==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 13-JUL-10 3NXH . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR YVHJ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR S.VOROBIEV,Y.CHEN,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANTI . 217 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 0 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 72 A X 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.3 38.9 11.1 40.3 2 73 A K - 0 0 154 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.200 360.0-130.1 -55.8 160.0 38.7 14.4 38.3 3 74 A K + 0 0 109 32,-0.1 33,-1.1 31,-0.1 34,-0.2 -0.050 58.4 135.0-110.0 31.4 40.7 17.3 39.8 4 75 A K - 0 0 127 31,-0.1 29,-0.1 1,-0.1 216,-0.1 -0.544 63.5-103.5 -71.3 142.3 37.8 19.8 39.7 5 76 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.257 48.4 172.0 -66.3 158.7 37.6 21.9 42.9 6 77 A F E -A 33 0A 28 27,-2.0 27,-2.8 212,-0.1 2,-0.3 -0.965 24.7-117.1-159.4 170.6 34.8 21.0 45.3 7 78 A S E -A 32 0A 0 -2,-0.3 79,-2.1 25,-0.2 2,-0.4 -0.853 13.7-160.8-117.9 155.4 33.4 21.7 48.8 8 79 A I E -Ab 31 86A 13 23,-2.4 23,-2.2 -2,-0.3 2,-0.6 -0.995 6.0-155.3-133.6 128.6 32.9 19.6 51.9 9 80 A L E -Ab 30 87A 0 77,-2.3 79,-2.8 -2,-0.4 2,-0.6 -0.898 8.3-160.7 -99.5 113.8 30.6 20.5 54.8 10 81 A F E -Ab 29 88A 52 19,-3.6 19,-2.3 -2,-0.6 2,-0.5 -0.849 11.3-172.6 -89.1 118.8 31.6 18.8 58.1 11 82 A X E -Ab 28 89A 4 77,-4.4 79,-2.1 -2,-0.6 2,-0.5 -0.975 8.5-155.5-115.0 128.0 28.7 18.8 60.5 12 83 A G E +Ab 27 90A 14 15,-1.9 14,-3.3 -2,-0.5 15,-1.1 -0.874 18.1 172.5-107.1 121.6 29.1 17.6 64.2 13 84 A I - 0 0 5 77,-3.1 12,-0.1 -2,-0.5 11,-0.1 -0.493 33.1-149.6-110.6 179.4 26.2 16.3 66.1 14 85 A E S S+ 0 0 109 9,-0.3 78,-0.7 10,-0.3 79,-0.3 0.521 86.3 36.0-114.9 -24.3 25.7 14.7 69.4 15 86 A D - 0 0 24 8,-0.3 76,-0.1 9,-0.2 77,-0.1 0.959 42.8-169.2 -95.4 -90.5 22.8 12.6 68.4 16 87 A Y S S+ 0 0 97 7,-0.2 -1,-0.1 74,-0.1 7,-0.0 0.084 99.0 71.7 89.4 -9.4 21.8 10.7 65.2 17 88 A A S S+ 0 0 87 6,-0.1 6,-0.0 0, 0.0 2,-0.0 -0.009 70.5 149.0-120.5 21.6 18.7 10.6 67.4 18 89 A T + 0 0 39 5,-0.2 5,-0.1 1,-0.1 3,-0.1 -0.300 4.4 140.4 -65.7 141.6 17.8 14.3 67.0 19 90 A K + 0 0 83 1,-0.1 -1,-0.1 47,-0.0 4,-0.1 0.409 51.3 32.0-142.2 -70.5 14.1 15.2 67.2 20 91 A G S > S- 0 0 48 1,-0.1 3,-1.4 46,-0.1 4,-0.1 0.246 113.8 -55.2 -79.9-152.4 12.8 18.2 68.9 21 92 A Q T 3 S+ 0 0 103 1,-0.3 3,-0.3 2,-0.1 44,-0.1 0.444 129.9 73.0 -66.7 3.3 14.4 21.6 69.3 22 93 A K T 3 + 0 0 77 1,-0.2 -1,-0.3 43,-0.1 -2,-0.0 0.319 69.4 83.3-107.0 7.8 17.3 19.6 70.9 23 94 A G < + 0 0 0 -3,-1.4 -9,-0.3 39,-0.1 -8,-0.3 0.635 63.6 141.8 -79.8 -15.2 18.8 18.0 67.7 24 95 A R - 0 0 37 -3,-0.3 -10,-0.3 -4,-0.1 -9,-0.2 0.380 53.6-106.6 -39.4 154.7 20.9 20.9 66.7 25 96 A S - 0 0 12 36,-0.3 -12,-0.2 1,-0.1 3,-0.1 -0.456 19.9-164.6 -77.0 151.0 24.4 20.8 65.2 26 97 A D S S+ 0 0 37 -14,-3.3 2,-0.4 1,-0.3 21,-0.4 0.797 73.2 33.9-101.1 -42.9 27.4 21.8 67.3 27 98 A S E -A 12 0A 18 -15,-1.1 -15,-1.9 19,-0.1 2,-0.4 -0.930 53.6-179.5-116.9 134.7 30.1 22.3 64.6 28 99 A L E +AC 11 45A 3 17,-0.5 17,-2.9 -2,-0.4 2,-0.4 -0.872 15.3 166.2-129.1 107.8 29.8 23.5 61.1 29 100 A I E -AC 10 44A 8 -19,-2.3 -19,-3.6 -2,-0.4 2,-0.5 -0.967 16.8-160.9-116.1 132.5 33.1 23.6 59.1 30 101 A V E -AC 9 43A 0 13,-2.3 13,-2.4 -2,-0.4 2,-0.4 -0.924 5.6-171.6-108.3 127.1 33.4 24.0 55.4 31 102 A V E -AC 8 42A 4 -23,-2.2 -23,-2.4 -2,-0.5 2,-0.4 -0.947 7.0-157.6-111.2 137.8 36.6 23.1 53.4 32 103 A T E -AC 7 41A 0 9,-2.1 9,-1.8 -2,-0.4 2,-0.4 -0.956 11.2-161.0-112.5 136.1 37.1 23.9 49.8 33 104 A L E -AC 6 40A 9 -27,-2.8 -27,-2.0 -2,-0.4 7,-0.2 -0.927 21.5-176.6-120.2 141.4 39.6 21.9 47.7 34 105 A D E > > + C 0 39A 23 5,-1.6 5,-2.0 -2,-0.4 3,-1.4 -0.764 12.0 179.7-129.5 82.2 41.3 22.5 44.5 35 106 A P G > 5S+ 0 0 2 0, 0.0 3,-4.0 0, 0.0 -1,-0.2 0.918 75.9 62.2 -50.8 -61.0 43.2 19.2 43.8 36 107 A K G 3 5S+ 0 0 154 -33,-1.1 -32,-0.1 1,-0.3 -33,-0.0 0.730 118.5 31.8 -32.8 -34.7 44.8 20.3 40.5 37 108 A N G < 5S- 0 0 95 -3,-1.4 -1,-0.3 -34,-0.2 3,-0.1 0.179 106.3-123.6-115.3 13.1 46.6 22.9 42.5 38 109 A K T < 5 + 0 0 88 -3,-4.0 2,-0.2 1,-0.2 -2,-0.1 0.881 63.5 143.9 39.8 48.3 46.9 21.1 45.9 39 110 A T E < -C 34 0A 56 -5,-2.0 -5,-1.6 179,-0.1 2,-0.3 -0.726 28.4-179.1-113.5 171.0 45.0 24.0 47.6 40 111 A X E -C 33 0A 21 -2,-0.2 142,-2.5 -7,-0.2 2,-0.3 -0.963 9.0-170.3-164.0 137.5 42.6 24.2 50.4 41 112 A K E -Cd 32 182A 33 -9,-1.8 -9,-2.1 -2,-0.3 2,-0.3 -0.903 13.0-158.4-126.7 163.9 40.6 26.8 52.3 42 113 A X E -Cd 31 183A 0 140,-1.8 142,-3.2 -2,-0.3 2,-0.3 -1.000 6.8-171.9-149.8 143.4 38.6 26.4 55.5 43 114 A L E -C 30 0A 0 -13,-2.4 -13,-2.3 -2,-0.3 2,-0.5 -0.992 11.9-150.1-141.8 141.2 35.8 28.1 57.2 44 115 A S E -C 29 0A 5 140,-0.5 142,-0.5 -2,-0.3 -15,-0.2 -0.929 7.5-157.0-112.1 134.0 34.0 28.0 60.5 45 116 A I E -C 28 0A 1 -17,-2.9 -17,-0.5 -2,-0.5 2,-0.2 -0.961 23.0-128.1-112.9 117.6 30.3 28.9 60.9 46 117 A P > - 0 0 11 0, 0.0 3,-2.9 0, 0.0 15,-0.3 -0.479 18.9-123.5 -66.5 127.5 29.5 29.9 64.4 47 118 A R T 3 S+ 0 0 97 -21,-0.4 14,-0.6 1,-0.3 -22,-0.1 0.706 108.3 50.2 -46.0 -30.2 26.4 27.9 65.7 48 119 A D T 3 S+ 0 0 17 12,-0.2 153,-2.6 2,-0.1 -1,-0.3 0.247 74.7 140.9 -98.7 10.7 24.5 31.0 66.5 49 120 A T B < -f 201 0B 0 -3,-2.9 2,-0.8 151,-0.2 12,-0.7 -0.269 56.8-122.4 -56.4 141.1 25.0 32.7 63.2 50 121 A R E +H 60 0C 79 151,-2.3 2,-0.3 10,-0.2 10,-0.2 -0.807 50.1 152.1 -93.9 110.5 21.8 34.5 62.3 51 122 A V E -H 59 0C 5 8,-2.7 8,-1.5 -2,-0.8 2,-0.6 -0.917 53.8-101.7-132.9 159.3 20.6 33.2 58.9 52 123 A Q - 0 0 144 -2,-0.3 6,-0.1 6,-0.2 2,-0.1 -0.749 47.7-129.1 -71.1 121.4 17.6 32.6 56.8 53 124 A L 0 0 45 -2,-0.6 19,-0.1 4,-0.4 8,-0.1 -0.466 360.0 360.0 -71.4 149.4 17.0 28.8 57.1 54 125 A A 0 0 46 17,-0.4 -1,-0.1 -2,-0.1 18,-0.1 0.985 360.0 360.0 -73.2 360.0 16.7 27.0 53.8 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 131 A S 0 0 150 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 83.4 10.5 33.7 57.4 57 132 A K - 0 0 90 1,-0.0 2,-0.5 -6,-0.0 -4,-0.4 -0.284 360.0-112.2 -81.8-179.5 12.2 34.7 60.6 58 133 A T + 0 0 31 -6,-0.1 2,-0.2 -2,-0.1 -6,-0.2 -0.981 43.8 166.2-122.8 118.4 15.9 34.6 61.0 59 134 A K E -H 51 0C 34 -8,-1.5 -8,-2.7 -2,-0.5 4,-0.1 -0.672 42.1 -77.0-122.0 176.5 17.2 32.1 63.5 60 135 A I E -H 50 0C 50 -10,-0.2 2,-1.9 -2,-0.2 -1,-0.2 -0.251 61.7 -87.0 -59.4 162.7 20.5 30.5 64.3 61 136 A N S S+ 0 0 2 -12,-0.7 -36,-0.3 -14,-0.6 3,-0.2 -0.536 82.6 130.9 -63.8 60.9 21.9 27.7 62.0 62 137 A A > + 0 0 25 -2,-1.9 4,-0.7 1,-0.1 3,-0.4 -0.339 23.7 131.7-105.4 42.1 19.9 25.0 64.0 63 138 A A T 4 + 0 0 0 1,-0.2 5,-0.3 2,-0.2 9,-0.2 0.570 58.9 66.5 -68.0 -14.2 18.7 23.8 60.6 64 139 A Y T >> S+ 0 0 20 3,-0.2 4,-3.6 1,-0.2 3,-1.0 0.924 95.8 56.0 -72.3 -42.6 19.6 20.2 61.5 65 140 A S T 34 S+ 0 0 21 -3,-0.4 2,-0.3 1,-0.3 -2,-0.2 0.808 114.1 38.9 -60.5 -35.9 16.9 20.1 64.2 66 141 A K T 3< S- 0 0 151 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.1 -0.530 143.0 -1.7-114.8 58.6 14.2 21.1 61.7 67 142 A G T <4 S- 0 0 56 -3,-1.0 3,-0.4 -2,-0.3 4,-0.3 0.226 91.1-131.2 148.8 -17.8 15.2 19.1 58.7 68 143 A G >X - 0 0 19 -4,-3.6 4,-1.7 -5,-0.3 3,-1.2 -0.261 66.1 -20.0 75.6-163.5 18.4 17.2 59.5 69 144 A K H 3> S+ 0 0 39 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.844 133.3 56.3 -44.4 -50.2 21.5 17.2 57.3 70 145 A D H 3> S+ 0 0 107 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.808 109.2 47.9 -60.7 -29.6 19.8 18.2 54.0 71 146 A E H <> S+ 0 0 39 -3,-1.2 4,-2.6 -4,-0.3 -17,-0.4 0.899 111.7 48.1 -77.4 -40.3 18.5 21.4 55.7 72 147 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 -9,-0.2 -2,-0.2 0.913 112.9 50.4 -65.5 -42.4 21.8 22.3 57.2 73 148 A V H X S+ 0 0 19 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.935 113.3 42.9 -60.2 -50.2 23.4 21.8 53.8 74 149 A E H X S+ 0 0 93 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.882 113.4 52.3 -67.9 -35.6 20.9 23.9 51.9 75 150 A T H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 112.8 46.4 -58.4 -49.7 21.0 26.6 54.6 76 151 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 6,-0.3 0.924 110.2 51.1 -63.8 -45.9 24.8 26.7 54.3 77 152 A E H X>S+ 0 0 58 -4,-2.7 4,-1.5 1,-0.2 5,-0.7 0.933 113.6 47.5 -49.6 -48.0 24.8 26.7 50.5 78 153 A N H <5S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.6 47.5 -60.9 -40.5 22.4 29.7 50.8 79 154 A F H <5S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.708 122.2 32.2 -75.5 -24.7 24.5 31.4 53.3 80 155 A L H <5S- 0 0 0 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.450 96.8-131.8-114.1 -5.7 27.8 31.0 51.5 81 156 A Q T <5S+ 0 0 83 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.775 71.4 108.2 56.4 29.0 26.5 31.2 47.9 82 157 A I S - 0 0 22 65,-0.5 4,-1.4 -2,-0.4 -77,-0.2 -0.101 35.8 -98.2 -78.8-178.9 28.3 12.0 66.4 92 167 A F H > S+ 0 0 100 -78,-0.7 4,-1.7 2,-0.2 5,-0.1 0.879 125.0 36.8 -70.6 -44.4 30.0 12.4 69.8 93 168 A D H > S+ 0 0 127 -79,-0.3 4,-2.8 2,-0.2 5,-0.2 0.987 115.5 52.1 -68.2 -71.3 31.0 8.8 70.0 94 169 A G H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.789 111.2 51.7 -31.4 -46.1 31.8 8.4 66.3 95 170 A F H X S+ 0 0 45 -4,-1.4 4,-1.9 2,-0.2 5,-0.2 0.987 111.2 43.0 -54.3 -78.2 34.0 11.4 66.6 96 171 A K H X S+ 0 0 14 -4,-1.7 4,-2.1 1,-0.2 3,-0.3 0.854 116.5 53.4 -31.8 -56.3 36.0 10.1 69.6 97 172 A D H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.938 104.3 49.8 -42.6 -69.9 36.1 6.8 67.8 98 173 A V H X S+ 0 0 23 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.825 109.9 54.8 -48.0 -37.5 37.5 8.0 64.5 99 174 A I H X>S+ 0 0 10 -4,-1.9 5,-2.9 -3,-0.3 4,-1.0 0.943 105.7 49.3 -61.5 -52.7 40.2 9.8 66.4 100 175 A N H ><5S+ 0 0 92 -4,-2.1 3,-1.5 -3,-0.4 -2,-0.2 0.975 109.7 59.2 -45.7 -55.7 41.3 6.7 68.2 101 176 A E H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.884 103.8 42.6 -37.5 -75.8 41.4 5.1 64.8 102 177 A V H 3<5S- 0 0 12 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.612 129.5 -93.0 -60.2 -9.8 43.9 7.3 62.9 103 178 A G T <<5 - 0 0 39 -3,-1.5 -3,-0.2 -4,-1.0 -2,-0.2 0.498 56.6 -91.2 116.2 11.2 46.0 7.1 66.1 104 179 A G < - 0 0 3 -5,-2.9 2,-0.3 -6,-0.2 12,-0.1 -0.215 52.5-135.2 68.0-176.3 44.9 10.2 67.9 105 180 A I - 0 0 30 10,-1.0 2,-0.2 8,-0.0 15,-0.1 -0.980 6.3-100.0-172.5 165.0 46.9 13.3 67.2 106 181 A D 0 0 86 -2,-0.3 8,-0.3 8,-0.2 9,-0.1 -0.589 360.0 360.0-103.0 155.6 48.6 16.3 68.8 107 182 A V 0 0 32 6,-2.8 6,-1.6 -2,-0.2 29,-0.0 -0.713 360.0 360.0-139.1 360.0 47.6 19.9 69.1 108 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 109 184 A V 0 0 74 0, 0.0 14,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 143.2 46.7 23.6 73.9 110 185 A P 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.377 360.0 360.0 -96.7 360.0 46.9 26.8 76.0 111 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 112 206 A E 0 0 115 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 -77.2 52.1 21.0 72.5 113 207 A X - 0 0 93 -6,-1.6 -6,-2.8 -8,-0.0 -8,-0.0 -0.978 360.0-109.8-151.6 159.5 50.5 17.6 73.2 114 208 A H - 0 0 100 -2,-0.3 2,-0.3 -8,-0.3 -8,-0.2 -0.117 35.9-162.2 -71.5-180.0 48.8 14.4 72.0 115 209 A L - 0 0 15 -10,-0.1 -10,-1.0 -9,-0.1 2,-0.2 -0.921 13.3-131.3-172.5 143.0 45.2 13.6 72.8 116 210 A N >> - 0 0 50 -2,-0.3 4,-1.4 -12,-0.1 3,-0.9 -0.649 40.2 -98.9 -99.0 153.6 42.6 10.8 73.0 117 211 A G H 3> S+ 0 0 0 1,-0.3 4,-3.5 -21,-0.2 5,-0.3 0.871 127.6 48.8 -29.7 -62.7 39.1 10.7 71.5 118 212 A E H 3> S+ 0 0 163 3,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.878 114.3 46.9 -48.9 -45.9 37.8 11.6 74.9 119 213 A E H X> S+ 0 0 104 -3,-0.9 4,-4.0 2,-0.2 3,-1.4 0.997 118.5 35.2 -62.8 -73.5 40.3 14.4 75.3 120 214 A A H 3< S+ 0 0 6 -4,-1.4 4,-0.4 1,-0.3 -2,-0.2 0.921 117.0 57.4 -46.9 -48.9 40.0 16.2 72.0 121 215 A L H 3< S+ 0 0 34 -4,-3.5 3,-0.3 -5,-0.5 -1,-0.3 0.853 118.1 31.9 -48.8 -38.1 36.3 15.3 72.1 122 216 A A H << S+ 0 0 81 -4,-1.7 -2,-0.3 -3,-1.4 -1,-0.3 0.655 99.6 81.5 -95.5 -20.9 36.1 17.2 75.4 123 217 A Y < 0 0 34 -4,-4.0 -1,-0.2 -5,-0.2 -2,-0.2 0.538 360.0 360.0 -58.4 -4.7 38.8 19.5 74.2 124 218 A A 0 0 40 -4,-0.4 -2,-0.2 -5,-0.3 -3,-0.1 0.314 360.0 360.0-140.9 360.0 35.7 21.0 72.5 125 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 126 228 A D 0 0 52 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.0 31.2 30.3 70.6 127 229 A F + 0 0 71 1,-0.2 4,-0.0 0, 0.0 -83,-0.0 0.366 360.0 59.0 78.4 -6.3 34.3 31.4 68.6 128 230 A G S > S+ 0 0 33 2,-0.1 4,-1.1 3,-0.1 -1,-0.2 0.589 107.5 44.8-106.1 -43.5 36.7 30.0 71.2 129 231 A R H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.908 111.1 59.7 -55.0 -39.0 35.2 26.5 70.9 130 232 A N H > S+ 0 0 10 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.838 100.3 51.2 -63.6 -39.6 35.4 27.3 67.1 131 233 A D H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.835 109.7 50.9 -66.4 -35.0 39.2 27.8 67.1 132 234 A R H X S+ 0 0 90 -4,-1.1 4,-1.6 -3,-0.4 -1,-0.2 0.774 106.5 55.1 -74.7 -28.2 39.8 24.4 68.9 133 235 A Q H X S+ 0 0 19 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.898 109.3 44.6 -72.6 -43.6 37.6 22.5 66.4 134 236 A K H X S+ 0 0 17 -4,-1.6 4,-3.8 1,-0.2 5,-0.2 0.884 109.3 59.6 -66.5 -37.0 39.6 23.7 63.4 135 237 A Q H X S+ 0 0 56 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.927 108.4 44.4 -48.7 -48.5 42.6 22.9 65.5 136 238 A I H X S+ 0 0 18 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.913 115.1 45.3 -68.8 -45.5 41.3 19.4 65.6 137 239 A L H X S+ 0 0 26 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.975 112.5 53.0 -59.9 -55.2 40.4 19.1 61.9 138 240 A N H X S+ 0 0 45 -4,-3.8 4,-1.9 1,-0.2 -2,-0.2 0.823 110.3 48.1 -45.7 -40.8 43.8 20.7 61.1 139 241 A A H X S+ 0 0 8 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.905 110.8 50.3 -70.0 -43.3 45.5 18.0 63.2 140 242 A L H < S+ 0 0 52 -4,-2.5 4,-0.2 2,-0.2 -2,-0.2 0.906 110.0 50.4 -59.9 -41.0 43.5 15.3 61.5 141 243 A I H >< S+ 0 0 38 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.902 114.8 43.1 -65.7 -39.7 44.5 16.7 58.1 142 244 A D H >< S+ 0 0 67 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.760 95.8 78.0 -73.3 -27.9 48.2 16.8 59.1 143 245 A R T 3< S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.603 115.2 17.0 -60.7 -9.4 47.8 13.3 60.7 144 246 A X T < 0 0 70 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 -0.226 360.0 360.0-164.6 72.5 48.0 12.2 57.1 145 247 A S < 0 0 53 -3,-0.9 29,-0.3 29,-0.1 30,-0.2 -0.218 360.0 360.0-123.3 360.0 49.3 14.4 54.4 146 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 147 256 A D 0 0 98 0, 0.0 4,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -28.6 43.4 2.1 53.6 148 257 A K > + 0 0 67 2,-0.1 4,-2.8 3,-0.1 5,-0.2 0.424 360.0 75.9-129.0 -28.5 41.1 0.5 56.2 149 258 A I H > S+ 0 0 76 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.824 100.7 48.9 -48.9 -34.8 41.1 3.5 58.6 150 259 A A H > S+ 0 0 35 2,-0.2 4,-3.6 3,-0.2 5,-0.4 0.988 105.5 51.5 -69.3 -74.8 38.7 4.8 55.9 151 260 A E H > S+ 0 0 108 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.796 120.5 39.1 -24.1 -51.3 36.4 1.8 55.6 152 261 A K H >< S+ 0 0 38 -4,-2.8 3,-0.9 2,-0.2 4,-0.4 0.997 117.7 42.9 -71.2 -72.2 36.1 1.9 59.4 153 262 A A H >< S+ 0 0 15 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.767 114.9 57.2 -42.7 -28.7 35.9 5.7 60.2 154 263 A S H >< S+ 0 0 43 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.894 97.4 54.4 -78.3 -41.3 33.6 6.0 57.2 155 264 A E T << S+ 0 0 166 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.405 103.6 63.8 -75.2 8.2 30.9 3.5 58.3 156 265 A N T < S+ 0 0 60 -3,-0.6 -65,-0.5 -4,-0.4 2,-0.3 0.331 101.2 52.3-105.8 2.5 30.7 5.7 61.4 157 266 A V S < S- 0 0 32 -3,-1.6 2,-0.6 -67,-0.1 -67,-0.2 -0.934 83.3-112.2-137.1 152.1 29.6 8.9 59.8 158 267 A E E +E 89 0A 80 -69,-2.2 -69,-2.9 -2,-0.3 2,-0.3 -0.834 62.5 137.7 -81.4 124.7 26.9 10.1 57.4 159 268 A T E -E 88 0A 38 -2,-0.6 -71,-0.2 -71,-0.2 -2,-0.0 -0.985 54.6-150.1-163.4 161.8 28.8 11.0 54.2 160 269 A N + 0 0 53 -73,-1.0 2,-0.8 -2,-0.3 -72,-0.1 0.074 62.9 117.3-124.7 18.1 28.8 10.8 50.5 161 270 A I - 0 0 42 -74,-0.4 -75,-0.0 -7,-0.1 2,-0.0 -0.829 59.8-143.9 -86.5 112.3 32.5 10.7 50.1 162 271 A R > - 0 0 139 -2,-0.8 4,-2.2 1,-0.1 5,-0.1 -0.256 18.7-110.7 -70.9 165.1 33.2 7.4 48.5 163 272 A I H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.926 115.6 53.3 -62.6 -52.3 36.3 5.3 49.4 164 273 A T H > S+ 0 0 75 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.945 112.1 46.8 -46.3 -54.9 38.0 5.7 46.0 165 274 A E H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 109.7 52.0 -57.7 -47.6 37.7 9.5 46.3 166 275 A G H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.939 115.4 41.9 -56.1 -48.7 38.9 9.6 50.0 167 276 A L H X S+ 0 0 55 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.924 110.8 56.0 -63.2 -47.2 42.1 7.7 49.0 168 277 A A H X S+ 0 0 29 -4,-3.4 4,-2.6 -5,-0.3 -1,-0.2 0.915 109.9 50.3 -49.3 -40.2 42.5 9.6 45.8 169 278 A L H X S+ 0 0 22 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.945 107.1 46.3 -72.3 -48.8 42.5 12.7 48.1 170 279 A Q H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 115.1 53.4 -64.4 -24.7 45.1 11.8 50.7 171 280 A Q H >X S+ 0 0 122 -4,-2.0 3,-1.2 -5,-0.2 4,-0.5 0.959 112.0 40.6 -68.5 -54.0 47.2 10.7 47.7 172 281 A I H 3< S+ 0 0 20 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.931 121.6 45.3 -56.9 -44.4 46.9 14.1 45.9 173 282 A Y T 3< S+ 0 0 9 -4,-3.4 4,-0.4 1,-0.2 -1,-0.2 0.256 83.9 92.3 -91.7 15.8 47.3 16.0 49.2 174 283 A S T <4 S+ 0 0 63 -3,-1.2 3,-0.3 -29,-0.3 2,-0.3 0.950 85.0 59.0 -67.5 -45.5 50.2 14.0 50.6 175 284 A G S < S+ 0 0 33 -4,-0.5 3,-0.0 -3,-0.5 -1,-0.0 -0.660 114.6 5.3 -88.3 137.2 52.6 16.5 49.0 176 285 A F S S+ 0 0 91 -2,-0.3 2,-0.6 1,-0.1 -1,-0.2 0.216 98.6 115.8 86.6 -9.2 52.6 20.2 49.8 177 286 A T + 0 0 16 -4,-0.4 -1,-0.1 -3,-0.3 -138,-0.0 -0.853 25.7 86.5-114.9 115.1 50.0 20.1 52.6 178 287 A S S S+ 0 0 48 -2,-0.6 3,-0.2 -33,-0.1 -36,-0.1 0.169 98.2 2.7-149.7 -79.1 50.2 20.8 56.3 179 288 A K S S+ 0 0 101 1,-0.1 -2,-0.1 -37,-0.1 -41,-0.0 -0.100 103.8 97.0-108.3 34.1 49.7 24.3 57.9 180 289 A K + 0 0 74 2,-0.1 -140,-0.2 -4,-0.1 -1,-0.1 0.598 42.0 126.8-102.6 -13.2 48.9 25.9 54.5 181 290 A I - 0 0 23 -3,-0.2 2,-1.3 1,-0.1 -140,-0.2 -0.175 64.7-125.9 -49.3 125.1 45.1 25.9 54.5 182 291 A D E -d 41 0A 69 -142,-2.5 -140,-1.8 -139,-0.0 2,-0.5 -0.674 31.6-156.4 -70.1 95.5 43.9 29.5 53.8 183 292 A T E -d 42 0A 60 -2,-1.3 -140,-0.2 -142,-0.2 2,-0.2 -0.678 10.4-168.0 -79.9 121.4 41.6 29.7 56.9 184 293 A L - 0 0 19 -142,-3.2 -140,-0.5 -2,-0.5 2,-0.3 -0.541 4.3-148.2-100.7 174.0 38.7 32.3 56.4 185 294 A S - 0 0 59 -2,-0.2 2,-0.7 -142,-0.1 26,-0.1 -0.990 15.6-132.3-143.2 149.3 36.5 33.7 59.0 186 295 A I - 0 0 14 -142,-0.5 2,-0.6 -2,-0.3 -143,-0.0 -0.916 32.0-159.9 -97.4 117.3 32.9 34.9 59.4 187 296 A T + 0 0 67 -2,-0.7 17,-3.4 17,-0.2 21,-0.3 -0.876 27.9 131.0-106.7 121.4 33.1 38.2 61.3 188 297 A G E -G 203 0B 32 -2,-0.6 2,-0.2 15,-0.3 13,-0.0 -0.793 41.8-110.8-147.4-167.0 30.2 39.6 63.1 189 298 A S E -G 202 0B 73 13,-2.1 13,-2.4 -2,-0.2 2,-0.2 -0.681 37.5 -82.4-127.5 174.9 29.0 41.1 66.4 190 299 A D E -G 201 0B 92 -2,-0.2 2,-0.4 11,-0.2 11,-0.2 -0.574 38.6-180.0 -85.1 144.2 26.8 40.1 69.2 191 300 A L E -G 200 0B 48 9,-1.7 9,-2.5 -2,-0.2 2,-0.4 -0.971 7.4-164.7-144.9 127.5 23.1 40.7 69.0 192 301 A Y E -G 199 0B 129 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.953 7.9-167.5-119.0 136.7 20.7 39.8 71.9 193 302 A L E > +G 198 0B 68 5,-2.0 5,-1.0 -2,-0.4 4,-0.3 -0.952 43.2 4.7-131.8 145.9 17.0 39.6 71.3 194 303 A G T 5S- 0 0 53 -2,-0.3 3,-0.5 3,-0.2 0, 0.0 0.190 88.8 -71.5 70.0 168.6 14.0 39.4 73.7 195 304 A P T 5S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.929 128.4 54.8 -56.9 -56.5 13.8 39.6 77.5 196 305 A N T 5S- 0 0 102 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.649 111.3-123.7 -61.8 -15.4 15.4 36.2 78.3 197 306 A N T 5 - 0 0 100 -3,-0.5 2,-0.2 -4,-0.3 -3,-0.2 0.893 30.9-167.3 74.5 42.9 18.4 37.3 76.2 198 307 A T E < - G 0 193B 54 -5,-1.0 -5,-2.0 1,-0.1 2,-0.3 -0.462 22.8-129.2 -58.9 126.7 18.6 34.6 73.5 199 308 A Y E - G 0 192B 66 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.636 28.1-178.7 -92.9 139.4 22.0 35.2 71.9 200 309 A Y E - G 0 191B 53 -9,-2.5 -9,-1.7 -2,-0.3 2,-0.7 -0.984 24.8-135.3-133.0 143.6 22.6 35.5 68.2 201 310 A F E -fG 49 190B 23 -153,-2.6 -151,-2.3 -2,-0.4 -11,-0.2 -0.887 20.5-159.0 -92.7 115.2 25.8 36.0 66.1 202 311 A E E - G 0 189B 60 -13,-2.4 -13,-2.1 -2,-0.7 -153,-0.1 -0.840 15.7-137.5 -99.8 111.6 25.1 38.6 63.5 203 312 A P E - G 0 188B 18 0, 0.0 2,-0.5 0, 0.0 -15,-0.3 -0.387 22.1-106.2 -71.6 143.4 27.6 38.2 60.7 204 313 A D > - 0 0 32 -17,-3.4 4,-2.5 1,-0.2 -17,-0.2 -0.546 24.0-144.4 -69.8 119.1 29.2 41.3 59.2 205 314 A A H > S+ 0 0 83 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.932 95.6 52.7 -47.0 -52.8 27.7 41.8 55.8 206 315 A T H > S+ 0 0 120 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.925 111.3 43.3 -60.0 -50.7 30.8 43.1 54.3 207 316 A N H >> S+ 0 0 37 -20,-0.2 4,-3.3 1,-0.2 3,-1.0 0.934 108.5 59.7 -56.5 -49.8 33.1 40.2 55.4 208 317 A L H 3X S+ 0 0 17 -4,-2.5 4,-2.7 -21,-0.3 -1,-0.2 0.912 105.5 49.7 -42.1 -51.4 30.4 37.7 54.4 209 318 A E H 3X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.763 111.4 48.0 -65.2 -26.8 30.6 39.0 50.8 210 319 A K H S+ 0 0 38 -4,-2.8 5,-2.9 -5,-0.3 4,-0.7 0.935 109.4 45.9 -53.2 -43.7 33.6 31.1 44.8 217 326 A E H <5S+ 0 0 166 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.883 110.8 52.7 -69.5 -33.2 36.9 31.9 43.1 218 327 A H H <5S+ 0 0 17 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.5 44.5 -70.2 -30.8 38.5 28.8 44.7 219 328 A L H <5S- 0 0 15 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.517 112.3-122.1 -86.7 -6.5 35.7 26.5 43.4 220 329 A D T <5 + 0 0 142 -4,-0.7 2,-0.4 -3,-0.4 -3,-0.2 0.970 67.6 142.0 61.3 53.9 35.9 28.2 40.0 221 330 A Y < 0 0 100 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.983 360.0 360.0-139.3 131.1 32.2 29.1 40.5 222 331 A T 0 0 122 -2,-0.4 -9,-0.0 -3,-0.1 -141,-0.0 -0.850 360.0 360.0-101.8 360.0 30.0 32.1 39.8