==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 04-APR-07 2UYF . COMPND 2 MOLECULE: REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR R.LONNEBORG,I.SMIROVA,C.DIAN,G.A.LEONARD,S.MCSWEENEY, . 441 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.3 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 . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 5 4 0 0 0 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 0 4 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 0 2 2 2 0 0 2 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 2 0 0 0 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 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 0 158 0, 0.0 2,-0.3 0, 0.0 197,-0.2 0.000 360.0 360.0 360.0 156.7 66.7 8.4 111.6 2 90 A F - 0 0 47 195,-0.2 194,-0.0 196,-0.1 0, 0.0 -0.968 360.0-153.0-150.9 131.6 66.9 5.7 108.9 3 91 A D >> - 0 0 101 -2,-0.3 4,-2.3 1,-0.1 3,-1.0 -0.885 6.7-171.0-110.5 100.8 66.8 1.9 109.2 4 92 A P T 34 S+ 0 0 32 0, 0.0 33,-0.4 0, 0.0 34,-0.2 0.846 84.4 54.6 -56.4 -39.4 68.7 0.2 106.3 5 93 A F T 34 S+ 0 0 129 1,-0.2 30,-0.1 30,-0.2 -2,-0.0 0.670 121.0 29.7 -74.7 -16.7 67.5 -3.4 107.1 6 94 A A T <4 S+ 0 0 61 -3,-1.0 -1,-0.2 30,-0.1 29,-0.1 0.580 89.3 122.6-114.6 -17.3 63.8 -2.4 107.0 7 95 A S < - 0 0 22 -4,-2.3 30,-0.3 1,-0.1 -5,-0.0 -0.144 36.3-174.1 -55.3 143.8 63.8 0.5 104.5 8 96 A T + 0 0 110 30,-0.1 -1,-0.1 2,-0.1 30,-0.1 0.149 40.6 135.6-121.4 7.0 61.6 0.1 101.5 9 97 A R - 0 0 67 29,-0.1 30,-2.4 1,-0.1 2,-0.5 -0.234 50.9-135.8 -63.3 145.6 62.9 3.3 99.8 10 98 A T E -a 39 0A 60 28,-0.2 2,-0.5 30,-0.0 30,-0.2 -0.944 17.6-157.8 -99.3 124.2 63.9 3.6 96.1 11 99 A F E -a 40 0A 0 28,-2.6 30,-2.6 -2,-0.5 2,-0.5 -0.923 3.5-151.4-104.0 131.2 67.2 5.4 95.5 12 100 A N E -a 41 0A 46 -2,-0.5 48,-1.9 28,-0.2 49,-1.3 -0.883 15.0-168.7-107.1 127.3 67.7 6.9 92.1 13 101 A L E -ab 42 61A 0 28,-2.6 30,-2.0 -2,-0.5 2,-0.5 -0.959 14.9-148.3-130.1 121.4 71.3 7.2 91.0 14 102 A A E +ab 43 62A 0 47,-2.8 49,-2.0 -2,-0.5 2,-0.3 -0.770 37.0 141.8 -89.7 128.5 72.9 9.0 88.0 15 103 A M - 0 0 0 28,-2.7 49,-0.1 -2,-0.5 -2,-0.0 -0.971 46.4-108.0-158.6 155.6 76.0 7.3 86.5 16 104 A T > - 0 0 32 47,-0.5 4,-2.8 -2,-0.3 5,-0.2 -0.180 45.9 -94.8 -74.8 174.6 77.7 6.7 83.1 17 105 A D H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 128.3 50.1 -61.3 -38.0 77.8 3.3 81.5 18 106 A I H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.920 110.3 49.8 -63.8 -45.0 81.3 2.7 82.9 19 107 A G H >>S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 5,-0.6 0.928 110.0 52.2 -60.6 -41.1 80.1 3.7 86.4 20 108 A E H X5S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.948 114.1 40.4 -62.1 -48.0 77.1 1.3 86.1 21 109 A M H <5S+ 0 0 5 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.841 123.7 39.5 -75.5 -24.2 79.1 -1.7 85.2 22 110 A Y H <5S+ 0 0 35 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.933 125.2 33.2 -82.4 -49.2 81.9 -0.9 87.6 23 111 A L H X5S+ 0 0 3 -4,-3.2 4,-2.0 -5,-0.3 -3,-0.2 0.872 108.8 61.8 -77.7 -41.1 79.8 0.4 90.6 24 112 A M H X S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.973 115.8 36.3 -57.6 -53.9 77.9 -5.2 90.9 26 114 A P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.838 117.6 54.2 -63.7 -32.7 79.7 -4.6 94.3 27 115 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.982 111.3 43.4 -61.1 -54.2 77.0 -2.2 95.4 28 116 A M H X S+ 0 0 4 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.819 112.5 54.1 -62.0 -33.3 74.2 -4.7 94.8 29 117 A E H X S+ 0 0 97 -4,-1.8 4,-0.5 -5,-0.3 3,-0.2 0.896 110.5 46.0 -64.9 -43.6 76.3 -7.4 96.5 30 118 A A H >X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 3,-0.9 0.906 110.4 54.1 -63.3 -43.7 76.7 -5.2 99.6 31 119 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.715 89.8 75.3 -65.1 -24.9 73.0 -4.3 99.7 32 120 A A H 3< S+ 0 0 55 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.878 114.4 23.0 -54.4 -39.5 71.9 -8.0 99.7 33 121 A Q H << S+ 0 0 130 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.851 128.7 44.7 -93.8 -44.4 72.9 -8.2 103.3 34 122 A R H < S+ 0 0 92 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.765 130.6 9.8 -81.6 -30.9 72.8 -4.5 104.4 35 123 A A >< + 0 0 0 -4,-2.2 3,-0.8 -5,-0.2 -1,-0.2 -0.566 66.2 171.5-148.1 77.4 69.5 -3.3 102.9 36 124 A P T 3 S+ 0 0 27 0, 0.0 -31,-0.1 0, 0.0 -30,-0.1 0.622 76.1 43.0 -70.4 -10.7 67.5 -6.3 101.6 37 125 A H T 3 S+ 0 0 96 -33,-0.4 -32,-0.1 -30,-0.3 -5,-0.1 0.417 86.5 102.2-117.1 -5.7 64.2 -4.4 100.8 38 126 A I < - 0 0 2 -3,-0.8 2,-0.4 -34,-0.2 -28,-0.2 -0.274 61.8-136.4 -72.5 167.3 65.3 -1.1 99.3 39 127 A Q E -a 10 0A 77 -30,-2.4 -28,-2.6 2,-0.0 2,-0.4 -0.961 10.5-153.6-125.1 145.8 65.1 -0.6 95.5 40 128 A I E +ac 11 365A 2 324,-2.2 326,-1.7 -2,-0.4 2,-0.4 -0.963 12.3 178.4-120.0 138.0 67.8 0.9 93.2 41 129 A S E -ac 12 366A 29 -30,-2.6 -28,-2.6 -2,-0.4 2,-0.3 -0.986 9.0-166.4-135.4 143.1 67.2 2.7 90.0 42 130 A T E +a 13 0A 7 324,-2.3 2,-0.3 -2,-0.4 -28,-0.2 -0.883 7.6 178.9-129.2 164.8 69.9 4.3 87.8 43 131 A L E -a 14 0A 36 -30,-2.0 -28,-2.7 -2,-0.3 4,-0.1 -0.963 35.4 -96.2-155.7 162.4 70.1 6.7 84.9 44 132 A R - 0 0 36 -2,-0.3 3,-0.5 -30,-0.2 -28,-0.2 -0.591 30.0-128.7 -82.3 143.9 72.6 8.4 82.7 45 133 A P S S+ 0 0 16 0, 0.0 2,-0.9 0, 0.0 5,-0.4 0.785 106.5 67.3 -65.8 -27.8 73.5 12.0 83.7 46 134 A N S S+ 0 0 99 3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.346 86.4 90.5 -85.0 47.5 72.8 13.1 80.1 47 135 A A S S- 0 0 45 -2,-0.9 -4,-0.0 -3,-0.5 -33,-0.0 -0.977 94.7 -17.3-146.3 135.4 69.1 12.3 80.6 48 136 A G S S- 0 0 71 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.162 108.7 -56.1 56.0-166.9 66.5 14.8 81.8 49 137 A N > - 0 0 89 1,-0.2 4,-2.0 -3,-0.1 5,-0.1 -0.953 54.2-162.2-101.9 113.1 68.1 17.8 83.5 50 138 A L H > S+ 0 0 16 -2,-0.7 4,-1.6 -5,-0.4 5,-0.2 0.895 85.3 53.9 -63.1 -46.6 70.3 16.4 86.3 51 139 A K H >> S+ 0 0 96 1,-0.2 4,-2.9 2,-0.2 3,-0.6 0.952 112.6 43.5 -51.6 -56.9 70.6 19.6 88.3 52 140 A E H 3> S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.848 113.4 51.2 -58.1 -41.8 66.8 20.1 88.5 53 141 A D H 3<>S+ 0 0 44 -4,-2.0 6,-2.9 2,-0.2 5,-1.3 0.721 113.2 45.6 -72.2 -22.4 66.1 16.4 89.2 54 142 A M H X<5S+ 0 0 2 -4,-1.6 3,-1.0 -3,-0.6 -2,-0.2 0.891 110.9 51.5 -84.0 -46.8 68.6 16.5 92.1 55 143 A E H 3<5S+ 0 0 82 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.880 114.6 45.4 -50.6 -40.2 67.3 19.8 93.5 56 144 A S T 3<5S- 0 0 63 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.531 115.1-115.3 -85.4 -10.4 63.8 18.3 93.5 57 145 A G T < 5S+ 0 0 24 -3,-1.0 -3,-0.2 2,-0.3 -4,-0.1 0.510 84.7 117.8 87.1 5.4 64.9 15.0 95.0 58 146 A A S - 0 0 30 1,-0.1 3,-1.8 -3,-0.1 -2,-0.1 0.807 12.1-177.3 48.3 58.3 80.2 16.2 86.3 67 155 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.699 74.3 65.8 -64.6 -20.2 81.8 19.7 86.2 68 156 A E T 3 S+ 0 0 83 1,-0.1 2,-1.3 2,-0.1 3,-0.1 0.649 74.8 95.0 -74.7 -17.6 78.4 21.5 85.9 69 157 A L < + 0 0 5 -3,-1.8 3,-0.1 1,-0.1 -1,-0.1 -0.650 54.8 121.6 -80.0 96.9 77.3 20.4 89.5 70 158 A Q > + 0 0 122 -2,-1.3 3,-2.3 1,-0.4 -1,-0.1 0.378 51.4 38.3-122.8-111.0 78.5 23.5 91.4 71 159 A T T 3 S+ 0 0 139 1,-0.3 -1,-0.4 -3,-0.1 3,-0.1 -0.225 123.0 23.7 -51.6 135.2 76.3 25.9 93.5 72 160 A G T 3 S+ 0 0 29 1,-0.2 119,-4.0 -3,-0.1 2,-0.4 0.208 108.6 98.4 88.4 -13.0 73.7 23.8 95.5 73 161 A F E < -E 190 0A 28 -3,-2.3 2,-0.3 117,-0.3 117,-0.2 -0.888 55.0-156.2-116.3 136.4 75.8 20.6 95.3 74 162 A F E -E 189 0A 93 115,-3.0 115,-2.4 -2,-0.4 2,-0.3 -0.769 18.5-170.4 -94.4 153.0 78.2 18.8 97.6 75 163 A Q E -E 188 0A 95 -2,-0.3 2,-0.4 113,-0.2 113,-0.2 -0.997 13.2-167.0-143.7 153.6 80.9 16.4 96.2 76 164 A R E -E 187 0A 108 111,-2.2 111,-2.9 -2,-0.3 2,-0.1 -0.980 27.8-118.3-143.7 124.7 83.3 13.9 97.5 77 165 A R E +E 186 0A 125 -2,-0.4 109,-0.2 109,-0.2 136,-0.2 -0.324 30.5 173.2 -58.5 128.0 86.2 12.3 95.6 78 166 A L E - 0 0 3 107,-2.7 134,-2.5 1,-0.5 2,-0.3 0.804 57.1 -47.9-101.9 -52.0 85.9 8.5 95.3 79 167 A F E -E 185 0A 9 106,-1.5 106,-3.1 132,-0.2 -1,-0.5 -0.952 52.5 -97.5-167.9 176.6 88.9 7.6 93.0 80 168 A R E -E 184 0A 120 -2,-0.3 2,-0.6 104,-0.2 104,-0.3 -0.891 24.7-129.8-109.2 139.7 90.6 8.4 89.7 81 169 A H E -E 183 0A 20 102,-3.7 102,-2.2 -2,-0.4 2,-0.5 -0.828 22.8-163.0 -78.7 123.2 90.2 6.7 86.3 82 170 A R - 0 0 159 -2,-0.6 77,-2.3 100,-0.2 2,-0.2 -0.944 18.7-124.9-101.6 127.8 93.6 5.8 84.9 83 171 A Y E +H 158 0B 12 -2,-0.5 93,-0.9 97,-0.3 2,-0.2 -0.524 33.3 174.1 -70.8 133.4 93.7 5.0 81.1 84 172 A V E -HI 157 175B 14 73,-2.7 73,-2.0 -2,-0.2 2,-0.5 -0.757 31.9-115.8-124.6 173.9 95.1 1.7 79.9 85 173 A C E -HI 156 174B 0 89,-2.8 89,-2.2 -2,-0.2 2,-0.4 -0.969 33.0-164.0-111.0 132.4 95.3 -0.1 76.5 86 174 A M E +HI 155 173B 0 69,-2.6 69,-2.1 -2,-0.5 2,-0.3 -0.935 19.0 150.2-124.7 144.3 93.3 -3.3 76.2 87 175 A F E - I 0 172B 6 85,-2.2 85,-3.0 -2,-0.4 67,-0.1 -0.948 52.9 -70.2-160.5 164.6 93.5 -6.1 73.7 88 176 A R E > - I 0 171B 66 60,-0.5 3,-1.8 65,-0.4 83,-0.3 -0.387 47.2-116.3 -70.5 149.3 92.9 -9.9 73.6 89 177 A K T 3 S+ 0 0 127 81,-2.2 82,-0.1 1,-0.3 -1,-0.1 0.758 112.2 44.1 -62.2 -28.3 95.4 -12.0 75.5 90 178 A D T 3 S+ 0 0 118 80,-0.3 -1,-0.3 82,-0.0 -2,-0.1 -0.093 78.0 158.9-107.9 35.4 96.8 -13.8 72.5 91 179 A H < - 0 0 18 -3,-1.8 61,-0.1 1,-0.1 -4,-0.0 -0.311 48.2-123.3 -57.8 135.8 97.0 -10.8 70.2 92 180 A P S S- 0 0 89 0, 0.0 -1,-0.1 0, 0.0 60,-0.0 0.747 93.7 -4.0 -59.8 -26.3 99.5 -11.6 67.4 93 181 A S S S+ 0 0 45 59,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.542 91.7 119.8-141.8 -16.5 101.8 -8.6 68.1 94 182 A A - 0 0 14 -6,-0.1 2,-0.3 4,-0.1 -3,-0.1 -0.409 43.3-163.2 -68.9 132.9 100.5 -6.3 70.8 95 183 A K - 0 0 128 -2,-0.1 -1,-0.0 4,-0.1 -2,-0.0 -0.811 15.6-105.0-116.4 157.3 102.9 -6.0 73.8 96 184 A S S S+ 0 0 71 -2,-0.3 2,-0.1 1,-0.3 78,-0.1 -0.994 109.3 32.9-125.4 126.3 102.8 -4.8 77.4 97 185 A P S S- 0 0 101 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.465 101.0-147.3 -76.9 140.8 103.9 -2.2 78.2 98 186 A M - 0 0 9 77,-0.7 2,-0.1 -2,-0.1 -2,-0.1 -0.541 4.3-130.4 -81.5 142.0 103.0 -0.9 74.7 99 187 A S > - 0 0 61 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.463 20.1-119.5 -80.0 157.6 105.1 1.7 72.9 100 188 A L H > S+ 0 0 74 77,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 115.5 58.1 -62.4 -38.7 103.6 4.8 71.3 101 189 A K H > S+ 0 0 142 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.940 109.2 40.9 -52.4 -58.3 105.0 3.4 68.0 102 190 A Q H >> S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 3,-1.0 0.907 112.3 58.3 -58.9 -39.4 103.1 0.1 68.2 103 191 A F H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.899 109.2 43.2 -54.7 -49.9 100.0 2.1 69.5 104 192 A S H 3< S+ 0 0 24 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.518 115.1 51.2 -76.0 -7.4 99.9 4.3 66.4 105 193 A E H << S+ 0 0 102 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.749 97.7 75.7 -98.3 -33.3 100.5 1.3 64.1 106 194 A L S < S- 0 0 22 -4,-2.4 27,-0.8 -5,-0.1 2,-0.4 -0.146 87.6-102.6 -73.6 170.7 97.8 -1.0 65.4 107 195 A E E -j 133 0C 53 45,-0.4 47,-1.9 25,-0.1 2,-0.3 -0.835 38.2-149.4-102.0 143.3 94.1 -0.7 64.6 108 196 A H E -jk 134 154C 0 25,-2.6 28,-1.8 -2,-0.4 27,-1.1 -0.793 20.9-148.4-114.3 147.2 91.6 0.8 67.1 109 197 A V E -j 136 0C 2 45,-2.1 47,-0.5 -2,-0.3 2,-0.3 -0.982 31.3-158.1 -97.7 124.1 88.0 0.7 68.4 110 198 A G E -j 137 0C 7 26,-2.8 28,-2.8 -2,-0.5 2,-0.5 -0.750 10.9-149.9 -98.4 146.1 87.1 4.2 69.6 111 199 A V E -j 138 0C 16 -2,-0.3 11,-0.2 45,-0.2 29,-0.1 -0.972 0.4-161.6-111.6 119.8 84.3 5.1 72.0 112 200 A V - 0 0 67 26,-2.5 4,-0.2 -2,-0.5 28,-0.2 0.930 14.1-178.4 -64.6 -45.7 82.8 8.6 71.5 113 201 A A > - 0 0 2 26,-2.0 3,-1.0 25,-0.2 6,-0.5 0.905 26.9-142.2 40.8 56.9 81.3 8.7 75.0 114 202 A L T 3 S+ 0 0 118 25,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.123 71.7 6.0 -49.6 137.1 79.7 12.2 74.3 115 203 A N T 3 S+ 0 0 128 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.786 107.4 110.2 60.6 35.5 79.7 14.8 77.1 116 204 A T S X S- 0 0 35 -3,-1.0 3,-0.6 -4,-0.2 4,-0.3 -0.836 85.9-106.4-133.3 157.4 81.7 12.5 79.4 117 205 A G G > S+ 0 0 16 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 0.899 123.7 55.0 -50.9 -43.8 85.3 12.7 80.7 118 206 A H G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.725 91.0 73.7 -62.4 -26.2 86.1 9.9 78.2 119 207 A G G < S+ 0 0 27 -3,-0.6 4,-0.4 -6,-0.5 -1,-0.3 0.671 89.1 61.6 -61.8 -16.2 84.7 12.0 75.4 120 208 A E G <> S+ 0 0 113 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.633 80.8 84.3 -84.2 -16.1 87.9 14.2 75.7 121 209 A V H <> S+ 0 0 5 -3,-1.4 4,-2.5 1,-0.2 5,-0.3 0.907 85.8 51.7 -57.9 -51.3 90.4 11.3 74.8 122 210 A D H > S+ 0 0 96 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.922 112.5 46.8 -49.5 -53.7 90.1 11.6 71.0 123 211 A G H > S+ 0 0 20 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.869 112.0 50.6 -57.2 -44.0 90.9 15.4 71.1 124 212 A L H X S+ 0 0 56 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.883 111.7 46.2 -62.8 -43.8 93.8 14.9 73.5 125 213 A L H <>S+ 0 0 2 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.902 114.7 49.3 -64.0 -40.6 95.5 12.2 71.4 126 214 A E H ><5S+ 0 0 83 -4,-2.2 3,-2.6 -5,-0.3 -2,-0.2 0.956 109.1 49.7 -64.5 -52.7 94.9 14.4 68.3 127 215 A R H 3<5S+ 0 0 174 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.728 108.7 55.6 -61.1 -22.3 96.3 17.5 69.8 128 216 A A T 3<5S- 0 0 67 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.328 116.6-115.5 -87.5 5.1 99.4 15.5 70.9 129 217 A G T < 5 + 0 0 67 -3,-2.6 2,-0.9 1,-0.2 -3,-0.2 0.713 64.6 149.4 65.6 22.5 100.0 14.3 67.3 130 218 A I < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.802 35.6-151.3 -91.1 107.5 99.2 10.7 68.2 131 219 A K - 0 0 129 -2,-0.9 2,-0.4 -3,-0.1 -5,-0.0 -0.504 13.4-171.1 -80.0 147.2 97.7 9.2 65.1 132 220 A R - 0 0 39 -2,-0.2 2,-1.2 -27,-0.1 -28,-0.1 -0.987 26.8-133.4-143.6 128.9 95.3 6.3 65.3 133 221 A R E -j 107 0C 108 -27,-0.8 -25,-2.6 -2,-0.4 2,-1.5 -0.750 27.3-154.4 -78.5 97.7 93.8 4.1 62.6 134 222 A M E +j 108 0C 30 -2,-1.2 3,-0.1 1,-0.2 -25,-0.1 -0.627 26.8 164.9 -79.8 85.7 90.1 4.3 63.7 135 223 A R E + 0 0 9 -2,-1.5 134,-2.5 -27,-1.1 2,-0.4 0.872 69.5 18.2 -68.7 -41.6 88.8 1.0 62.3 136 224 A L E -jl 109 269C 0 -28,-1.8 -26,-2.8 132,-0.2 2,-0.4 -1.000 62.5-169.4-135.1 132.2 85.6 1.1 64.4 137 225 A V E +jl 110 270C 36 132,-1.9 134,-2.6 -2,-0.4 -26,-0.2 -0.997 11.3 176.8-118.9 126.6 83.9 4.0 66.3 138 226 A V E -j 111 0C 0 -28,-2.8 -26,-2.5 -2,-0.4 -25,-0.2 -0.899 31.8-131.5-121.3 152.8 81.0 3.1 68.7 139 227 A P S S+ 0 0 19 0, 0.0 -26,-2.0 0, 0.0 -25,-0.4 0.757 84.3 19.5 -79.1 -23.2 79.2 5.7 70.9 140 228 A H S S- 0 0 75 -28,-0.2 3,-0.4 -27,-0.1 -28,-0.1 -0.812 78.9-105.2-141.9 179.6 79.4 3.8 74.1 141 229 A F S > S+ 0 0 2 -2,-0.2 3,-2.0 1,-0.2 4,-0.4 0.534 80.6 100.6 -89.6 -11.6 81.3 1.0 75.9 142 230 A I T 3 S+ 0 0 12 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.808 88.0 39.0 -50.3 -44.4 78.9 -2.0 75.9 143 231 A A T 3> S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.429 87.6 97.5 -90.9 3.6 80.4 -4.0 73.0 144 232 A I H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.917 81.7 49.9 -63.4 -48.3 84.1 -3.3 73.7 145 233 A G H > S+ 0 0 2 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.935 116.3 40.9 -52.3 -58.4 84.9 -6.6 75.6 146 234 A P H > S+ 0 0 6 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.855 114.5 52.9 -58.8 -40.2 83.3 -8.9 72.9 147 235 A I H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 3,-0.4 0.935 111.4 45.6 -62.8 -46.3 84.7 -6.8 70.0 148 236 A L H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -60,-0.5 0.882 109.8 55.4 -67.0 -40.0 88.3 -7.1 71.5 149 237 A H H 3< S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.814 114.1 39.8 -57.5 -32.5 87.9 -10.8 72.1 150 238 A S H 3< S+ 0 0 36 -4,-1.2 2,-0.2 -3,-0.4 -1,-0.2 0.395 118.9 38.4-102.0 -2.6 87.0 -11.4 68.4 151 239 A T S << S- 0 0 11 -3,-0.7 -63,-0.3 -4,-0.6 107,-0.1 -0.742 77.7-113.6-135.3-177.7 89.4 -9.1 66.7 152 240 A D S S+ 0 0 73 -2,-0.2 -45,-0.4 -65,-0.1 -4,-0.1 0.042 74.2 125.4-106.6 18.9 93.0 -7.7 66.7 153 241 A L - 0 0 7 -6,-0.3 -65,-0.4 -47,-0.1 2,-0.3 -0.361 49.1-147.7 -71.3 157.5 91.7 -4.2 67.6 154 242 A I B -k 108 0C 0 -47,-1.9 -45,-2.1 -67,-0.1 2,-0.4 -0.921 9.2-154.0-124.4 157.0 93.0 -2.4 70.6 155 243 A A E -H 86 0B 1 -69,-2.1 -69,-2.6 -2,-0.3 2,-0.6 -0.960 17.3-136.0-133.0 147.9 91.1 0.1 72.8 156 244 A T E +H 85 0B 7 -47,-0.5 -45,-0.2 -2,-0.4 -71,-0.2 -0.940 47.4 154.5-100.0 120.7 91.9 3.0 75.1 157 245 A V E -H 84 0B 0 -73,-2.0 -73,-2.7 -2,-0.6 -2,-0.0 -0.949 48.8 -90.7-151.2 143.9 89.7 2.5 78.2 158 246 A P E >> -H 83 0B 2 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.395 38.0-121.4 -57.8 147.6 89.6 3.3 82.0 159 247 A Q H 3> S+ 0 0 54 -77,-2.3 4,-2.3 1,-0.2 5,-0.2 0.830 114.2 60.7 -58.7 -31.7 91.4 0.7 84.1 160 248 A R H 3> S+ 0 0 34 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.842 104.4 47.9 -67.7 -33.7 88.0 0.2 85.9 161 249 A F H X> S+ 0 0 4 -3,-0.5 4,-0.8 2,-0.2 3,-0.8 0.953 110.9 52.2 -61.7 -49.6 86.4 -0.8 82.6 162 250 A A H >X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.3 3,-1.0 0.860 102.6 58.0 -58.1 -40.4 89.3 -3.2 82.0 163 251 A V H 3< S+ 0 0 83 -4,-2.3 4,-0.4 1,-0.3 -1,-0.3 0.865 106.1 49.0 -63.9 -31.2 89.0 -4.9 85.4 164 252 A R H << S+ 0 0 52 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.695 122.4 34.1 -76.0 -18.0 85.3 -5.8 84.6 165 253 A C H S+ 0 0 58 -4,-2.9 5,-2.9 2,-0.2 4,-0.6 0.929 104.1 27.4 -48.6 -62.8 89.9 -8.9 81.4 167 255 A V H >45S+ 0 0 133 -4,-0.4 3,-0.7 3,-0.2 -1,-0.2 0.933 121.1 53.1 -71.6 -49.3 88.9 -12.3 82.7 168 256 A P H 345S+ 0 0 30 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.913 123.7 27.4 -50.3 -47.3 85.4 -12.5 81.2 169 257 A F H 3<5S- 0 0 16 -4,-2.9 -2,-0.2 228,-0.0 -3,-0.1 0.341 108.7-115.2-103.4 9.2 86.6 -11.7 77.7 170 258 A G T <<5 + 0 0 19 -3,-0.7 -81,-2.2 -4,-0.6 -80,-0.3 0.965 66.4 142.8 58.9 55.9 90.2 -13.1 78.0 171 259 A L E < -I 88 0B 5 -5,-2.9 2,-0.3 -83,-0.3 -83,-0.3 -0.732 36.0-154.1-117.3 166.5 91.8 -9.7 77.5 172 260 A T E -I 87 0B 53 -85,-3.0 -85,-2.2 -2,-0.2 2,-0.3 -0.910 9.5-140.1-134.1 174.2 94.9 -8.1 78.9 173 261 A T E -I 86 0B 33 -2,-0.3 -87,-0.2 -87,-0.2 -14,-0.0 -0.832 6.1-159.9-129.8 163.7 95.9 -4.5 79.4 174 262 A S E -I 85 0B 1 -89,-2.2 -89,-2.8 -2,-0.3 -78,-0.1 -0.978 38.2 -95.8-134.3 148.6 99.0 -2.4 79.1 175 263 A P E -I 84 0B 81 0, 0.0 -77,-0.7 0, 0.0 -91,-0.2 -0.335 56.4-100.3 -54.1 152.7 99.8 0.9 80.7 176 264 A H - 0 0 25 -93,-0.9 4,-0.1 1,-0.1 -76,-0.1 -0.679 21.3-148.8 -89.9 129.5 98.9 3.6 78.1 177 265 A P S S+ 0 0 34 0, 0.0 -77,-0.2 0, 0.0 2,-0.2 0.636 77.3 80.2 -68.7 -16.5 101.9 5.0 76.1 178 266 A A S S- 0 0 13 -79,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.507 90.1-116.2 -86.7 163.0 100.1 8.4 75.8 179 267 A K + 0 0 206 -2,-0.2 -1,-0.1 -55,-0.1 0, 0.0 -0.416 49.0 166.9 -92.6 60.4 100.1 11.0 78.6 180 268 A L - 0 0 21 -2,-1.0 -97,-0.3 -4,-0.1 -4,-0.1 -0.596 37.1-116.6 -77.0 131.6 96.3 10.9 79.1 181 269 A P - 0 0 66 0, 0.0 -98,-0.2 0, 0.0 2,-0.1 -0.306 28.2-109.1 -62.4 148.3 95.2 12.7 82.3 182 270 A D - 0 0 38 -100,-0.1 2,-0.5 -24,-0.0 -100,-0.2 -0.388 31.2-130.3 -66.2 155.3 93.5 10.7 85.1 183 271 A I E - E 0 81A 25 -102,-2.2 -102,-3.7 -2,-0.1 2,-0.2 -0.968 13.6-134.4-117.2 121.0 89.8 11.4 85.5 184 272 A A E - E 0 80A 9 -2,-0.5 2,-0.6 -104,-0.3 -104,-0.2 -0.522 13.4-155.1 -72.0 132.4 88.5 12.1 89.0 185 273 A I E - E 0 79A 15 -106,-3.1 -107,-2.7 -2,-0.2 -106,-1.5 -0.956 19.0-174.9-112.7 115.3 85.3 10.3 89.9 186 274 A N E -DE 64 77A 6 -122,-2.4 -122,-2.0 -2,-0.6 2,-0.5 -0.663 27.8-127.2-108.0 157.2 83.2 12.1 92.5 187 275 A L E -DE 63 76A 0 -111,-2.9 -111,-2.2 -2,-0.2 2,-0.4 -0.926 33.6-165.5 -99.3 128.3 80.1 11.4 94.5 188 276 A F E +DE 62 75A 2 -126,-2.8 -126,-1.9 -2,-0.5 2,-0.3 -0.927 13.8 168.6-122.1 138.3 77.6 14.4 94.2 189 277 A W E - E 0 74A 21 -115,-2.4 -115,-3.0 -2,-0.4 2,-0.3 -0.979 36.8-105.5-143.1 155.9 74.5 15.3 96.2 190 278 A H E > - E 0 73A 23 -130,-0.4 3,-2.3 -2,-0.3 4,-0.3 -0.614 29.3-121.5 -79.5 141.1 72.3 18.3 96.5 191 279 A A G > S+ 0 0 43 -119,-4.0 3,-1.5 1,-0.3 4,-0.4 0.819 110.0 66.8 -48.0 -35.8 72.6 20.5 99.6 192 280 A K G 3 S+ 0 0 121 -120,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.746 107.3 40.2 -58.0 -25.1 68.9 19.9 100.4 193 281 A Y G X S+ 0 0 55 -3,-2.3 3,-1.3 1,-0.1 -1,-0.3 0.293 79.7 109.0-109.5 9.7 69.8 16.3 101.1 194 282 A N T < S+ 0 0 33 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.859 93.4 31.3 -51.6 -36.5 73.1 16.8 102.9 195 283 A R T 3 S+ 0 0 204 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.245 83.1 124.9-115.5 15.1 71.4 15.7 106.1 196 284 A D <> - 0 0 45 -3,-1.3 4,-2.9 1,-0.1 5,-0.2 -0.631 56.7-144.2 -68.2 122.0 68.8 13.3 104.8 197 285 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -195,-0.2 0.797 97.8 50.7 -62.5 -33.5 69.6 10.1 106.8 198 286 A G H > S+ 0 0 1 2,-0.2 4,-2.0 -197,-0.2 5,-0.2 0.934 113.5 44.8 -64.0 -48.7 68.7 7.8 103.9 199 287 A N H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 112.8 51.5 -64.9 -44.9 71.0 9.7 101.6 200 288 A M H X S+ 0 0 74 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.897 108.3 51.5 -56.8 -47.2 73.8 9.9 104.2 201 289 A W H X S+ 0 0 53 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.920 111.2 46.9 -58.0 -46.9 73.7 6.1 104.7 202 290 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.912 111.1 52.2 -62.5 -44.5 73.9 5.4 101.0 203 291 A R H X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.891 108.1 50.9 -55.7 -45.5 76.8 7.9 100.6 204 292 A Q H X S+ 0 0 104 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.850 108.4 52.8 -61.1 -39.5 78.7 6.2 103.4 205 293 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 108.9 48.9 -62.6 -43.7 78.2 2.8 101.7 206 294 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.5 0.908 113.4 47.9 -60.5 -43.5 79.7 4.3 98.5 207 295 A V H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.941 112.8 48.4 -63.7 -45.9 82.6 5.6 100.5 208 296 A E H < S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.2 38.3 -61.4 -41.5 83.1 2.3 102.2 209 297 A L H < S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.849 133.9 13.4 -79.6 -33.0 83.0 0.3 99.0 210 298 A F H < S+ 0 0 6 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.554 82.0 115.1-127.7 -17.8 84.9 2.6 96.6 211 299 A S < - 0 0 30 -4,-2.0 3,-0.3 -5,-0.5 -132,-0.2 -0.448 40.4-164.7 -66.0 133.5 86.8 5.4 98.2 212 300 A E + 0 0 91 -134,-2.5 3,-0.4 1,-0.2 -1,-0.1 0.112 47.1 128.7 -98.4 20.9 90.6 5.0 97.6 213 301 A A S S+ 0 0 77 1,-0.2 2,-0.2 2,-0.2 -1,-0.2 0.859 82.7 26.1 -50.2 -43.7 91.4 7.6 100.3 214 302 A H 0 0 183 -3,-0.3 -1,-0.2 1,-0.1 -3,-0.0 -0.711 360.0 360.0-148.9 104.5 93.9 5.2 101.9 215 303 A H 0 0 118 -3,-0.4 -2,-0.2 -2,-0.2 -3,-0.1 -0.382 360.0 360.0 67.3 360.0 94.8 3.2 99.5 216 !* 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 0.0 217 76 B A > 0 0 142 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -43.6 58.6 9.8 43.0 218 77 B L T > + 0 0 94 1,-0.2 3,-1.2 2,-0.1 4,-0.4 0.862 360.0 55.6 -68.6 -40.7 60.3 12.3 40.6 219 78 B N T 3> S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.488 83.2 87.1 -73.9 -3.4 63.8 12.0 41.9 220 79 B T H <> S+ 0 0 68 -3,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.678 89.1 51.8 -69.1 -18.3 63.7 8.1 41.3 221 80 B L H <> S+ 0 0 70 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.849 110.4 44.9 -82.7 -42.3 64.9 8.9 37.7 222 81 B Q H > S+ 0 0 68 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.717 111.1 56.8 -71.4 -24.3 67.9 11.1 38.8 223 82 B T H < S+ 0 0 52 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.908 114.1 37.6 -69.3 -44.8 68.7 8.3 41.4 224 83 B A H < S+ 0 0 85 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.883 115.8 53.3 -72.9 -40.8 68.9 5.7 38.6 225 84 B L H < S+ 0 0 86 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.807 86.0 95.9 -68.5 -34.9 70.6 8.0 36.0 226 85 B T S < S- 0 0 65 -4,-1.4 2,-0.3 -5,-0.1 -3,-0.0 -0.278 87.8-105.1 -58.3 140.2 73.5 9.1 38.3 227 86 B T - 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