==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 20-JAN-12 4DE9 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR YWTF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.EBERHARDT,C.N.HOYLAND,D.VOLLMER,S.BISLE,R.M.CLEVERLEY,O.JO . 240 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 0 0 0 1 2 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 1 0 1 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 . 2 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 51 A H 0 0 147 0, 0.0 2,-0.4 0, 0.0 185,-0.2 0.000 360.0 360.0 360.0 89.4 -30.8 6.5 1.9 2 52 A V - 0 0 53 183,-2.4 2,-0.2 185,-0.1 182,-0.0 -0.901 360.0-136.2-110.0 138.1 -31.5 9.9 0.3 3 53 A S - 0 0 103 -2,-0.4 2,-0.2 1,-0.1 5,-0.1 -0.638 20.9-117.3 -90.3 149.7 -32.7 10.4 -3.2 4 54 A L > - 0 0 12 3,-0.3 3,-1.0 -2,-0.2 -1,-0.1 -0.526 21.1-119.0 -82.7 155.4 -31.2 13.0 -5.5 5 55 A A T 3 S+ 0 0 86 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.155 101.0 76.7 -80.7 23.5 -33.3 15.8 -6.9 6 56 A R T 3 S- 0 0 50 1,-0.4 -1,-0.2 2,-0.0 3,-0.2 0.477 98.9-104.2-116.1 -8.5 -32.7 14.6 -10.4 7 57 A G < - 0 0 50 -3,-1.0 -1,-0.4 1,-0.2 -3,-0.3 -0.657 56.0 -42.5 113.2-169.0 -34.9 11.6 -10.9 8 58 A E S S+ 0 0 198 -2,-0.2 2,-0.3 -5,-0.1 -1,-0.2 0.741 120.7 18.7 -74.7 -26.3 -34.4 7.8 -11.0 9 59 A Q S S- 0 0 57 -3,-0.2 89,-0.1 4,-0.1 -1,-0.1 -0.951 98.0 -74.0-141.6 165.1 -31.2 7.9 -13.1 10 60 A S > - 0 0 1 -2,-0.3 3,-1.4 1,-0.2 88,-0.1 -0.295 34.0-135.6 -58.9 136.4 -28.5 10.3 -14.1 11 61 A V T 3 S+ 0 0 107 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.0 0.663 101.1 70.9 -64.9 -15.1 -29.7 12.9 -16.6 12 62 A K T 3 S+ 0 0 76 83,-0.1 2,-0.4 85,-0.1 -1,-0.2 0.730 77.5 92.7 -75.4 -22.3 -26.4 12.2 -18.5 13 63 A R < - 0 0 29 -3,-1.4 4,-0.1 1,-0.2 -4,-0.1 -0.603 55.2-167.4 -79.1 127.7 -27.5 8.7 -19.6 14 64 A I S S+ 0 0 159 -2,-0.4 2,-0.2 2,-0.1 -1,-0.2 0.795 73.2 46.1 -80.9 -32.4 -29.1 8.6 -23.0 15 65 A K S S- 0 0 166 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 -0.659 104.3 -76.4-108.7 166.1 -30.4 5.0 -22.5 16 66 A E - 0 0 172 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.377 48.9-127.9 -61.8 134.1 -32.2 3.2 -19.7 17 67 A F - 0 0 23 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.728 16.8-164.3 -91.5 128.9 -29.8 2.3 -16.9 18 68 A D >> - 0 0 75 -2,-0.4 4,-2.6 1,-0.1 3,-1.7 -0.907 5.5-162.2-113.0 99.4 -29.8 -1.3 -15.6 19 69 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 79,-0.0 0.821 86.6 45.4 -53.0 -39.4 -28.0 -1.2 -12.2 20 70 A G T 34 S+ 0 0 45 1,-0.2 3,-0.0 3,-0.0 -2,-0.0 0.491 124.0 30.7 -87.4 -5.3 -27.2 -4.9 -12.1 21 71 A K T <4 S+ 0 0 158 -3,-1.7 2,-0.2 2,-0.1 -1,-0.2 0.546 104.7 77.5-125.5 -17.4 -26.0 -5.3 -15.7 22 72 A D S < S- 0 0 52 -4,-2.6 2,-0.1 1,-0.1 220,-0.1 -0.645 82.4-104.2-100.1 153.9 -24.4 -1.9 -16.6 23 73 A S - 0 0 15 218,-0.3 2,-0.3 -2,-0.2 23,-0.2 -0.418 50.2-172.1 -63.2 149.8 -21.1 -0.4 -15.8 24 74 A F E -A 45 0A 0 21,-1.5 21,-3.5 -2,-0.1 2,-0.3 -0.959 20.6-130.9-148.5 163.2 -21.6 2.3 -13.2 25 75 A S E -A 44 0A 0 -2,-0.3 74,-2.0 19,-0.2 2,-0.4 -0.883 10.4-161.7-119.5 150.4 -19.9 5.2 -11.2 26 76 A V E -Ab 43 99A 16 17,-2.8 17,-3.1 -2,-0.3 2,-0.6 -0.998 6.7-154.4-130.7 128.5 -19.8 6.0 -7.5 27 77 A L E -Ab 42 100A 0 72,-2.9 74,-3.0 -2,-0.4 2,-0.5 -0.909 10.6-160.2-102.7 123.3 -18.9 9.4 -6.1 28 78 A L E -Ab 41 101A 34 13,-3.6 13,-2.3 -2,-0.6 2,-0.5 -0.918 7.3-170.1-106.6 123.7 -17.5 9.3 -2.6 29 79 A L E -Ab 40 102A 4 72,-3.5 74,-2.7 -2,-0.5 2,-0.5 -0.957 6.5-162.6-117.9 126.0 -17.6 12.6 -0.6 30 80 A G E -Ab 39 103A 19 9,-2.3 8,-2.3 -2,-0.5 9,-1.6 -0.927 11.0-169.4-106.3 128.8 -15.8 13.1 2.7 31 81 A I E Ab 37 104A 15 72,-2.6 74,-0.5 -2,-0.5 6,-0.1 -0.896 360.0 360.0-116.7 144.9 -17.0 16.0 4.9 32 82 A D 0 0 117 4,-0.6 72,-0.1 -2,-0.3 4,-0.1 -0.704 360.0 360.0 -78.4 360.0 -15.4 17.5 8.1 33 ! 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 34 93 A Q 0 0 155 0, 0.0 2,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 172.1 -23.4 23.3 4.4 35 94 A A - 0 0 41 42,-0.1 46,-0.1 1,-0.1 2,-0.1 -0.485 360.0-108.2 -89.5 156.7 -19.8 22.1 4.5 36 95 A R - 0 0 128 -2,-0.2 2,-0.6 41,-0.2 -4,-0.6 -0.409 35.2-113.7 -70.1 155.9 -17.1 21.9 1.8 37 96 A S E +A 31 0A 0 37,-1.4 -6,-0.2 1,-0.1 39,-0.1 -0.870 32.3 178.9 -96.2 121.4 -16.2 18.4 0.6 38 97 A D E S+ 0 0 39 -8,-2.3 2,-0.5 -2,-0.6 21,-0.2 0.662 72.3 47.8 -99.4 -21.6 -12.6 17.6 1.5 39 98 A A E +A 30 0A 21 -9,-1.6 -9,-2.3 35,-0.1 2,-0.3 -0.995 64.4 172.4-115.9 130.4 -12.5 14.1 -0.0 40 99 A N E +A 29 0A 2 -2,-0.5 17,-3.1 -11,-0.2 2,-0.5 -0.731 8.3 163.8-140.6 84.4 -13.8 13.9 -3.6 41 100 A V E -AC 28 56A 6 -13,-2.3 -13,-3.6 -2,-0.3 2,-0.5 -0.912 18.5-164.4-114.0 125.0 -13.3 10.5 -5.2 42 101 A L E -AC 27 55A 1 13,-3.1 13,-2.2 -2,-0.5 2,-0.5 -0.928 7.8-169.0-106.0 127.7 -15.0 9.2 -8.3 43 102 A V E -AC 26 54A 8 -17,-3.1 -17,-2.8 -2,-0.5 2,-0.5 -0.972 4.2-161.8-118.3 126.7 -14.9 5.5 -9.0 44 103 A T E -AC 25 53A 0 9,-2.5 9,-2.1 -2,-0.5 2,-0.6 -0.932 7.5-154.6-109.1 131.0 -16.0 4.0 -12.3 45 104 A F E -AC 24 52A 14 -21,-3.5 -21,-1.5 -2,-0.5 2,-0.8 -0.914 5.2-155.2-110.2 119.6 -16.7 0.3 -12.5 46 105 A N E >> - C 0 51A 7 5,-2.4 5,-1.6 -2,-0.6 4,-1.3 -0.839 10.2-166.4 -91.4 106.7 -16.5 -1.6 -15.7 47 106 A R T 45S+ 0 0 49 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.906 82.3 46.0 -62.8 -49.6 -18.8 -4.6 -15.2 48 107 A K T 45S+ 0 0 150 1,-0.2 -1,-0.2 -27,-0.1 -2,-0.0 0.838 121.3 39.2 -66.2 -32.7 -17.7 -6.8 -18.2 49 108 A E T 45S- 0 0 96 2,-0.1 154,-0.2 155,-0.0 -1,-0.2 0.585 100.6-134.5 -91.1 -12.1 -14.0 -6.2 -17.4 50 109 A K T <5 + 0 0 74 -4,-1.3 153,-2.9 1,-0.2 154,-1.1 0.927 59.7 133.2 55.6 48.5 -14.4 -6.4 -13.7 51 110 A T E < -Cd 46 204A 27 -5,-1.6 -5,-2.4 151,-0.2 2,-0.4 -0.884 43.6-154.0-126.9 156.9 -12.2 -3.3 -13.2 52 111 A A E -Cd 45 205A 4 152,-1.8 154,-2.5 -2,-0.3 2,-0.4 -0.989 1.7-163.3-128.6 142.7 -12.3 -0.1 -11.2 53 112 A K E -Cd 44 206A 43 -9,-2.1 -9,-2.5 -2,-0.4 2,-0.4 -0.996 11.3-156.6-123.7 126.9 -10.7 3.2 -11.9 54 113 A M E -Cd 43 207A 13 152,-3.0 154,-2.5 -2,-0.4 2,-0.4 -0.813 9.8-176.2-103.8 144.0 -10.4 5.8 -9.2 55 114 A L E -Cd 42 208A 1 -13,-2.2 -13,-3.1 -2,-0.4 2,-0.5 -0.996 14.2-151.5-138.8 127.8 -10.1 9.5 -9.7 56 115 A S E -C 41 0A 22 152,-0.6 154,-0.5 -2,-0.4 -15,-0.2 -0.897 14.6-143.6 -97.1 125.8 -9.6 12.2 -7.0 57 116 A I - 0 0 2 -17,-3.1 -17,-0.1 -2,-0.5 152,-0.0 -0.808 28.0-114.6 -87.5 117.0 -11.0 15.6 -8.0 58 117 A P > - 0 0 32 0, 0.0 3,-2.1 0, 0.0 15,-0.3 -0.260 18.6-133.6 -52.9 132.1 -8.6 18.2 -6.6 59 118 A R T 3 S+ 0 0 77 1,-0.3 15,-2.7 -21,-0.2 16,-0.3 0.804 107.0 45.2 -62.0 -27.2 -10.6 20.1 -3.9 60 119 A D T 3 S+ 0 0 23 12,-0.2 163,-2.6 13,-0.2 -1,-0.3 0.295 80.7 143.6 -97.7 8.7 -9.4 23.4 -5.4 61 120 A A B < -f 223 0B 0 -3,-2.1 12,-1.8 161,-0.2 2,-1.0 -0.265 56.2-122.6 -53.0 131.7 -10.0 22.4 -9.0 62 121 A Y E +H 72 0C 59 161,-2.6 163,-0.4 10,-0.2 2,-0.3 -0.686 54.9 146.7 -84.5 99.4 -11.2 25.5 -11.0 63 122 A V E -H 71 0C 8 8,-2.4 8,-2.2 -2,-1.0 2,-0.5 -0.883 54.3 -95.2-135.7 158.7 -14.6 24.4 -12.3 64 123 A N E -H 70 0C 44 -2,-0.3 6,-0.3 6,-0.2 28,-0.1 -0.664 31.9-158.3 -76.1 125.1 -18.0 25.8 -13.2 65 124 A I E >> -H 69 0C 0 4,-2.6 3,-2.9 -2,-0.5 4,-1.0 -0.934 30.7-112.7-100.7 114.2 -20.4 25.3 -10.3 66 125 A P T 34 S+ 0 0 37 0, 0.0 22,-0.1 0, 0.0 21,-0.1 -0.228 100.3 9.3 -50.9 126.1 -23.9 25.5 -11.7 67 126 A G T 34 S+ 0 0 82 1,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.310 128.9 59.8 89.2 -6.5 -25.7 28.6 -10.4 68 127 A H T <4 S- 0 0 95 -3,-2.9 -1,-0.0 1,-0.2 8,-0.0 0.378 93.6-130.8-135.9 -0.5 -22.5 30.0 -8.9 69 128 A G E < -H 65 0C 35 -4,-1.0 -4,-2.6 2,-0.0 -1,-0.2 -0.176 58.3 -17.1 77.2-172.2 -19.9 30.4 -11.7 70 129 A Y E S+H 64 0C 139 -6,-0.3 2,-0.3 -8,-0.1 -6,-0.2 -0.491 82.6 130.0 -71.1 137.8 -16.3 29.2 -11.7 71 130 A D E -H 63 0C 18 -8,-2.2 -8,-2.4 -2,-0.2 2,-0.2 -0.937 61.8 -51.3-170.1 176.4 -15.0 28.4 -8.3 72 131 A K E > -H 62 0C 34 -2,-0.3 3,-2.0 -10,-0.2 4,-0.4 -0.531 47.4-128.6 -68.6 135.6 -13.2 25.7 -6.2 73 132 A F T > S+ 0 0 0 -12,-1.8 3,-2.0 -15,-0.3 4,-0.4 0.852 105.2 66.8 -51.5 -38.1 -14.8 22.3 -6.7 74 133 A T T 3> S+ 0 0 1 -15,-2.7 -37,-1.4 1,-0.3 4,-0.6 0.726 90.8 63.1 -60.8 -23.5 -14.9 21.9 -2.9 75 134 A H H <> S+ 0 0 41 -3,-2.0 4,-2.4 -16,-0.3 -1,-0.3 0.656 81.6 80.2 -77.4 -15.4 -17.4 24.8 -2.6 76 135 A A H <> S+ 0 0 0 -3,-2.0 4,-2.4 -4,-0.4 -1,-0.2 0.938 95.0 45.6 -59.2 -45.8 -20.1 22.9 -4.6 77 136 A H H > S+ 0 0 4 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.847 111.6 54.0 -66.1 -32.4 -21.1 20.8 -1.6 78 137 A A H < S+ 0 0 22 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.899 114.0 40.3 -67.8 -40.5 -21.1 24.0 0.6 79 138 A Y H < S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.858 140.9 0.9 -76.9 -36.9 -23.5 25.9 -1.8 80 139 A G H X S- 0 0 24 -4,-2.4 4,-1.4 1,-0.3 3,-0.5 0.175 89.3-132.0-147.4 21.0 -25.9 23.0 -2.6 81 140 A G H X - 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 -0.080 67.3 -23.7 63.7-155.6 -25.0 19.8 -0.9 82 141 A V H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 134.3 58.4 -63.4 -35.5 -24.7 16.4 -2.5 83 142 A D H > S+ 0 0 50 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.915 109.4 42.8 -62.4 -44.2 -27.1 17.4 -5.4 84 143 A L H X S+ 0 0 17 -4,-1.4 4,-2.6 -3,-0.2 -1,-0.2 0.860 111.8 54.2 -72.3 -34.9 -24.9 20.3 -6.5 85 144 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 109.9 48.2 -64.4 -42.6 -21.7 18.3 -6.1 86 145 A V H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.934 111.7 49.2 -61.3 -47.2 -23.1 15.6 -8.4 87 146 A K H X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.911 110.9 51.5 -56.8 -42.9 -24.2 18.2 -11.0 88 147 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 111.4 46.2 -63.9 -42.6 -20.7 19.8 -10.8 89 148 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.933 111.1 51.4 -64.8 -45.8 -19.0 16.4 -11.4 90 149 A E H X S+ 0 0 13 -4,-2.6 4,-1.3 1,-0.2 5,-0.4 0.859 114.0 44.4 -62.3 -36.2 -21.3 15.4 -14.3 91 150 A E H < S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.920 114.7 48.4 -73.1 -43.8 -20.7 18.7 -16.1 92 151 A M H < S+ 0 0 19 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.919 127.5 24.0 -62.9 -45.6 -16.9 18.7 -15.5 93 152 A L H < S- 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.482 94.5-133.7-103.1 -6.1 -16.4 15.1 -16.7 94 153 A D < + 0 0 73 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.897 68.6 110.0 52.3 46.6 -19.5 14.7 -19.0 95 154 A I S S- 0 0 1 -5,-0.4 2,-0.2 -6,-0.2 -1,-0.2 -0.943 74.3 -93.8-138.9 161.8 -20.3 11.3 -17.5 96 155 A P - 0 0 2 0, 0.0 2,-0.7 0, 0.0 147,-0.0 -0.551 20.7-150.2 -76.1 144.4 -23.1 10.0 -15.3 97 156 A V + 0 0 0 -2,-0.2 -71,-0.1 1,-0.2 3,-0.1 -0.959 20.9 177.5-106.7 105.7 -22.7 9.9 -11.5 98 157 A D + 0 0 5 -2,-0.7 2,-0.3 -73,-0.3 -72,-0.2 0.926 61.3 20.7 -80.1 -45.6 -24.9 6.9 -10.7 99 158 A Y E -b 26 0A 23 -74,-2.0 -72,-2.9 2,-0.0 2,-0.4 -0.926 62.2-163.1-126.4 149.7 -24.4 6.7 -7.0 100 159 A V E -b 27 0A 0 -2,-0.3 86,-1.3 -74,-0.2 2,-0.4 -0.999 0.7-167.6-133.1 137.2 -23.1 9.0 -4.3 101 160 A V E -bE 28 185A 22 -74,-3.0 -72,-3.5 -2,-0.4 2,-0.5 -0.989 4.8-166.9-125.4 124.2 -21.9 8.3 -0.8 102 161 A E E +bE 29 184A 42 82,-3.5 82,-2.9 -2,-0.4 2,-0.3 -0.942 13.0 170.1-115.7 129.3 -21.4 11.0 1.8 103 162 A S E -b 30 0A 22 -74,-2.7 -72,-2.6 -2,-0.5 2,-0.1 -0.993 19.0-149.4-139.9 143.0 -19.4 10.4 5.0 104 163 A N E > -b 31 0A 78 -2,-0.3 4,-1.8 -74,-0.2 -72,-0.2 -0.369 42.3 -89.2 -98.1-175.6 -18.0 12.5 7.9 105 164 A F H > S+ 0 0 49 -74,-0.5 4,-2.6 1,-0.2 5,-0.2 0.915 123.0 52.2 -59.5 -47.9 -15.0 11.8 10.1 106 165 A T H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 108.6 49.0 -59.8 -47.3 -16.8 9.8 12.7 107 166 A A H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 112.5 49.7 -59.6 -44.6 -18.3 7.4 10.2 108 167 A F H X S+ 0 0 39 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 112.7 45.2 -59.1 -50.7 -15.0 6.9 8.6 109 168 A E H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 41,-0.2 0.902 114.2 49.6 -62.8 -41.0 -13.1 6.2 11.9 110 169 A D H X S+ 0 0 87 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.865 109.8 51.3 -67.1 -37.0 -15.9 3.8 13.0 111 170 A V H X S+ 0 0 57 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.951 110.5 48.0 -64.5 -49.2 -15.9 1.9 9.8 112 171 A V H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.916 114.0 47.5 -58.6 -43.1 -12.1 1.4 10.0 113 172 A N H ><5S+ 0 0 69 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.854 107.4 54.9 -69.2 -34.2 -12.4 0.3 13.6 114 173 A E H 3<5S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.4 53.2 -66.7 -28.3 -15.3 -2.1 12.8 115 174 A L T 3<5S- 0 0 40 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.289 121.1-111.7 -85.9 9.5 -13.0 -3.7 10.2 116 175 A N T < 5S- 0 0 136 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.823 73.4 -55.6 59.8 34.1 -10.4 -4.2 12.9 117 176 A G < - 0 0 3 -5,-2.8 2,-0.4 -6,-0.2 32,-0.2 -0.092 62.6 -95.8 91.8 169.9 -8.2 -1.6 11.1 118 177 A V E -I 148 0D 0 30,-2.0 30,-3.0 31,-0.1 2,-0.4 -0.974 30.5-114.5-129.2 146.7 -6.9 -1.2 7.6 119 178 A K E +I 147 0D 121 -2,-0.4 2,-0.4 55,-0.3 28,-0.2 -0.629 37.6 169.1 -83.8 127.6 -3.5 -2.2 6.1 120 179 A V E -I 146 0D 3 26,-2.6 26,-2.4 -2,-0.4 2,-0.9 -0.998 29.9-141.6-136.0 135.0 -1.3 0.7 4.9 121 180 A T E -I 145 0D 52 -2,-0.4 2,-0.3 24,-0.2 24,-0.3 -0.871 23.3-154.7 -96.4 103.7 2.4 0.5 3.9 122 181 A V E +I 144 0D 5 22,-2.2 22,-2.7 -2,-0.9 3,-0.1 -0.622 22.6 167.2 -80.0 136.2 3.9 3.8 5.2 123 182 A K + 0 0 173 -2,-0.3 2,-0.5 20,-0.2 -1,-0.1 0.520 44.4 76.7-128.1 -10.3 6.9 4.9 3.3 124 183 A S > - 0 0 39 1,-0.1 4,-2.1 2,-0.0 -1,-0.1 -0.928 46.4-164.7-123.6 123.8 7.8 8.5 4.2 125 184 A D H > S+ 0 0 83 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.853 99.2 59.7 -64.9 -34.7 9.5 9.9 7.3 126 185 A K H > S+ 0 0 178 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 106.9 44.6 -57.2 -47.0 8.2 13.3 6.0 127 186 A V H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 112.6 52.0 -65.6 -43.0 4.6 12.0 6.2 128 187 A I H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 13,-0.2 0.933 112.0 45.7 -58.0 -48.0 5.2 10.4 9.6 129 188 A Q H X S+ 0 0 88 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.886 111.8 51.6 -65.6 -39.0 6.6 13.7 11.0 130 189 A Q H X S+ 0 0 78 -4,-2.2 4,-3.3 -5,-0.2 -1,-0.2 0.906 110.0 48.8 -66.1 -39.8 3.8 15.8 9.6 131 190 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 8,-0.3 0.890 108.1 54.9 -67.0 -39.0 1.1 13.5 11.1 132 191 A K H <>S+ 0 0 72 -4,-2.1 5,-3.0 -5,-0.2 6,-0.3 0.931 113.4 42.6 -53.6 -47.8 3.0 13.7 14.4 133 192 A K H ><5S+ 0 0 164 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.946 111.7 53.3 -65.2 -50.9 2.7 17.5 14.2 134 193 A D H 3<5S+ 0 0 79 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 119.5 35.1 -49.2 -41.4 -0.9 17.5 12.9 135 194 A T T ><5S- 0 0 21 -4,-2.2 3,-1.8 4,-0.2 -1,-0.3 0.236 108.2-116.5-104.7 12.3 -2.0 15.4 15.9 136 195 A K T < 5S- 0 0 185 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.886 79.7 -52.9 47.7 41.1 0.3 16.8 18.6 137 196 A G T 3 - 0 0 64 -2,-0.3 4,-2.7 -32,-0.2 5,-0.2 -0.232 39.7 -89.9 -78.7 179.5 -6.9 1.9 13.6 150 209 A G H > S+ 0 0 0 -41,-0.2 4,-2.7 1,-0.2 5,-0.2 0.895 126.1 51.5 -62.4 -42.5 -9.5 4.6 12.7 151 210 A E H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 114.4 44.5 -59.0 -44.7 -7.7 7.5 14.5 152 211 A E H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 114.0 48.7 -67.3 -45.4 -4.5 6.7 12.6 153 212 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.880 110.5 51.7 -62.6 -40.9 -6.2 6.2 9.3 154 213 A L H X S+ 0 0 18 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.917 109.8 48.9 -62.3 -45.4 -8.1 9.5 9.7 155 214 A A H >X S+ 0 0 13 -4,-2.0 4,-1.6 -5,-0.2 3,-0.6 0.913 110.5 52.7 -59.2 -42.8 -4.9 11.3 10.5 156 215 A Y H 3< S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.3 44.1 -61.4 -44.2 -3.3 9.7 7.4 157 216 A V H 3< S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.544 115.1 50.8 -80.6 -6.9 -6.0 10.8 5.0 158 217 A R H << S+ 0 0 119 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.715 81.5 106.0 -99.3 -25.3 -6.2 14.3 6.5 159 218 A T < 0 0 4 -4,-1.6 8,-0.1 -5,-0.1 -28,-0.1 -0.257 360.0 360.0 -64.9 141.6 -2.5 15.3 6.4 160 219 A R 0 0 100 -30,-0.1 3,-0.1 3,-0.1 -1,-0.0 -0.970 360.0 360.0-143.9 360.0 -1.5 17.9 3.7 161 ! 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 0.0 162 225 A L 0 0 127 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 130.1 2.0 11.9 -2.5 163 226 A L > - 0 0 112 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.372 360.0-115.7 -76.4 160.6 -1.1 14.1 -2.6 164 227 A R H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 117.7 58.1 -60.6 -41.3 -3.8 13.8 -0.0 165 228 A G H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 104.8 51.2 -55.9 -38.5 -6.2 12.7 -2.7 166 229 A Q H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 108.3 50.4 -71.1 -36.1 -3.9 9.8 -3.4 167 230 A R H X S+ 0 0 17 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.889 109.7 52.6 -63.9 -37.8 -3.8 8.8 0.3 168 231 A Q H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 110.9 45.3 -63.2 -45.3 -7.6 8.9 0.4 169 232 A M H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.2 55.1 -66.6 -37.0 -7.8 6.6 -2.6 170 233 A E H X S+ 0 0 53 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.935 112.5 40.8 -59.2 -48.0 -5.1 4.3 -1.0 171 234 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.874 111.1 57.4 -72.3 -36.0 -7.1 3.9 2.2 172 235 A L H X S+ 0 0 47 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.939 109.7 44.6 -59.7 -45.6 -10.4 3.6 0.3 173 236 A S H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.868 111.4 54.3 -67.2 -33.4 -9.1 0.6 -1.6 174 237 A A H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -55,-0.3 0.867 104.7 53.9 -66.3 -38.7 -7.6 -0.8 1.6 175 238 A I H X S+ 0 0 23 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.925 109.2 48.9 -58.9 -45.7 -11.0 -0.6 3.3 176 239 A I H X S+ 0 0 46 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.929 110.6 50.2 -60.6 -46.2 -12.4 -2.7 0.4 177 240 A D H X S+ 0 0 80 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.889 111.5 48.3 -60.7 -38.8 -9.7 -5.2 0.7 178 241 A K H < S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 105.4 58.0 -72.3 -32.7 -10.2 -5.6 4.4 179 242 A S H < S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 100.2 59.0 -66.2 -31.3 -14.0 -6.0 4.0 180 243 A K H < 0 0 94 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.961 360.0 360.0 -54.9 -52.2 -13.2 -9.0 1.7 181 244 A S < 0 0 123 -4,-1.3 -1,-0.1 -66,-0.0 -3,-0.0 -0.173 360.0 360.0 -48.7 360.0 -11.4 -10.6 4.7 182 ! 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 0.0 183 262 A L 0 0 114 0, 0.0 2,-0.4 0, 0.0 -80,-0.2 0.000 360.0 360.0 360.0 128.9 -23.0 7.9 6.3 184 263 A K E +E 102 0A 54 -82,-2.9 -82,-3.5 -183,-0.1 2,-0.3 -0.973 360.0 165.0-132.1 134.9 -25.6 8.8 3.6 185 264 A M E -E 101 0A 33 -2,-0.4 -183,-2.4 -84,-0.2 -84,-0.2 -0.915 41.2-119.9-145.1 167.2 -26.1 7.5 0.1 186 265 A N S S+ 0 0 25 -86,-1.3 2,-0.3 -2,-0.3 -182,-0.2 0.130 88.9 68.8-103.4 19.9 -28.6 7.4 -2.8 187 266 A L S S- 0 0 11 -87,-0.2 -2,-0.1 -184,-0.1 -185,-0.1 -0.981 88.9-100.8-132.0 149.8 -29.1 3.7 -3.0 188 267 A S > - 0 0 33 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.166 30.0-115.3 -62.1 160.2 -30.8 1.3 -0.5 189 268 A L H > S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.851 118.7 58.4 -64.2 -32.6 -28.6 -0.8 1.8 190 269 A K H > S+ 0 0 170 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 108.9 42.9 -62.4 -42.1 -30.0 -3.8 -0.1 191 270 A D H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.912 112.3 53.8 -70.8 -42.3 -28.7 -2.5 -3.4 192 271 A A H >X S+ 0 0 27 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.955 111.2 45.7 -54.3 -51.7 -25.4 -1.5 -1.8 193 272 A I H >< S+ 0 0 114 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.816 106.9 59.7 -62.0 -32.4 -25.0 -5.1 -0.4 194 273 A G H 3< S+ 0 0 54 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.801 106.5 47.3 -65.0 -29.1 -26.0 -6.5 -3.8 195 274 A L H 4 S+ 0 0 20 -4,-0.4 3,-1.5 1,-0.2 -2,-0.2 0.935 113.0 50.7 -65.2 -45.1 -18.8 -7.5 -7.6 199 278 A I H 3< S+ 0 0 31 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.762 111.7 47.9 -68.1 -24.0 -16.9 -4.7 -5.8 200 279 A T T 3< S+ 0 0 29 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.268 107.7 55.8-101.0 10.8 -14.8 -7.2 -3.8 201 280 A S S < S+ 0 0 54 -3,-1.5 -1,-0.2 -4,-0.1 2,-0.2 -0.138 72.1 149.7-132.5 37.9 -13.9 -9.4 -6.8 202 281 A L - 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0 0 47 2,-0.0 2,-0.5 -5,-0.0 -2,-0.4 -0.996 67.5-132.3-126.9 127.9 -7.4 32.9 -3.9 221 300 A Y + 0 0 71 -2,-0.4 2,-0.3 -5,-0.1 -5,-0.2 -0.668 30.6 168.6 -84.3 125.0 -5.8 29.6 -4.8 222 301 A Y E - G 0 215B 32 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.6 -0.890 32.2-132.1-122.5 161.7 -7.3 27.5 -7.6 223 302 A F E -fG 61 214B 36 -163,-2.6 -161,-2.6 -2,-0.3 2,-0.5 -0.945 23.3-150.4-111.6 106.2 -6.0 24.5 -9.4 224 303 A K E - G 0 213B 61 -11,-2.7 -11,-2.2 -2,-0.6 2,-0.2 -0.683 18.6-125.7 -80.5 128.4 -6.5 25.0 -13.2 225 304 A L E - G 0 212B 13 -2,-0.5 2,-0.4 -163,-0.4 -13,-0.3 -0.505 14.8-117.5 -80.3 135.6 -7.0 21.8 -15.0 226 305 A N > - 0 0 68 -15,-2.9 4,-2.0 -2,-0.2 -15,-0.2 -0.589 26.1-150.8 -65.1 122.0 -4.9 20.8 -18.0 227 306 A Q H > S+ 0 0 111 -2,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.821 89.9 53.8 -76.5 -31.0 -7.5 20.6 -20.7 228 307 A Q H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 113.3 43.7 -66.3 -43.1 -5.8 17.9 -22.8 229 308 A K H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.882 111.8 54.2 -67.3 -37.9 -5.5 15.6 -19.9 230 309 A L H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.919 109.2 47.7 -62.7 -41.9 -9.1 16.4 -18.8 231 310 A Q H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.870 111.9 50.5 -66.3 -37.5 -10.3 15.5 -22.3 232 311 A E H X S+ 0 0 107 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.912 111.6 47.5 -64.5 -46.0 -8.3 12.2 -22.2 233 312 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.918 109.7 53.2 -61.2 -46.2 -9.8 11.4 -18.7 234 313 A K H X S+ 0 0 39 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.910 110.4 47.2 -55.2 -45.8 -13.3 12.1 -19.9 235 314 A K H X S+ 0 0 139 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.896 111.8 50.6 -64.8 -41.3 -12.9 9.8 -22.9 236 315 A E H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 114.6 42.8 -63.1 -46.1 -11.5 7.0 -20.7 237 316 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.878 113.3 52.1 -69.0 -38.6 -14.3 7.3 -18.2 238 317 A Q H X>S+ 0 0 45 -4,-2.6 5,-2.5 -5,-0.3 4,-0.5 0.905 112.2 46.3 -63.8 -39.6 -16.9 7.5 -20.9 239 318 A N H ><5S+ 0 0 130 -4,-2.4 3,-0.7 4,-0.2 -2,-0.2 0.902 110.2 53.7 -68.0 -40.3 -15.5 4.4 -22.6 240 319 A D H 3<5S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.886 111.5 45.0 -61.3 -39.8 -15.4 2.6 -19.2 241 320 A L H 3<5S- 0 0 8 -4,-2.1 -218,-0.3 -5,-0.1 -1,-0.3 0.545 112.6-120.7 -84.0 -6.2 -19.1 3.3 -18.6 242 321 A G T <<5 0 0 68 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.777 360.0 360.0 72.2 26.4 -20.0 2.3 -22.1 243 322 A V < 0 0 89 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.399 360.0 360.0-113.4 360.0 -21.4 5.8 -22.9