==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 30-NOV-05 2F7C . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR CATM; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAYLYI; . AUTHOR T.CLARK,S.HADDAD,O.EZEZIKA,E.NEIDLE,C.MOMANY . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.0 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 0.5 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 . 24 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 21.3 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 0 0 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 1 0 0 0 1 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 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 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 89 A S 0 0 170 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 3.4 36.4 28.1 47.9 2 90 A Q - 0 0 82 28,-0.4 30,-2.9 2,-0.0 2,-0.5 -0.734 360.0-162.2 -89.1 129.6 37.7 27.0 51.4 3 91 A T E -a 32 0A 39 -2,-0.4 2,-0.6 28,-0.2 30,-0.2 -0.943 5.5-162.3-120.7 115.0 41.5 27.2 51.8 4 92 A L E -a 33 0A 0 28,-3.0 30,-2.4 -2,-0.5 2,-0.6 -0.854 9.7-157.5 -96.8 115.3 43.3 25.3 54.7 5 93 A R E -a 34 0A 79 -2,-0.6 48,-2.9 28,-0.2 49,-1.7 -0.848 9.5-168.2-100.1 121.2 46.8 26.6 55.3 6 94 A I E -ab 35 54A 0 28,-3.1 30,-3.4 -2,-0.6 2,-0.3 -0.943 8.8-153.5-119.5 116.0 49.1 24.2 57.0 7 95 A G E +ab 36 55A 0 47,-3.1 49,-3.3 -2,-0.5 2,-0.3 -0.653 24.1 169.3 -82.0 140.9 52.5 25.1 58.5 8 96 A Y E -ab 37 56A 29 28,-2.0 30,-2.7 -2,-0.3 2,-0.3 -0.987 33.1-121.8-148.8 154.0 55.1 22.3 58.7 9 97 A V > - 0 0 26 47,-0.7 3,-1.9 -2,-0.3 4,-0.3 -0.809 35.5-113.8 -97.3 146.5 58.7 21.7 59.4 10 98 A S G > S+ 0 0 15 -2,-0.3 3,-2.2 1,-0.3 4,-0.3 0.792 108.8 61.8 -50.3 -46.4 60.8 20.0 56.7 11 99 A S G > S+ 0 0 9 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.748 90.4 71.4 -55.2 -27.0 61.6 16.7 58.5 12 100 A L G X >S+ 0 0 9 -3,-1.9 3,-1.2 1,-0.3 5,-0.8 0.695 81.6 73.2 -65.8 -17.6 57.9 15.9 58.7 13 101 A L G < 5S+ 0 0 72 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.704 95.4 51.3 -66.4 -20.5 58.0 15.3 54.9 14 102 A Y G < 5S+ 0 0 87 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.367 110.8 55.4 -98.0 2.8 59.8 12.0 55.5 15 103 A G T < 5S- 0 0 29 -3,-1.2 4,-0.3 -4,-0.1 -3,-0.1 0.043 112.6 -63.2-109.0-141.7 57.3 10.8 58.1 16 104 A L T >5S+ 0 0 35 1,-0.2 4,-1.7 2,-0.1 3,-0.2 0.465 102.1 93.8 -95.5 -2.7 53.6 10.3 58.1 17 105 A L H > S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.870 110.7 49.5 -50.9 -39.5 52.2 13.6 53.7 19 107 A E H > S+ 0 0 77 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.825 109.3 51.9 -63.5 -39.6 49.9 10.5 54.2 20 108 A I H X S+ 0 0 6 -4,-1.7 4,-2.2 -3,-0.4 -1,-0.2 0.917 112.8 44.3 -64.5 -45.2 47.8 12.5 56.7 21 109 A I H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.912 112.3 53.0 -66.3 -42.2 47.3 15.3 54.2 22 110 A Y H X S+ 0 0 152 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.917 110.6 46.7 -59.5 -44.8 46.6 12.9 51.4 23 111 A L H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.913 112.0 50.7 -63.0 -44.0 43.9 11.1 53.4 24 112 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 109.6 50.7 -60.1 -43.9 42.4 14.5 54.4 25 113 A R H < S+ 0 0 102 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.866 110.5 49.4 -62.0 -39.0 42.4 15.6 50.7 26 114 A Q H < S+ 0 0 124 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.3 41.9 -64.5 -44.7 40.6 12.3 49.7 27 115 A Q H < S+ 0 0 92 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.738 127.4 32.0 -75.0 -24.4 38.0 12.7 52.4 28 116 A N >< + 0 0 3 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.511 64.3 160.8-134.8 65.9 37.6 16.5 51.8 29 117 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.653 73.1 64.3 -67.2 -15.8 38.2 17.1 48.0 30 118 A E T 3 S+ 0 0 118 -3,-0.1 2,-0.5 2,-0.1 -28,-0.4 0.740 85.3 88.7 -75.0 -25.1 36.4 20.5 48.3 31 119 A I S < S- 0 0 9 -3,-1.6 2,-0.5 -7,-0.2 -28,-0.2 -0.643 71.4-144.5 -84.5 122.3 39.0 21.9 50.6 32 120 A H E -a 3 0A 103 -30,-2.9 -28,-3.0 -2,-0.5 2,-0.4 -0.744 18.7-155.3 -83.2 125.2 42.0 23.6 49.0 33 121 A I E -a 4 0A 6 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.881 11.9-166.7-109.3 133.5 45.2 22.9 51.0 34 122 A E E -a 5 0A 72 -30,-2.4 -28,-3.1 -2,-0.4 2,-0.6 -0.982 11.3-152.3-115.6 116.5 48.3 25.0 51.0 35 123 A L E -a 6 0A 73 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.803 17.9-167.7 -88.5 119.1 51.4 23.4 52.6 36 124 A I E -a 7 0A 54 -30,-3.4 -28,-2.0 -2,-0.6 2,-0.5 -0.941 22.8-127.7-121.1 124.5 53.6 26.2 54.0 37 125 A E E +a 8 0A 113 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.553 49.5 151.2 -68.7 115.1 57.2 25.7 55.2 38 126 A C - 0 0 23 -30,-2.7 18,-0.1 -2,-0.5 -2,-0.1 -0.959 41.4-123.9-158.0 127.6 57.2 27.2 58.7 39 127 A G > - 0 0 20 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.307 33.5-108.6 -71.7 157.8 59.2 26.7 61.9 40 128 A T H > S+ 0 0 17 1,-0.2 4,-0.6 2,-0.2 74,-0.1 0.861 120.1 44.8 -55.4 -41.0 57.4 25.8 65.2 41 129 A K H >> S+ 0 0 79 72,-0.5 3,-1.6 70,-0.3 4,-0.7 0.960 113.3 48.9 -67.9 -52.6 58.2 29.3 66.7 42 130 A D H 3> S+ 0 0 71 1,-0.3 4,-1.7 69,-0.2 -2,-0.2 0.713 101.6 67.0 -59.0 -24.5 57.2 31.2 63.5 43 131 A Q H 3X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.772 89.7 65.1 -66.3 -27.7 54.0 29.1 63.5 44 132 A I H S+ 0 0 10 -4,-1.7 5,-1.8 1,-0.2 6,-1.5 0.899 110.6 43.7 -61.1 -41.5 51.4 32.7 61.8 47 135 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.0 4,-0.2 -2,-0.2 0.896 112.8 51.9 -67.3 -43.7 48.5 31.1 63.6 48 136 A K H 3<5S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.837 112.3 45.8 -61.7 -35.3 47.7 34.2 65.6 49 137 A Q T 3<5S- 0 0 114 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.375 113.4-114.7 -91.3 1.0 47.6 36.4 62.4 50 138 A G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 2,-0.3 -4,-0.1 0.592 82.1 123.4 75.4 11.7 45.4 33.9 60.5 51 139 A K S -D 66 0A 35 3,-0.5 3,-2.6 -2,-0.2 5,-0.0 -0.888 38.5-130.1-159.3 130.7 51.3 30.4 74.2 64 152 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.790 111.4 51.7 -53.7 -30.9 48.0 31.0 75.9 65 153 A A T 3 S+ 0 0 48 122,-0.1 122,-2.7 121,-0.1 2,-0.4 0.532 105.5 69.6 -82.0 -7.6 46.3 31.9 72.6 66 154 A I E < -DE 63 186A 14 -3,-2.6 2,-0.5 120,-0.3 -3,-0.5 -0.928 67.4-149.9-118.6 134.9 47.6 28.6 71.0 67 155 A R E - E 0 185A 91 118,-3.7 118,-2.5 -2,-0.4 2,-0.5 -0.909 13.3-155.4-100.8 125.8 46.6 25.0 71.8 68 156 A R E - E 0 184A 58 -2,-0.5 2,-0.6 116,-0.2 116,-0.2 -0.884 4.7-165.5-101.9 127.4 49.3 22.3 71.3 69 157 A I E - E 0 183A 22 114,-2.9 114,-2.9 -2,-0.5 2,-0.6 -0.948 14.4-145.0-115.9 108.8 48.2 18.8 70.5 70 158 A V E + E 0 182A 44 -2,-0.6 144,-0.3 112,-0.2 112,-0.3 -0.638 24.7 171.4 -82.3 117.8 51.1 16.3 71.0 71 159 A L E + 0 0 4 110,-2.4 142,-2.1 -2,-0.6 2,-0.3 0.888 56.3 1.9 -93.4 -46.8 50.8 13.5 68.5 72 160 A H E - E 0 181A 46 109,-1.6 109,-3.6 140,-0.2 2,-0.8 -1.000 49.5-139.1-154.1 140.9 53.9 11.5 68.7 73 161 A K E - E 0 180A 113 -2,-0.3 2,-0.4 107,-0.2 109,-0.0 -0.894 30.1-163.7-101.3 103.2 57.2 11.2 70.6 74 162 A E E - E 0 179A 20 105,-2.0 105,-3.6 -2,-0.8 2,-0.1 -0.758 15.8-124.6 -94.9 133.5 59.8 10.4 67.9 75 163 A Q E - E 0 178A 93 -2,-0.4 82,-2.1 103,-0.2 2,-0.2 -0.384 24.8-122.0 -77.2 153.1 63.2 9.0 69.1 76 164 A L E -F 156 0B 3 101,-2.0 96,-1.0 80,-0.2 2,-0.3 -0.644 22.2-162.1 -98.8 153.0 66.4 10.7 68.0 77 165 A K E -FG 155 171B 23 78,-3.2 78,-2.6 -2,-0.2 2,-0.7 -0.965 20.1-126.8-132.3 145.6 69.3 9.3 66.1 78 166 A L E -FG 154 170B 0 92,-3.3 92,-2.9 -2,-0.3 2,-0.5 -0.873 25.1-148.8 -93.0 114.6 72.9 10.3 65.6 79 167 A A E +FG 153 169B 0 74,-3.3 74,-1.6 -2,-0.7 2,-0.3 -0.721 28.3 165.3 -80.6 123.7 73.7 10.5 61.9 80 168 A I E - G 0 168B 3 88,-2.7 88,-3.0 -2,-0.5 2,-0.3 -0.948 45.8 -97.1-134.6 158.2 77.3 9.6 61.2 81 169 A H E > - G 0 167B 52 70,-0.4 3,-2.5 -2,-0.3 86,-0.2 -0.615 44.0-119.0 -68.7 135.5 79.4 8.7 58.2 82 170 A K T 3 S+ 0 0 87 84,-2.6 -1,-0.1 -2,-0.3 85,-0.1 0.575 111.3 48.4 -60.6 -13.3 79.6 4.9 58.3 83 171 A H T 3 S+ 0 0 134 83,-0.3 2,-0.6 2,-0.0 -1,-0.3 0.393 84.3 111.8-104.8 4.1 83.4 4.9 58.7 84 172 A H S < S- 0 0 56 -3,-2.5 5,-0.1 1,-0.2 65,-0.0 -0.676 95.8 -20.7 -84.7 118.5 83.5 7.4 61.5 85 173 A H > - 0 0 53 -2,-0.6 4,-2.3 3,-0.1 -1,-0.2 0.945 68.2-176.7 49.5 62.9 84.7 5.9 64.9 86 174 A P T 4 S+ 0 0 98 0, 0.0 5,-0.2 0, 0.0 -2,-0.1 0.840 84.4 32.9 -54.9 -34.6 83.9 2.3 64.1 87 175 A N T 4 S+ 0 0 152 1,-0.1 3,-0.1 3,-0.1 -2,-0.1 0.861 118.6 49.1 -90.2 -42.3 84.9 1.4 67.7 88 176 A Q T 4 S+ 0 0 118 1,-0.2 2,-0.8 2,-0.0 -3,-0.1 0.823 109.1 53.1 -72.8 -33.7 83.9 4.4 69.7 89 177 A F S < S- 0 0 8 -4,-2.3 -1,-0.2 -5,-0.1 2,-0.1 -0.853 79.0-157.4-107.7 99.1 80.4 4.7 68.3 90 178 A A > - 0 0 40 -2,-0.8 3,-1.7 3,-0.5 -3,-0.1 -0.448 23.1-129.2 -72.3 144.8 78.5 1.4 68.7 91 179 A A T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -5,-0.2 3,-0.1 0.758 109.2 67.8 -62.8 -25.0 75.6 0.6 66.4 92 180 A T T 3 S- 0 0 119 1,-0.2 -1,-0.3 78,-0.1 2,-0.2 0.623 119.1 -83.7 -67.7 -19.0 73.7 -0.2 69.7 93 181 A G < - 0 0 5 -3,-1.7 -3,-0.5 79,-0.0 2,-0.3 -0.483 33.8-118.1 134.7 162.7 73.9 3.5 70.6 94 182 A V B -j 172 0C 0 77,-2.5 79,-2.8 -2,-0.2 80,-0.4 -0.905 18.7-128.8-126.2 154.6 75.9 6.4 72.1 95 183 A H > - 0 0 77 -2,-0.3 3,-1.9 77,-0.2 4,-0.5 -0.773 32.2-115.1 -92.9 153.7 75.4 8.7 75.1 96 184 A L G > S+ 0 0 3 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.794 114.4 68.6 -60.4 -27.7 75.7 12.4 74.3 97 185 A S G > S+ 0 0 66 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.769 93.7 58.8 -59.9 -27.2 78.8 12.4 76.6 98 186 A Q G < S+ 0 0 79 -3,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.706 106.9 45.2 -75.2 -21.3 80.6 10.3 73.9 99 187 A I G X S+ 0 0 1 -3,-1.2 3,-1.6 -4,-0.5 -1,-0.2 0.245 73.8 109.6-112.6 15.6 80.1 12.9 71.1 100 188 A I T < S+ 0 0 44 -3,-0.6 31,-3.5 1,-0.3 32,-0.3 0.773 81.7 48.3 -64.2 -28.8 81.0 16.2 72.8 101 189 A D T 3 S+ 0 0 122 -3,-0.2 -1,-0.3 29,-0.2 -2,-0.1 0.200 91.1 103.0 -99.8 17.7 84.3 16.6 70.8 102 190 A E S < S- 0 0 18 -3,-1.6 30,-0.6 30,-0.0 2,-0.4 -0.816 85.2-107.9 -93.3 133.5 82.7 15.8 67.5 103 191 A P E -h 132 0B 54 0, 0.0 49,-2.3 0, 0.0 2,-0.4 -0.525 44.5-152.8 -55.1 119.1 82.0 18.6 65.0 104 192 A M E -hi 133 152B 2 28,-2.7 30,-1.7 -2,-0.4 2,-0.6 -0.847 9.6-146.8-104.3 133.1 78.2 18.8 65.3 105 193 A L E -hi 134 153B 5 47,-3.1 49,-0.5 -2,-0.4 2,-0.3 -0.893 19.3-169.4 -95.4 122.4 75.8 20.0 62.6 106 194 A L E -h 135 0B 4 28,-3.2 30,-3.2 -2,-0.6 10,-0.1 -0.740 16.2-116.3-103.3 160.7 72.7 21.7 63.9 107 195 A Y + 0 0 13 -2,-0.3 12,-0.2 28,-0.2 30,-0.2 -0.970 56.3 19.6-157.9 162.5 69.7 22.7 61.9 108 196 A P - 0 0 37 0, 0.0 2,-0.7 0, 0.0 8,-0.3 0.707 52.2-136.2 -88.2-172.8 67.8 24.6 60.7 109 197 A V + 0 0 86 28,-1.3 2,-0.3 -2,-0.1 3,-0.0 -0.937 61.8 107.8 -96.2 112.7 68.7 28.3 60.3 110 198 A S S S- 0 0 45 -2,-0.7 4,-0.1 -3,-0.0 2,-0.0 -0.960 74.4 -47.8-167.4 175.0 65.6 30.1 61.5 111 199 A Q S S- 0 0 117 -2,-0.3 -70,-0.3 1,-0.1 -69,-0.2 -0.329 79.6 -82.9 -54.8 142.5 64.1 32.2 64.2 112 200 A K S S+ 0 0 84 -71,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.669 102.2 56.3-104.4 158.5 64.7 30.7 67.6 113 201 A P S S+ 0 0 50 0, 0.0 -72,-0.5 0, 0.0 2,-0.2 0.547 83.9 135.2 -65.7 151.9 63.8 28.7 69.6 114 202 A N S > S- 0 0 8 -2,-0.1 4,-1.9 -74,-0.1 5,-0.1 -0.839 72.0 -69.5-153.4-173.7 64.2 26.0 67.0 115 203 A F H > S+ 0 0 14 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.815 127.1 56.6 -60.0 -30.9 65.6 22.5 66.5 116 204 A A H > S+ 0 0 0 -8,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.965 110.1 42.4 -64.2 -53.3 69.2 23.8 66.8 117 205 A T H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.778 113.7 55.5 -63.5 -28.2 68.5 25.3 70.2 118 206 A F H X S+ 0 0 37 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.943 108.9 44.9 -68.1 -48.3 66.6 22.2 71.1 119 207 A I H >X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 3,-0.6 0.924 112.0 53.9 -63.4 -43.1 69.5 19.9 70.3 120 208 A Q H >X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 3,-0.7 0.916 103.9 55.4 -51.0 -49.9 71.9 22.2 72.2 121 209 A S H 3X S+ 0 0 47 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.756 97.4 63.7 -61.5 -27.2 69.7 22.1 75.3 122 210 A L H << S+ 0 0 9 -4,-1.1 4,-0.4 -3,-0.6 -1,-0.2 0.919 109.6 39.9 -62.0 -42.0 70.0 18.3 75.4 123 211 A F H X<>S+ 0 0 1 -4,-1.1 5,-2.7 -3,-0.7 3,-1.5 0.958 115.6 52.6 -67.7 -49.7 73.7 18.6 75.9 124 212 A T H ><5S+ 0 0 101 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.891 103.2 55.4 -53.5 -47.4 73.2 21.6 78.3 125 213 A E T 3<5S+ 0 0 107 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.616 110.3 48.3 -67.9 -9.9 70.7 19.8 80.6 126 214 A L T < 5S- 0 0 84 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.333 120.7-108.3-104.3 2.2 73.3 17.0 81.0 127 215 A G T < 5S+ 0 0 69 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.2 0.715 76.1 136.5 77.7 21.5 76.1 19.5 81.8 128 216 A L < - 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0 0 38 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.917 45.3-147.1-107.1 131.1 51.4 4.0 66.2 211 299 A R - 0 0 194 -2,-0.5 4,-0.1 -3,-0.1 -9,-0.0 -0.883 23.6-124.6 -94.6 120.5 49.2 5.0 69.1 212 300 A P - 0 0 22 0, 0.0 -140,-0.2 0, 0.0 -141,-0.1 -0.353 13.5-127.1 -59.4 145.0 48.8 8.7 69.2 213 301 A L S S+ 0 0 107 -142,-2.1 2,-0.4 -143,-0.1 -142,-0.2 0.780 99.8 58.3 -62.0 -28.3 49.8 10.3 72.5 214 302 A I S S- 0 0 84 -144,-0.3 2,-0.3 -143,-0.2 -145,-0.0 -0.876 85.8-134.4-102.5 134.4 46.3 11.9 72.5 215 303 A E 0 0 136 -2,-0.4 -2,-0.0 1,-0.1 -4,-0.0 -0.710 360.0 360.0 -85.7 140.0 43.1 9.7 72.4 216 304 A S 0 0 139 -2,-0.3 -1,-0.1 -18,-0.1 -17,-0.1 0.959 360.0 360.0 -64.8 360.0 40.4 10.8 69.9