.6 -41.7 13.8 0.2 25.1 61 120 A A E -b 5 0A 0 -57,-0.7 -55,-2.4 22,-0.1 2,-0.5 -0.973 66.4-138.4-147.1 160.8 11.5 2.3 22.9 62 121 A L E -bd 6 85A 1 22,-2.4 24,-3.0 -2,-0.3 2,-0.3 -0.963 5.3-162.5-130.2 116.5 8.1 2.0 21.2 63 122 A F E -bd 7 86A 2 -57,-3.2 -55,-2.5 -2,-0.5 2,-0.3 -0.733 21.6-179.1 -85.8 145.8 7.0 3.2 17.8 64 123 A V E -bd 8 87A 0 22,-2.0 24,-1.8 -2,-0.3 2,-0.9 -0.948 34.5-159.8-153.2 128.0 3.2 3.4 17.3 65 124 A A - 0 0 0 -57,-2.7 24,-0.1 -2,-0.3 26,-0.1 -0.817 43.4-156.6 -97.8 88.3 0.8 4.3 14.6 66 125 A S - 0 0 5 -2,-0.9 -2,-0.0 24,-0.5 24,-0.0 -0.190 36.2-171.8 -76.2 156.3 -2.0 5.0 17.0 67 126 A C + 0 0 7 -24,-0.1 -1,-0.1 65,-0.1 -2,-0.0 0.217 54.9 119.7-118.5 4.5 -5.8 4.9 16.6 68 127 A L - 0 0 19 1,-0.1 -2,-0.0 -25,-0.1 -25,-0.0 -0.381 66.3-104.4 -78.0 152.1 -6.4 6.4 20.0 69 128 A P > - 0 0 47 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.042 27.0-110.5 -62.2 167.1 -8.2 9.7 20.7 70 129 A P T 3 S+ 0 0 134 0, 0.0 -2,-0.0 0, 0.0 22,-0.0 0.104 122.1 59.5 -77.3 16.3 -6.5 13.0 21.8 71 130 A E T 3 S+ 0 0 148 0, 0.0 2,-0.7 0, 0.0 -3,-0.0 0.279 76.5 99.2-129.2 -0.6 -8.3 12.2 25.0 72 131 A D < - 0 0 37 -3,-0.9 3,-0.3 1,-0.1 4,-0.1 -0.860 51.6-172.0 -89.4 117.1 -6.6 8.8 25.7 73 132 A D >> + 0 0 92 -2,-0.7 4,-1.4 1,-0.2 3,-0.8 0.249 51.3 109.5 -95.3 11.5 -3.8 9.6 28.2 74 133 A S H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.856 73.5 50.8 -61.8 -43.6 -2.2 6.2 28.0 75 134 A Y H 3> S+ 0 0 7 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.711 105.5 59.4 -71.9 -18.2 1.0 7.0 26.2 76 135 A R H <> S+ 0 0 102 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.909 105.5 48.0 -70.6 -43.4 1.6 9.8 28.7 77 136 A E H X S+ 0 0 98 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.949 114.7 45.6 -59.7 -50.0 1.6 7.3 31.6 78 137 A L H <>S+ 0 0 6 -4,-2.0 5,-1.7 1,-0.2 -1,-0.2 0.900 113.4 49.7 -60.3 -43.0 4.0 5.0 29.7 79 138 A Q H ><5S+ 0 0 35 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.874 108.2 52.3 -66.7 -38.9 6.3 7.9 28.7 80 139 A D H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 99.7 64.5 -67.1 -27.8 6.4 9.3 32.3 81 140 A K T 3<5S- 0 0 116 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.272 129.4 -97.4 -80.0 13.1 7.5 5.8 33.4 82 141 A G T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.318 83.0 131.9 94.7 -7.6 10.6 6.4 31.3 83 142 A L < - 0 0 7 -5,-1.7 2,-0.3 -22,-0.1 -1,-0.2 -0.694 55.3-132.0 -81.7 116.9 9.6 4.6 28.1 84 143 A P - 0 0 17 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.541 23.0-162.0 -66.3 124.4 10.3 6.7 25.0 85 144 A V E -d 62 0A 0 -2,-0.3 13,-0.7 -24,-0.2 2,-0.5 -0.936 4.6-167.5-111.4 134.0 7.2 6.7 22.7 86 145 A I E -de 63 98A 1 -24,-3.0 -22,-2.0 -2,-0.4 13,-0.2 -0.947 11.8-141.3-129.9 115.0 7.5 7.7 19.1 87 146 A A E -de 64 99A 0 11,-1.5 13,-2.5 -2,-0.5 2,-0.4 -0.442 16.9-172.7 -74.3 140.4 4.5 8.4 16.8 88 147 A I E - e 0 100A 0 -24,-1.8 2,-2.7 2,-0.3 13,-0.2 -0.994 65.6 -16.5-131.1 140.6 4.6 7.3 13.2 89 148 A D S S+ 0 0 13 11,-2.4 2,-0.6 -2,-0.4 13,-0.3 -0.355 128.2 60.0 67.6 -70.3 2.0 8.2 10.5 90 149 A R S S- 0 0 12 -2,-2.7 -24,-0.5 -26,-0.1 -2,-0.3 -0.823 91.5-128.1 -90.6 119.5 -0.7 9.3 13.0 91 150 A R - 0 0 122 -2,-0.6 2,-0.3 -4,-0.1 42,-0.1 -0.258 16.2-151.4 -64.2 146.0 0.6 12.2 15.1 92 151 A L - 0 0 21 1,-0.1 7,-0.1 -5,-0.1 -1,-0.0 -0.734 55.1 -50.2-106.6 167.6 0.5 12.2 18.9 93 152 A D >> - 0 0 80 -2,-0.3 4,-3.8 1,-0.2 3,-1.0 -0.085 50.7-152.3 -41.8 111.2 0.2 15.3 21.1 94 153 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.686 92.0 63.8 -64.1 -20.0 2.9 17.6 19.7 95 154 A A T 34 S+ 0 0 68 161,-0.1 -2,-0.1 1,-0.1 3,-0.0 0.848 123.6 14.2 -70.9 -34.5 3.2 19.2 23.1 96 155 A H T <4 S+ 0 0 72 -3,-1.0 2,-0.1 159,-0.1 -1,-0.1 0.799 120.6 56.1-105.7 -43.6 4.4 16.0 24.7 97 156 A F < - 0 0 10 -4,-3.8 160,-2.3 159,-0.1 2,-0.5 -0.437 66.5-128.2-102.9 167.6 5.3 13.5 21.9 98 157 A C E -ef 86 257A 3 -13,-0.7 -11,-1.5 158,-0.3 2,-0.3 -0.957 34.0-173.4-114.3 115.4 7.7 13.3 19.0 99 158 A S E -ef 87 258A 0 158,-2.1 160,-3.1 -2,-0.5 2,-0.5 -0.853 21.6-156.1-118.1 145.1 5.9 12.2 15.7 100 159 A V E +ef 88 259A 0 -13,-2.5 -11,-2.4 -2,-0.3 2,-0.3 -0.971 36.1 147.1-116.7 117.8 7.0 11.3 12.2 101 160 A I E - f 0 260A 19 158,-1.8 160,-2.7 -2,-0.5 2,-0.2 -0.836 42.7-102.0-142.5 171.9 4.3 11.9 9.6 102 161 A S E - f 0 261A 7 -13,-0.3 2,-1.8 -2,-0.3 160,-0.2 -0.495 42.2 -99.7 -91.7 167.7 3.6 12.8 6.0 103 162 A D > + 0 0 43 158,-0.8 4,-3.0 1,-0.2 5,-0.3 -0.492 55.2 167.4 -82.1 66.9 2.3 16.2 4.6 104 163 A D H > + 0 0 12 -2,-1.8 4,-2.5 1,-0.2 5,-0.2 0.880 67.8 47.7 -53.4 -49.6 -1.2 14.8 4.4 105 164 A R H > S+ 0 0 120 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 117.6 40.3 -59.7 -51.7 -3.0 18.1 3.8 106 165 A D H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.870 114.5 53.4 -67.6 -37.8 -0.7 19.3 1.1 107 166 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.944 111.6 45.2 -61.7 -47.9 -0.4 15.9 -0.5 108 167 A S H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.933 113.5 50.0 -61.1 -47.5 -4.1 15.6 -0.8 109 168 A R H X S+ 0 0 78 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.950 112.5 46.1 -56.4 -51.7 -4.6 19.1 -2.1 110 169 A Q H X S+ 0 0 96 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.872 114.0 51.3 -60.1 -36.0 -1.9 18.7 -4.7 111 170 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 3,-0.3 0.957 111.7 42.8 -68.1 -53.1 -3.5 15.3 -5.7 112 171 A A H >X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 3,-0.6 0.892 111.3 57.0 -60.8 -39.0 -7.1 16.6 -6.1 113 172 A A H 3X S+ 0 0 39 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.867 100.3 57.8 -60.8 -37.1 -5.9 19.7 -7.9 114 173 A S H 3< S+ 0 0 16 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.801 107.9 47.2 -66.0 -29.0 -4.1 17.5 -10.5 115 174 A L H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.6 -1,-0.2 0.851 106.1 59.2 -76.9 -35.7 -7.4 15.8 -11.3 116 175 A L H >< S+ 0 0 33 -4,-1.7 3,-3.4 1,-0.3 -2,-0.2 0.827 87.4 72.6 -63.2 -36.2 -9.3 19.1 -11.6 117 176 A S T 3< S+ 0 0 113 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.645 90.4 61.9 -58.2 -13.9 -7.1 20.5 -14.4 118 177 A S T < S- 0 0 54 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.495 111.5-123.7 -87.9 -5.6 -8.9 18.0 -16.7 119 178 A A < - 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