==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 25-NOV-06 2NZV . COMPND 2 MOLECULE: CATABOLITE CONTROL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR M.A.SCHUMACHER,W.HILLEN,R.G.BRENNAN . 362 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.1 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 . 1 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 . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 1 0 1 1 0 1 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 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 PARALLEL BRIDGES PER LADDER . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 58 G K 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.0 43.3 32.5 66.7 2 59 G K - 0 0 142 1,-0.1 58,-0.1 58,-0.0 57,-0.0 0.121 360.0-143.3 -65.5-175.2 40.9 35.4 66.2 3 60 G T - 0 0 46 2,-0.1 32,-0.1 32,-0.1 -1,-0.1 0.434 27.5-125.2-133.0 -6.2 39.1 36.3 62.9 4 61 G T S S+ 0 0 53 1,-0.1 31,-4.3 30,-0.1 2,-0.4 0.686 80.2 109.5 64.4 18.4 39.0 40.1 62.8 5 62 G T E -a 35 0A 21 29,-0.3 56,-0.5 54,-0.2 57,-0.3 -0.922 50.9-166.5-132.0 109.3 35.2 39.8 62.4 6 63 G V E -a 36 0A 0 29,-2.3 31,-1.3 -2,-0.4 2,-0.3 -0.700 19.5-131.8 -90.8 143.2 32.8 40.8 65.2 7 64 G G E -ab 37 63A 0 55,-2.7 57,-2.6 -2,-0.3 2,-0.4 -0.672 16.2-163.8 -97.1 151.5 29.2 39.7 64.9 8 65 G V E -ab 38 64A 14 29,-1.7 31,-1.2 -2,-0.3 2,-0.6 -0.997 5.0-163.4-135.3 128.9 26.1 41.8 65.3 9 66 G I E +ab 39 65A 0 55,-1.6 57,-1.9 -2,-0.4 31,-0.2 -0.954 20.1 169.1-114.0 113.6 22.6 40.6 65.9 10 67 G I E -a 40 0A 2 29,-2.1 31,-1.0 -2,-0.6 32,-0.3 -0.794 37.1-127.9-118.3 158.9 20.0 43.2 65.3 11 68 G P S S- 0 0 2 0, 0.0 31,-2.9 0, 0.0 30,-0.7 0.987 85.4 -17.5 -73.9 -53.9 16.2 42.8 65.0 12 69 G D > - 0 0 53 28,-0.2 3,-0.9 29,-0.2 6,-0.3 -0.794 48.4-162.5-156.3 107.0 15.5 44.5 61.7 13 70 G I T 3 S+ 0 0 58 1,-0.3 -1,-0.0 -2,-0.2 6,-0.0 0.399 82.8 82.8 -72.7 4.9 17.8 46.9 59.8 14 71 G S T 3 S+ 0 0 93 5,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.193 77.1 95.6 -89.7 16.8 14.9 48.2 57.6 15 72 G N S <> S- 0 0 57 -3,-0.9 4,-3.2 1,-0.2 5,-0.4 -0.941 77.3-138.4-113.8 125.5 14.3 50.4 60.6 16 73 G I H > S+ 0 0 83 -2,-0.5 4,-3.1 1,-0.2 5,-0.2 0.900 105.1 48.2 -40.8 -55.8 15.6 54.0 60.8 17 74 G F H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.930 116.2 38.6 -54.1 -58.1 16.5 53.4 64.5 18 75 G Y H > S+ 0 0 30 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.853 119.4 47.8 -66.1 -35.9 18.3 50.1 64.2 19 76 G A H X S+ 0 0 37 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.909 107.0 56.3 -70.4 -42.5 20.0 51.0 60.9 20 77 G E H X S+ 0 0 74 -4,-3.1 4,-0.7 -5,-0.4 -1,-0.2 0.837 112.7 43.9 -55.3 -35.6 21.1 54.4 62.4 21 78 G L H >X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 3,-0.7 0.889 106.2 59.2 -76.5 -44.0 22.7 52.3 65.1 22 79 G A H 3X S+ 0 0 29 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.842 103.7 54.8 -54.7 -33.1 24.2 49.8 62.7 23 80 G R H 3X S+ 0 0 104 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.825 104.1 51.4 -71.0 -35.1 26.0 52.7 61.1 24 81 G G H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 3,-1.1 0.951 111.3 48.1 -46.1 -71.4 28.8 50.2 64.7 26 83 G E H 3X S+ 0 0 70 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.882 107.6 53.6 -33.7 -74.5 30.2 49.9 61.2 27 84 G D H 3X S+ 0 0 25 -4,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.783 117.2 37.5 -36.9 -43.7 32.2 53.2 61.2 28 85 G I H S+ 0 0 0 -4,-3.0 5,-2.8 -5,-0.3 -2,-0.2 0.807 112.9 49.8 -60.0 -23.7 34.4 48.5 63.8 30 87 G T H ><5S+ 0 0 77 -4,-2.7 3,-3.7 -5,-0.4 -2,-0.2 0.976 102.0 58.3 -73.2 -57.7 36.0 49.9 60.6 31 88 G M H 3<5S+ 0 0 45 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.668 113.6 40.8 -43.8 -25.6 38.2 52.4 62.4 32 89 G Y T 3<5S- 0 0 58 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 -0.048 117.3-113.7-115.5 28.0 39.7 49.3 64.2 33 90 G K T < 5 + 0 0 156 -3,-3.7 2,-0.4 1,-0.2 -3,-0.2 0.871 65.5 142.7 35.7 65.4 39.8 47.1 61.2 34 91 G Y < - 0 0 17 -5,-2.8 -29,-0.3 -8,-0.2 2,-0.2 -0.992 45.2-135.3-128.5 133.6 37.2 44.5 62.2 35 92 G N E -a 5 0A 106 -31,-4.3 -29,-2.3 -2,-0.4 2,-0.3 -0.599 19.6-143.1 -85.2 153.0 34.7 43.0 59.8 36 93 G I E -a 6 0A 46 -31,-0.2 2,-0.5 -2,-0.2 -29,-0.2 -0.885 8.8-157.8-117.0 151.8 31.1 42.8 60.9 37 94 G I E -a 7 0A 79 -31,-1.3 -29,-1.7 -2,-0.3 2,-0.2 -0.852 20.6-161.5-129.9 93.9 28.7 40.0 60.1 38 95 G L E +a 8 0A 67 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.478 15.2 169.1 -81.1 146.4 25.1 41.4 60.5 39 96 G S E -a 9 0A 37 -31,-1.2 -29,-2.1 -2,-0.2 2,-0.2 -0.956 23.9-134.4-157.5 134.7 22.0 39.3 60.9 40 97 G N E -a 10 0A 56 -2,-0.3 -28,-0.2 -31,-0.2 11,-0.0 -0.511 13.5-175.4 -89.7 159.3 18.4 40.1 61.8 41 98 G S > - 0 0 2 -31,-1.0 3,-1.1 -30,-0.7 6,-0.2 0.421 30.1-137.1-129.2 -9.2 16.2 38.3 64.3 42 99 G D T 3 - 0 0 118 -31,-2.9 -30,-0.1 -32,-0.3 3,-0.1 0.875 67.3 -69.0 49.9 40.0 12.9 40.0 64.0 43 100 G Q T 3 S+ 0 0 69 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.869 91.1 151.8 46.7 47.3 12.6 40.0 67.7 44 101 G N <> - 0 0 66 -3,-1.1 4,-3.0 1,-0.1 5,-0.2 -0.904 39.8-152.7-111.2 102.5 12.2 36.2 67.8 45 102 G Q H > S+ 0 0 77 -2,-0.7 4,-1.5 1,-0.2 -1,-0.1 0.750 96.8 46.8 -43.5 -34.0 13.5 34.9 71.1 46 103 G D H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.973 113.3 44.7 -74.1 -57.7 14.3 31.5 69.4 47 104 G K H > S+ 0 0 117 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.816 111.2 58.5 -55.0 -33.4 16.0 33.0 66.3 48 105 G E H X S+ 0 0 5 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.949 109.3 40.5 -62.0 -53.3 17.9 35.3 68.7 49 106 G L H X S+ 0 0 22 -4,-1.5 4,-1.2 -5,-0.2 3,-0.2 0.933 117.6 50.0 -62.3 -45.4 19.5 32.5 70.7 50 107 G H H >X S+ 0 0 107 -4,-2.8 4,-2.1 1,-0.2 3,-1.0 0.939 106.9 53.1 -58.7 -50.5 20.1 30.5 67.5 51 108 G L H 3X S+ 0 0 15 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.834 105.4 56.9 -52.7 -35.2 21.7 33.4 65.7 52 109 G L H 3X S+ 0 0 8 -4,-1.5 4,-1.8 -3,-0.2 -1,-0.3 0.804 107.5 47.8 -68.0 -32.1 24.0 33.7 68.7 53 110 G N H < S+ 0 0 34 -4,-1.8 3,-1.2 -5,-0.2 4,-0.5 0.953 111.9 52.9 -61.1 -47.3 29.8 32.2 68.0 57 114 G G H 3< S+ 0 0 57 -4,-3.6 2,-1.1 1,-0.3 -2,-0.2 0.932 97.9 61.3 -52.9 -53.1 30.5 29.0 66.2 58 115 G K T 3< S- 0 0 164 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.158 121.1-107.0 -66.5 27.2 31.9 30.7 63.1 59 116 G Q < - 0 0 99 -3,-1.2 2,-0.4 -2,-1.1 -54,-0.2 0.929 48.4-178.7 43.8 98.7 34.5 32.2 65.4 60 117 G V - 0 0 5 -4,-0.5 -54,-0.2 1,-0.1 -1,-0.2 -0.987 31.3-138.5-128.7 123.6 34.0 35.9 66.1 61 118 G D S S- 0 0 21 -56,-0.5 2,-0.3 -2,-0.4 -55,-0.2 0.813 84.3 -10.8 -45.1 -38.4 36.2 38.0 68.2 62 119 G G - 0 0 0 -57,-0.3 -55,-2.7 21,-0.1 2,-0.3 -0.916 60.5-132.1-154.1 179.8 33.1 39.7 69.7 63 120 G I E -bc 7 85A 0 21,-1.6 23,-1.9 -2,-0.3 2,-0.4 -0.996 3.5-157.8-145.8 135.3 29.4 40.2 69.5 64 121 G I E -bc 8 86A 1 -57,-2.6 -55,-1.6 -2,-0.3 2,-0.4 -0.847 22.3-162.6-105.6 147.7 27.1 43.2 69.6 65 122 G F E +bc 9 87A 1 21,-1.5 23,-2.3 -2,-0.4 2,-0.4 -0.986 15.1 179.1-142.0 132.5 23.5 42.5 70.7 66 123 G M + 0 0 5 -57,-1.9 2,-0.3 -2,-0.4 23,-0.1 -0.995 14.9 148.3-132.7 132.2 20.2 44.3 70.4 67 124 G S - 0 0 2 -2,-0.4 24,-0.3 21,-0.3 3,-0.3 -0.982 48.4-131.7-156.6 154.2 16.8 43.2 71.5 68 125 G G S S+ 0 0 7 -2,-0.3 66,-0.7 1,-0.3 2,-0.3 0.720 105.4 28.3 -80.3 -20.2 13.7 44.8 72.8 69 126 G N - 0 0 48 63,-0.2 2,-0.8 64,-0.1 -1,-0.3 -0.837 66.6-160.3-147.0 104.9 13.7 42.2 75.5 70 127 G V - 0 0 13 21,-0.8 2,-0.0 -2,-0.3 -3,-0.0 -0.750 31.6-137.1 -82.2 112.0 16.8 40.5 76.9 71 128 G T > - 0 0 8 -2,-0.8 4,-1.4 1,-0.1 5,-0.2 -0.318 18.1-114.4 -71.9 156.2 15.3 37.4 78.5 72 129 G E H > S+ 0 0 158 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.831 122.8 49.9 -54.8 -31.8 16.4 36.1 81.9 73 130 G E H >> S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.867 96.0 66.1 -75.3 -42.3 17.6 33.1 79.9 74 131 G H H 3> S+ 0 0 4 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.861 100.0 55.3 -47.3 -38.3 19.5 35.2 77.3 75 132 G V H 3< S+ 0 0 12 -4,-1.4 4,-0.3 2,-0.2 -1,-0.3 0.854 104.6 51.8 -66.5 -36.7 21.8 36.1 80.2 76 133 G E H XX S+ 0 0 106 -3,-0.9 3,-1.5 -4,-0.6 4,-1.5 0.995 117.1 38.3 -62.5 -58.3 22.5 32.5 81.0 77 134 G E H 3< S+ 0 0 74 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.825 114.5 53.5 -61.4 -36.2 23.5 31.8 77.4 78 135 G L T 3< S+ 0 0 9 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.407 107.0 53.8 -81.2 4.0 25.3 35.1 76.9 79 136 G K T <4 S+ 0 0 97 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.733 100.8 58.5 -99.5 -37.1 27.3 34.4 80.0 80 137 G K S < S+ 0 0 136 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.271 84.3 124.9 -74.8 9.8 28.4 31.0 78.7 81 138 G S - 0 0 27 1,-0.1 4,-0.1 2,-0.1 -3,-0.1 -0.310 59.3-146.5 -70.8 158.2 29.9 32.9 75.7 82 139 G P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.420 79.0 47.8-101.0 -4.6 33.6 32.5 74.8 83 140 G V S S- 0 0 36 1,-0.0 -21,-0.1 -20,-0.0 -22,-0.1 -0.978 97.5 -75.3-142.3 153.8 34.0 36.1 73.6 84 141 G P - 0 0 37 0, 0.0 -21,-1.6 0, 0.0 2,-0.4 -0.032 45.4-173.4 -44.9 138.3 33.2 39.7 74.7 85 142 G V E -c 63 0A 9 -23,-0.2 2,-0.4 -4,-0.1 -21,-0.2 -0.997 6.9-178.3-140.6 130.4 29.6 40.7 74.3 86 143 G V E -c 64 0A 0 -23,-1.9 -21,-1.5 -2,-0.4 2,-0.3 -0.999 20.6-133.2-133.4 137.1 28.2 44.1 74.8 87 144 G L E -cd 65 99A 0 11,-1.7 13,-2.6 -2,-0.4 2,-0.4 -0.633 15.7-156.2 -88.1 146.2 24.5 45.2 74.5 88 145 G A E S- d 0 100A 0 -23,-2.3 -21,-0.3 -2,-0.3 13,-0.2 -0.987 71.1 -19.5-127.5 126.6 23.3 48.2 72.5 89 146 G A S S+ 0 0 11 11,-2.0 2,-0.3 -2,-0.4 12,-0.1 0.807 116.5 100.0 47.6 31.1 20.1 50.2 73.1 90 147 G S - 0 0 1 10,-0.3 2,-0.3 -25,-0.1 -1,-0.2 -0.989 58.7-154.2-142.7 141.3 18.9 47.0 74.9 91 148 G I - 0 0 27 -2,-0.3 -21,-0.8 -24,-0.3 2,-0.3 -0.897 17.3-175.9-128.5 155.6 18.8 46.4 78.7 92 149 G E > - 0 0 21 -2,-0.3 3,-1.5 5,-0.1 5,-0.2 -0.942 31.3-126.9-148.3 119.5 18.8 43.6 81.3 93 150 G S T 3 S+ 0 0 112 -2,-0.3 -21,-0.0 1,-0.2 -2,-0.0 0.397 97.4 56.5 -42.7 -11.3 18.4 44.2 85.0 94 151 G T T 3 S- 0 0 70 3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.731 82.9-143.0-102.8 -23.2 21.5 42.4 86.3 95 152 G N < + 0 0 86 -3,-1.5 -2,-0.1 1,-0.1 165,-0.1 0.798 55.1 135.0 66.6 29.7 24.4 44.1 84.5 96 153 G Q + 0 0 113 -4,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.753 69.6 49.2 -77.2 -25.5 26.4 40.9 84.2 97 154 G I S S- 0 0 15 -5,-0.2 -5,-0.1 1,-0.1 -11,-0.1 -0.911 98.4-102.2-116.2 141.4 27.0 41.9 80.5 98 155 G P - 0 0 12 0, 0.0 -11,-1.7 0, 0.0 163,-0.2 -0.037 43.2-180.0 -54.1 167.1 28.3 45.2 79.3 99 156 G S E -de 87 261A 15 161,-2.1 163,-1.5 -13,-0.2 2,-0.5 -0.732 24.3-154.8-176.8 123.6 25.8 47.6 77.8 100 157 G V E +de 88 262A 0 -13,-2.6 -11,-2.0 -2,-0.2 -10,-0.3 -0.915 40.9 130.3-105.1 125.2 25.7 51.1 76.3 101 158 G T E - e 0 263A 9 161,-0.7 163,-1.4 -2,-0.5 2,-0.3 -0.634 53.8 -92.7-147.2-159.7 22.3 52.8 76.5 102 159 G I E - e 0 264A 1 161,-0.2 2,-1.8 -2,-0.2 3,-0.2 -0.797 47.3 -95.9-122.1 164.1 20.8 56.2 77.6 103 160 G D > + 0 0 53 161,-0.6 4,-1.9 -2,-0.3 5,-0.2 -0.670 54.4 177.8 -84.9 87.8 19.4 56.9 81.0 104 161 G Y H > + 0 0 10 -2,-1.8 4,-2.6 1,-0.2 5,-0.3 0.958 68.5 49.7 -55.3 -66.8 15.8 56.0 80.0 105 162 G E H > S+ 0 0 39 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.829 112.6 53.2 -47.3 -36.6 13.7 56.4 83.1 106 163 G Q H > S+ 0 0 60 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.953 109.4 44.1 -64.8 -53.1 15.3 59.8 83.6 107 164 G A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.867 110.1 56.4 -61.4 -37.9 14.6 61.2 80.1 108 165 G A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.885 115.0 40.2 -60.6 -38.1 11.0 59.9 80.3 109 166 G F H X S+ 0 0 21 -4,-1.4 4,-3.4 -5,-0.3 5,-0.4 0.981 109.9 56.4 -71.7 -62.6 10.6 61.9 83.5 110 167 G D H X S+ 0 0 66 -4,-3.5 4,-0.5 1,-0.2 -2,-0.2 0.774 112.5 45.3 -39.3 -35.5 12.5 65.0 82.4 111 168 G A H X S+ 0 0 1 -4,-1.9 4,-0.8 -5,-0.2 3,-0.4 0.934 113.7 43.7 -80.0 -49.4 10.1 65.2 79.4 112 169 G V H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.3 3,-1.4 0.935 114.6 53.1 -60.2 -44.9 6.7 64.6 81.2 113 170 G Q H 3X S+ 0 0 38 -4,-3.4 4,-2.1 1,-0.3 -1,-0.3 0.762 99.8 62.5 -60.0 -27.3 8.0 67.0 83.9 114 171 G S H 3X S+ 0 0 23 -4,-0.5 4,-1.1 -5,-0.4 -1,-0.3 0.775 106.4 45.8 -70.1 -25.0 8.7 69.5 81.2 115 172 G L H X S+ 0 0 29 -4,-1.6 3,-2.4 1,-0.2 4,-0.7 0.981 109.9 49.4 -59.1 -51.8 3.9 69.8 84.1 117 174 G D H 3< S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.883 103.0 59.7 -48.9 -47.6 6.1 72.9 84.2 118 175 G S H 3< S- 0 0 57 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.676 129.3-100.7 -58.4 -16.9 4.4 74.1 81.0 119 176 G G H << + 0 0 48 -3,-2.4 2,-0.4 -4,-0.6 -3,-0.2 0.917 62.5 163.9 92.8 68.2 1.3 74.0 83.1 120 177 G H < - 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