==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 17-FEB-96 1LBI . COMPND 2 MOLECULE: LAC REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.LEWIS,G.CHANG,N.C.HORTON,M.A.KERCHER,H.C.PACE,P.LU . 1184 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 895 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.9 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 . 4 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 . 113 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.5 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 2 2 0 1 6 6 5 3 6 3 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 2 11 11 2 3 1 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 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 2 1 0 0 1 0 0 1 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 62 A L 0 0 131 0, 0.0 31,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 21.1 32.2 21.1 62.1 2 63 A L E -a 32 0A 24 29,-0.2 57,-2.0 2,-0.0 58,-1.3 -0.864 360.0-160.5-136.9 93.2 29.5 18.7 63.4 3 64 A I E -ab 33 60A 1 29,-2.8 31,-1.7 -2,-0.4 2,-0.4 -0.608 11.3-153.8 -70.4 136.8 26.0 19.4 62.3 4 65 A G E -ab 34 61A 0 56,-1.9 58,-1.9 -2,-0.3 2,-0.4 -0.945 10.7-158.2-110.6 136.3 23.7 17.7 64.8 5 66 A V E -ab 35 62A 2 29,-2.7 31,-2.1 -2,-0.4 2,-0.7 -0.979 15.3-160.8-124.3 126.5 20.3 16.8 63.2 6 67 A A E +ab 36 63A 0 56,-3.0 58,-2.4 -2,-0.4 2,-0.3 -0.951 31.8 169.5-102.4 114.0 17.0 16.1 65.1 7 68 A T E -ab 37 64A 5 29,-2.0 31,-3.1 -2,-0.7 58,-0.2 -0.912 36.4 -91.6-127.8 154.0 15.0 14.2 62.5 8 69 A S E -a 38 0A 16 56,-0.8 3,-0.2 -2,-0.3 31,-0.2 -0.165 17.3-145.3 -59.8 155.0 11.7 12.3 62.6 9 70 A S S S+ 0 0 12 29,-1.9 2,-0.3 1,-0.1 30,-0.1 0.681 76.5 99.2 -93.2 -19.6 11.6 8.6 63.3 10 71 A L S S- 0 0 73 28,-0.4 -1,-0.1 1,-0.1 304,-0.1 0.325 81.3-134.3 -52.4 -1.9 8.6 8.1 61.0 11 72 A A + 0 0 26 -2,-0.3 2,-0.2 -3,-0.2 -1,-0.1 0.809 46.1 159.8 48.4 36.2 10.5 6.9 57.9 12 73 A L > - 0 0 21 1,-0.1 4,-0.9 301,-0.1 -1,-0.2 -0.619 46.1-121.3 -84.4 154.2 8.5 9.2 55.6 13 74 A H H >> S+ 0 0 12 -2,-0.2 4,-1.4 1,-0.2 3,-0.9 0.937 101.0 55.6 -62.5 -56.7 10.2 9.9 52.2 14 75 A A H >> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.900 107.4 47.1 -46.1 -56.2 10.6 13.6 52.2 15 76 A P H 3> S+ 0 0 26 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.723 110.7 52.3 -61.3 -26.6 12.5 14.0 55.6 16 77 A S H >S+ 0 0 0 -4,-0.4 5,-0.6 2,-0.2 4,-0.6 0.972 107.7 45.3 -71.2 -56.6 28.3 17.7 55.1 27 88 A D H ><5S+ 0 0 68 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.912 116.2 48.0 -49.2 -50.4 30.6 15.5 53.0 28 89 A Q H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.909 112.4 44.2 -61.1 -51.7 31.2 18.5 50.6 29 90 A L H 3<5S- 0 0 73 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.327 115.7-106.5 -83.8 14.8 31.9 21.3 53.0 30 91 A G T <<5S+ 0 0 61 -3,-1.0 -3,-0.1 -4,-0.6 -4,-0.1 0.150 77.6 127.7 85.8 -12.1 34.3 19.1 55.2 31 92 A A < - 0 0 8 -5,-0.6 2,-0.3 -6,-0.3 -1,-0.2 -0.029 52.2-122.6 -79.9 170.1 31.8 18.7 58.1 32 93 A S E -a 2 0A 40 -31,-2.7 -29,-2.8 2,-0.0 2,-0.4 -0.812 14.9-149.8-112.4 153.4 30.3 15.8 60.1 33 94 A V E +a 3 0A 12 -2,-0.3 301,-0.5 -31,-0.2 2,-0.4 -0.988 12.2 179.7-131.9 129.0 26.7 14.7 60.8 34 95 A V E -a 4 0A 7 -31,-1.7 -29,-2.7 -2,-0.4 2,-0.3 -0.987 16.5-154.7-126.1 126.8 25.2 13.0 63.8 35 96 A V E -aC 5 332A 6 297,-2.1 297,-2.0 -2,-0.4 2,-0.4 -0.850 12.4-173.9-106.5 143.5 21.4 12.2 63.7 36 97 A S E -a 6 0A 5 -31,-2.1 -29,-2.0 -2,-0.3 2,-0.4 -0.986 24.9-134.4-137.6 120.0 19.1 11.7 66.7 37 98 A M E -a 7 0A 25 -2,-0.4 2,-0.5 293,-0.3 -29,-0.3 -0.715 8.5-142.0 -85.8 127.4 15.5 10.6 65.8 38 99 A V E -a 8 0A 0 -31,-3.1 -29,-1.9 -2,-0.4 -28,-0.4 -0.713 10.8-139.0 -90.7 125.4 12.4 12.2 67.3 39 100 A E - 0 0 66 -2,-0.5 2,-2.1 -31,-0.2 6,-0.1 -0.599 43.6 -94.4 -75.9 147.2 9.5 9.9 68.1 40 101 A R S S+ 0 0 82 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.099 90.9 115.7 -59.4 33.7 6.3 11.7 67.1 41 102 A S S > S- 0 0 77 -2,-2.1 4,-2.1 1,-0.2 5,-0.3 -0.564 74.5-107.3-109.7 70.5 5.7 13.2 70.6 42 103 A G H > - 0 0 29 -2,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.106 68.4 -38.7 48.6-154.9 5.9 17.0 70.3 43 104 A V H > S+ 0 0 17 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.665 128.3 75.4 -74.0 -27.0 8.8 19.1 71.7 44 105 A E H > S+ 0 0 127 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.978 108.9 29.7 -47.6 -51.1 8.9 16.9 74.7 45 106 A A H X S+ 0 0 5 -4,-2.1 4,-1.7 -3,-0.2 -2,-0.2 0.844 120.7 55.6 -77.8 -34.4 10.6 14.3 72.5 46 107 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.945 105.5 49.0 -65.3 -49.8 12.2 16.8 70.3 47 108 A K H X S+ 0 0 50 -4,-3.6 4,-2.2 2,-0.2 -1,-0.2 0.789 108.1 55.6 -61.5 -28.0 14.0 18.7 73.0 48 109 A T H X S+ 0 0 54 -4,-0.9 4,-1.7 -5,-0.3 -1,-0.2 0.908 107.4 48.7 -72.0 -36.7 15.4 15.4 74.4 49 110 A A H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.869 107.8 56.3 -67.9 -31.2 16.9 14.6 71.1 50 111 A V H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 3,-0.3 0.978 106.7 49.6 -64.1 -42.4 18.2 18.1 71.3 51 112 A H H X S+ 0 0 94 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.771 111.5 47.2 -60.4 -43.4 19.9 17.2 74.6 52 113 A N H < S+ 0 0 46 -4,-1.7 4,-0.5 2,-0.2 -1,-0.3 0.767 114.2 47.3 -70.8 -30.9 21.5 14.0 73.2 53 114 A L H >< S+ 0 0 0 -4,-1.9 3,-1.9 -3,-0.3 5,-0.4 0.973 112.6 49.0 -71.3 -49.0 22.7 16.0 70.2 54 115 A L H 3< S+ 0 0 43 -4,-3.3 3,-0.2 1,-0.3 -2,-0.2 0.596 107.3 58.5 -61.6 -19.1 24.0 18.7 72.5 55 116 A A T 3< S+ 0 0 57 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.603 96.9 57.9 -87.5 -17.6 25.7 15.9 74.6 56 117 A Q S < S- 0 0 21 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.396 119.4-111.4 -93.0 8.0 27.8 14.6 71.7 57 118 A R - 0 0 147 -4,-0.2 2,-0.3 -3,-0.2 -3,-0.2 0.996 48.2-175.0 59.6 65.6 29.2 18.1 71.4 58 119 A V - 0 0 13 -5,-0.4 -55,-0.2 1,-0.1 -1,-0.1 -0.660 28.5-134.2 -89.1 146.9 27.6 19.1 68.1 59 120 A S S S- 0 0 47 -57,-2.0 2,-0.3 -2,-0.3 -56,-0.2 0.840 79.9 -21.3 -69.1 -38.3 28.6 22.5 66.6 60 121 A G E -b 3 0A 0 -58,-1.3 -56,-1.9 22,-0.2 2,-0.3 -0.952 68.6-111.3-161.9 174.5 25.0 23.4 65.8 61 122 A L E -bd 4 84A 0 22,-3.2 24,-2.9 -2,-0.3 2,-0.5 -0.903 8.2-163.4-127.0 145.9 21.6 21.9 65.2 62 123 A I E -bd 5 85A 0 -58,-1.9 -56,-3.0 -2,-0.3 2,-0.9 -0.994 15.9-162.7-122.0 109.6 19.2 21.4 62.4 63 124 A I E +bd 6 86A 0 22,-2.1 24,-1.1 -2,-0.5 2,-0.9 -0.865 12.9 176.6 -99.8 93.6 15.8 20.6 64.0 64 125 A N E +b 7 0A 7 -58,-2.4 -56,-0.8 -2,-0.9 22,-0.1 -0.721 41.6 98.4 -98.3 78.6 13.9 19.0 61.1 65 126 A Y S S- 0 0 5 -2,-0.9 2,-0.7 -58,-0.2 23,-0.3 -0.966 85.9 -85.4-163.5 141.7 10.7 18.0 62.8 66 127 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 23,-0.2 -0.404 47.3-178.2 -61.1 104.2 7.2 19.7 63.0 67 128 A L - 0 0 0 21,-1.8 2,-2.1 -2,-0.7 23,-0.2 -0.908 27.0-133.0-105.2 122.7 7.4 22.2 65.9 68 129 A D - 0 0 56 -2,-0.5 2,-2.9 1,-0.1 21,-0.1 -0.283 42.2-103.1 -74.3 61.8 4.1 24.1 66.7 69 130 A D S > S+ 0 0 61 -2,-2.1 4,-2.1 1,-0.3 -1,-0.1 -0.322 124.8 48.2 61.7 -72.5 5.5 27.7 67.1 70 131 A Q H > S+ 0 0 133 -2,-2.9 4,-0.6 2,-0.2 -1,-0.3 0.675 114.0 48.2 -68.6 -22.1 5.3 27.7 70.8 71 132 A D H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.784 108.8 53.9 -83.2 -40.2 7.1 24.3 70.7 72 133 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.892 103.8 55.5 -59.0 -43.2 9.6 25.6 68.3 73 134 A I H X S+ 0 0 69 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.828 113.2 43.1 -57.8 -35.4 10.4 28.5 70.8 74 135 A A H X S+ 0 0 35 -4,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.756 109.3 52.7 -83.1 -37.7 11.1 25.8 73.4 75 136 A V H < S+ 0 0 0 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.926 110.4 52.7 -64.7 -42.4 13.1 23.4 71.4 76 137 A E H >< S+ 0 0 76 -4,-2.2 3,-2.4 -5,-0.2 -2,-0.2 0.950 103.0 55.3 -55.1 -55.5 15.2 26.4 70.5 77 138 A A H 3< S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 101.8 58.4 -46.7 -42.6 15.8 27.4 74.1 78 139 A A T 3< S+ 0 0 20 -4,-1.4 2,-0.7 -3,-0.2 -1,-0.3 0.218 82.9 85.1 -73.5 8.9 17.2 23.9 74.9 79 140 A C S < S- 0 0 9 -3,-2.4 2,-1.8 2,-0.1 -1,-0.2 -0.750 85.6-150.0-110.4 65.4 19.9 24.5 72.2 80 141 A T - 0 0 88 -2,-0.7 2,-0.7 1,-0.2 -2,-0.1 -0.275 64.1 -40.7 -43.9 73.9 21.9 26.2 74.9 81 142 A N S S+ 0 0 157 -2,-1.8 -1,-0.2 1,-0.3 3,-0.1 -0.495 108.8 121.0 98.3 -54.3 23.9 28.8 72.8 82 143 A V S S- 0 0 9 -2,-0.7 -1,-0.3 1,-0.1 -22,-0.2 -0.124 76.1-103.1 -44.9 120.1 24.5 26.3 70.1 83 144 A P - 0 0 18 0, 0.0 -22,-3.2 0, 0.0 2,-0.5 -0.201 37.1-160.6 -51.2 131.2 23.0 27.7 66.8 84 145 A A E -d 61 0A 9 -24,-0.2 2,-0.5 -3,-0.1 12,-0.3 -0.960 10.2-169.2-125.0 123.2 19.7 26.1 65.7 85 146 A L E -d 62 0A 0 -24,-2.9 -22,-2.1 -2,-0.5 2,-0.6 -0.935 17.1-146.0-108.4 132.7 18.3 26.2 62.2 86 147 A F E +d 63 0A 1 10,-3.1 12,-0.4 -2,-0.5 3,-0.3 -0.899 19.1 179.8-108.0 117.1 14.6 25.0 61.9 87 148 A L S S+ 0 0 10 -24,-1.1 13,-0.3 -2,-0.6 -23,-0.2 0.540 77.7 37.3 -92.0 -5.1 13.5 23.2 58.8 88 149 A D S S+ 0 0 33 -25,-0.7 -21,-1.8 -23,-0.3 43,-0.2 -0.478 89.5 87.1-150.3 66.3 9.9 22.6 59.7 89 150 A V S S- 0 0 0 -3,-0.3 2,-0.4 -23,-0.2 -21,-0.1 -0.508 84.4 -61.2-134.2-155.2 8.2 25.4 61.7 90 151 A S > - 0 0 7 -2,-0.2 3,-1.5 -23,-0.2 5,-0.3 -0.808 24.0-147.1-101.3 137.6 6.3 28.5 60.6 91 152 A D T 3 S+ 0 0 29 -2,-0.4 164,-0.3 1,-0.3 -1,-0.1 0.729 111.0 63.7 -67.9 -22.7 8.2 31.2 58.6 92 153 A Q T 3 S+ 0 0 120 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.177 86.0 101.9 -84.7 14.5 5.8 33.1 60.7 93 154 A T S < S- 0 0 4 -3,-1.5 2,-3.0 2,-0.1 4,-0.3 -0.936 78.3-128.4-114.2 117.0 7.7 31.8 63.8 94 155 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.233 78.7 87.5 -53.2 49.5 10.3 34.1 65.6 95 156 A I S S- 0 0 3 -2,-3.0 2,-1.5 -5,-0.3 -2,-0.1 -0.772 96.6 -76.9-138.7 178.1 13.2 31.5 65.4 96 157 A N + 0 0 27 -12,-0.3 -10,-3.1 -2,-0.2 2,-0.5 -0.654 68.3 158.0 -85.6 89.0 16.0 30.7 62.8 97 158 A S - 0 0 0 -2,-1.5 159,-1.4 -4,-0.3 2,-0.6 -0.950 34.7-159.3-123.5 120.6 13.9 28.7 60.3 98 159 A I E -i 256 0B 4 -2,-0.5 2,-0.4 -12,-0.4 159,-0.2 -0.823 31.0-179.4 -89.6 121.8 14.7 28.1 56.6 99 160 A I E -i 257 0B 11 157,-3.2 159,-2.3 -2,-0.6 2,-0.2 -0.967 32.5-118.6-138.0 136.6 11.3 27.2 55.0 100 161 A F E -i 258 0B 22 -2,-0.4 2,-0.9 -13,-0.3 -9,-0.1 -0.505 55.2 -89.8 -67.7 130.7 9.8 26.2 51.6 101 162 A S >> - 0 0 7 157,-2.7 4,-2.0 -2,-0.2 3,-0.6 -0.172 41.9-175.9 -48.3 89.2 7.2 28.7 50.4 102 163 A H T 34 S+ 0 0 16 -2,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.585 85.8 55.1 -60.6 -15.1 4.0 27.4 51.9 103 164 A E T 3> S+ 0 0 52 2,-0.1 4,-0.8 3,-0.1 -1,-0.2 0.810 108.0 44.2 -88.0 -39.1 2.4 30.3 50.0 104 165 A D H X> S+ 0 0 56 -3,-0.6 4,-2.8 2,-0.2 3,-1.0 0.971 110.7 52.5 -70.6 -57.5 3.8 29.5 46.5 105 166 A G H 3X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.768 110.9 46.7 -53.3 -32.7 3.1 25.7 46.5 106 167 A T H 3> S+ 0 0 0 -4,-0.3 4,-2.0 -5,-0.3 -1,-0.3 0.770 112.5 50.9 -83.4 -21.1 -0.5 26.1 47.5 107 168 A R H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 3,-1.1 0.991 116.6 51.9 -60.1 -66.6 -4.7 25.6 43.2 111 172 A E H 3X S+ 0 0 83 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.673 104.7 59.8 -41.2 -29.5 -3.9 27.8 40.1 112 173 A H H 3X S+ 0 0 18 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.3 0.963 109.1 39.6 -69.1 -50.2 -3.0 24.7 38.1 113 174 A L H S+ 0 0 0 -4,-1.4 5,-2.5 -3,-1.1 4,-0.5 0.712 111.8 55.9 -73.9 -23.1 -6.4 23.0 38.4 114 175 A V H ><5S+ 0 0 33 -4,-1.5 3,-0.8 3,-0.2 -1,-0.2 0.924 107.5 49.2 -74.2 -40.7 -8.4 26.2 38.0 115 176 A A H 3<5S+ 0 0 90 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.766 107.6 55.4 -65.3 -30.9 -6.7 26.9 34.7 116 177 A L H 3<5S- 0 0 53 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.660 124.5-107.7 -75.7 -18.3 -7.4 23.3 33.5 117 178 A G T <<5 + 0 0 37 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.597 65.7 149.0 104.1 16.3 -11.0 24.0 34.3 118 179 A H < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.606 14.1 166.3 -85.1 141.1 -11.8 22.1 37.4 119 180 A Q + 0 0 104 -2,-0.3 2,-1.1 1,-0.1 -1,-0.1 0.513 64.1 74.2-123.4 -23.1 -14.4 23.6 39.8 120 181 A Q + 0 0 96 31,-0.1 59,-2.2 29,-0.1 60,-1.2 -0.683 66.6 174.9 -97.1 80.6 -15.0 20.5 42.0 121 182 A I E -j 180 0C 2 -2,-1.1 31,-1.5 29,-0.3 32,-0.6 -0.776 15.4-165.1 -96.0 124.8 -11.8 20.4 44.1 122 183 A A E -jk 181 153C 0 58,-2.2 60,-2.2 -2,-0.5 2,-0.4 -0.790 12.4-147.4-100.4 146.1 -11.3 17.9 47.0 123 184 A L E -jk 182 154C 1 30,-2.3 32,-2.2 -2,-0.3 2,-0.5 -0.965 14.5-176.0-119.5 132.9 -8.5 18.5 49.5 124 185 A L E -jk 183 155C 0 58,-2.8 60,-2.7 -2,-0.4 32,-0.2 -0.930 14.8-179.9-127.2 105.1 -6.5 15.8 51.3 125 186 A A E - 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0 0 62 -2,-0.3 3,-2.2 1,-0.1 2,-0.6 -0.663 45.4-100.5 -90.8 86.8 42.8 15.0 31.2 960 130 D D T >> S+ 0 0 48 -2,-1.3 3,-1.4 1,-0.3 4,-1.1 -0.040 122.3 43.7 37.7 -80.1 45.2 17.9 30.7 961 131 D Q H >> S+ 0 0 141 -2,-0.6 4,-1.4 1,-0.3 3,-0.9 0.891 110.6 55.9 -57.1 -39.8 47.5 17.1 33.6 962 132 D D H <> S+ 0 0 61 -3,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.756 101.6 58.4 -64.5 -20.4 47.4 13.4 32.8 963 133 D A H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 -1,-0.3 0.789 103.5 52.5 -75.6 -32.0 48.7 14.3 29.3 964 134 D I H < S+ 0 0 52 -4,-0.9 3,-1.1 2,-0.1 -1,-0.2 0.760 110.5 55.3 -85.8 -29.8 56.8 12.5 30.5 969 139 D A H 3< S+ 0 0 16 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.951 116.7 37.3 -68.0 -46.5 56.5 8.8 30.8 970 140 D C T 3< S+ 0 0 0 -4,-2.8 3,-0.4 -5,-0.1 -1,-0.3 -0.147 94.0 129.9 -95.1 37.3 57.0 8.4 27.1 971 141 D T < + 0 0 60 -3,-1.1 2,-2.6 1,-0.2 -3,-0.1 0.081 45.2 57.8 -73.7-156.0 59.6 11.2 26.9 972 142 D N S S+ 0 0 143 3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.233 105.2 67.3 65.6 -39.2 63.0 10.9 25.3 973 143 D V S S- 0 0 20 -2,-2.6 2,-0.3 -3,-0.4 -22,-0.2 -0.692 105.1 -95.6-106.5 144.9 61.0 10.0 22.1 974 144 D P - 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i 01148J 12 157,-1.0 159,-2.3 -2,-0.4 2,-0.4 -0.612 34.9-114.9-103.1 159.8 43.3 18.6 18.1 991 161 D F E - i 01149J 18 -2,-0.2 2,-0.1 157,-0.2 160,-0.1 -0.821 47.2 -92.8 -93.7 140.2 40.3 19.4 15.9 992 162 D S > - 0 0 14 157,-2.3 4,-1.1 -2,-0.4 -1,-0.1 -0.308 40.6-177.4 -54.9 120.4 38.8 22.8 16.4 993 163 D H H > S+ 0 0 21 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.820 78.8 61.9 -89.8 -32.1 36.1 22.6 19.0 994 164 D E H > S+ 0 0 65 2,-0.2 4,-1.2 3,-0.2 5,-0.1 0.889 111.4 39.5 -56.3 -47.3 35.1 26.2 18.8 995 165 D D H >> S+ 0 0 48 2,-0.2 4,-3.2 3,-0.2 3,-1.8 0.992 114.2 50.8 -64.8 -71.2 34.1 25.8 15.1 996 166 D G H 3X S+ 0 0 0 -4,-1.1 4,-1.3 1,-0.3 -2,-0.2 0.792 116.0 43.6 -35.6 -45.0 32.6 22.3 15.4 997 167 D T H 3X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.756 118.3 43.8 -76.7 -26.8 30.4 23.6 18.3 998 168 D R H S+ 0 0 0 -4,-0.8 5,-2.5 2,-0.1 -2,-0.2 0.908 113.6 47.2 -76.1 -37.6 20.2 25.0 14.1 1005 175 D V H ><5S+ 0 0 38 -4,-0.9 3,-2.8 3,-0.2 -2,-0.2 0.948 107.0 52.4 -69.0 -50.9 19.7 28.7 15.0 1006 176 D A H 3<5S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.799 109.7 54.2 -53.6 -30.1 19.6 30.2 11.3 1007 177 D L T 3<5S- 0 0 52 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.412 124.9-106.7 -82.2 -7.2 16.9 27.5 10.7 1008 178 D G T < 5 + 0 0 42 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.719 59.1 160.3 88.5 22.5 14.9 28.8 13.7 1009 179 D H < + 0 0 3 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.679 5.6 161.0 -81.8 127.7 15.4 26.1 16.3 1010 180 D Q + 0 0 152 -2,-0.5 2,-0.8 1,-0.2 31,-0.3 0.691 65.1 59.0-110.3 -36.0 14.7 27.4 19.9 1011 181 D Q S S+ 0 0 95 29,-0.1 59,-2.5 57,-0.1 60,-1.4 -0.851 72.6 167.5 -98.2 93.9 14.2 24.1 21.8 1012 182 D I E -p 1071 0M 0 -2,-0.8 31,-2.2 29,-0.4 32,-0.3 -0.850 21.8-150.6-114.1 145.7 17.5 22.3 21.4 1013 183 D A E -p 1072 0M 1 58,-2.2 60,-2.7 -2,-0.3 2,-0.4 -0.844 8.8-139.1-114.4 152.9 18.7 19.2 23.3 1014 184 D L E -pq10731045M 3 30,-1.6 32,-2.7 -2,-0.3 2,-0.7 -0.963 11.0-169.6-117.6 121.3 22.3 18.3 24.1 1015 185 D L E -pq10741046M 2 58,-2.4 60,-0.6 -2,-0.4 32,-0.2 -0.932 19.1-167.0-111.3 106.8 23.7 14.7 23.9 1016 186 D A E - q 01047M 2 30,-3.4 32,-2.9 -2,-0.7 34,-0.2 -0.541 17.6-125.1 -92.5 157.1 27.1 14.8 25.5 1017 187 D G - 0 0 0 30,-0.2 2,-0.3 -2,-0.2 32,-0.2 -0.421 61.4 -58.1 -86.5 176.5 29.7 12.1 25.3 1018 188 D P > - 0 0 19 0, 0.0 3,-2.8 0, 0.0 6,-0.3 -0.383 50.0-138.6 -59.3 117.9 31.1 10.7 28.7 1019 189 D L T 3 S+ 0 0 60 1,-0.3 30,-0.1 -2,-0.3 28,-0.0 0.322 96.0 82.3 -66.0 11.6 32.6 13.9 30.3 1020 190 D S T 3 S+ 0 0 76 2,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.663 80.0 87.0 -78.5 -23.8 35.6 11.8 31.4 1021 191 D S S <> S- 0 0 11 -3,-2.8 4,-3.0 1,-0.2 5,-0.2 -0.680 73.7-152.4 -81.2 124.3 36.6 12.7 27.8 1022 192 D V H > S+ 0 0 8 -2,-0.5 4,-0.8 -43,-0.2 -1,-0.2 0.807 100.1 54.4 -65.4 -26.5 38.4 16.0 27.5 1023 193 D S H > S+ 0 0 16 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.958 112.7 38.0 -73.0 -50.8 36.9 16.0 24.0 1024 194 D A H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.3 3,-0.4 0.899 112.9 58.9 -63.9 -44.4 33.3 15.5 25.0 1025 195 D R H X S+ 0 0 102 -4,-3.0 4,-0.6 -7,-0.3 -1,-0.3 0.793 111.7 42.3 -54.3 -28.9 33.9 17.8 28.0 1026 196 D L H X S+ 0 0 37 -4,-0.8 4,-0.9 -3,-0.4 -1,-0.2 0.681 107.1 58.2 -94.0 -22.6 34.9 20.4 25.4 1027 197 D R H X S+ 0 0 25 -4,-1.3 4,-2.3 -3,-0.4 3,-0.4 0.925 107.4 49.1 -74.0 -42.2 32.1 19.8 22.9 1028 198 D L H X S+ 0 0 16 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.802 104.6 58.0 -67.8 -33.0 29.5 20.5 25.5 1029 199 D A H X S+ 0 0 53 -4,-0.6 4,-2.7 -5,-0.2 -1,-0.2 0.824 111.6 41.0 -64.4 -40.9 31.1 23.8 26.7 1030 200 D G H X S+ 0 0 5 -4,-0.9 4,-2.4 -3,-0.4 5,-0.5 0.886 104.4 63.8 -75.2 -43.3 30.9 25.3 23.3 1031 201 D W H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.943 114.9 39.3 -42.8 -43.9 27.4 23.9 22.6 1032 202 D H H >X S+ 0 0 50 -4,-1.8 4,-3.5 2,-0.2 3,-1.0 0.950 108.9 55.8 -69.8 -61.0 26.8 26.2 25.5 1033 203 D K H 3< S+ 0 0 90 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.778 117.3 38.5 -46.6 -34.0 29.0 29.2 24.7 1034 204 D Y H 3< S+ 0 0 15 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.638 115.5 52.0 -93.1 -20.0 27.3 29.6 21.4 1035 205 D L H X<>S+ 0 0 0 -3,-1.0 3,-1.6 -4,-0.8 5,-1.5 0.895 112.3 45.2 -81.8 -39.4 23.9 28.7 22.7 1036 206 D T T 3<5S+ 0 0 70 -4,-3.5 3,-0.3 1,-0.3 -2,-0.2 0.669 111.2 54.3 -75.1 -20.4 24.1 31.3 25.5 1037 207 D R T 3 5S+ 0 0 146 -5,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.300 108.5 50.9 -90.5 4.3 25.4 33.8 23.0 1038 208 D N T < 5S- 0 0 46 -3,-1.6 -2,-0.2 2,-0.3 -1,-0.2 0.224 119.4-103.6-123.5 14.6 22.4 33.2 20.8 1039 209 D Q T 5S+ 0 0 172 -3,-0.3 2,-0.2 1,-0.2 -3,-0.2 0.206 84.2 122.1 81.6 -5.6 19.7 33.6 23.4 1040 210 D I < - 0 0 10 -5,-1.5 -2,-0.3 -6,-0.2 -1,-0.2 -0.586 41.3-170.6 -97.3 140.5 19.1 29.8 23.7 1041 211 D Q - 0 0 119 -31,-0.3 -29,-0.4 -2,-0.2 2,-0.1 -0.954 36.4-105.4-121.1 139.1 19.4 27.5 26.8 1042 212 D P - 0 0 25 0, 0.0 -29,-0.2 0, 0.0 3,-0.1 -0.494 19.0-160.0 -66.8 141.0 19.3 23.7 26.3 1043 213 D I S S+ 0 0 62 -31,-2.2 2,-0.3 1,-0.2 -30,-0.2 0.051 82.2 36.3-102.7 21.4 16.0 22.1 27.4 1044 214 D A + 0 0 11 -32,-0.3 -30,-1.6 24,-0.0 2,-0.3 -0.859 58.2 179.3-170.9 133.6 17.8 18.8 27.7 1045 215 D E E +q 1014 0M 116 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.831 20.3 156.5-145.5 100.4 21.3 17.8 28.8 1046 216 D R E -q 1015 0M 50 -32,-2.7 -30,-3.4 -2,-0.3 2,-0.4 -0.807 27.6-141.8-123.7 159.3 22.2 14.2 28.7 1047 217 D E E -q 1016 0M 95 -2,-0.3 -30,-0.2 -32,-0.2 2,-0.2 -0.978 14.5-173.8-125.8 142.1 25.4 12.2 28.5 1048 218 D G - 0 0 7 -32,-2.9 7,-0.1 -2,-0.4 4,-0.1 -0.685 34.4-120.1-121.1 178.6 26.1 8.9 26.6 1049 219 D D - 0 0 96 -2,-0.2 -32,-0.1 -32,-0.2 3,-0.1 0.162 61.8 -96.9-107.4 16.5 29.2 6.6 26.5 1050 220 D W S S+ 0 0 31 1,-0.3 29,-0.3 -34,-0.2 28,-0.2 0.052 88.0 120.1 91.4 -20.3 29.6 7.1 22.8 1051 221 D S S > S- 0 0 30 27,-0.1 4,-1.0 1,-0.1 -1,-0.3 -0.316 72.7-120.5 -72.1 161.7 27.7 4.0 21.6 1052 222 D A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.927 114.0 55.3 -66.0 -39.6 24.6 4.1 19.4 1053 223 D M H > S+ 0 0 37 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.796 105.4 50.3 -64.3 -32.0 22.6 2.4 22.2 1054 224 D S H > S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.732 109.5 53.7 -77.2 -22.7 23.5 5.0 24.8 1055 225 D G H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.4 -2,-0.2 0.843 110.7 46.2 -75.3 -33.3 22.4 7.5 22.3 1056 226 D F H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.951 111.0 50.7 -73.1 -48.3 19.1 5.7 22.0 1057 227 D Q H X S+ 0 0 37 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.895 111.3 47.8 -59.0 -40.3 18.5 5.4 25.7 1058 228 D Q H X S+ 0 0 37 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.790 112.8 46.5 -72.4 -31.9 19.1 9.0 26.4 1059 229 D T H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.832 117.7 45.5 -75.4 -37.3 16.9 10.4 23.6 1060 230 D M H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.922 110.8 51.0 -71.6 -44.9 14.2 7.9 24.7 1061 231 D Q H X S+ 0 0 35 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.917 112.1 49.0 -57.5 -44.6 14.6 8.6 28.4 1062 232 D M H <>S+ 0 0 1 -4,-1.5 5,-1.8 1,-0.2 4,-0.3 0.838 110.8 47.8 -64.3 -41.4 14.2 12.4 27.6 1063 233 D L H <5S+ 0 0 9 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.756 112.3 50.5 -70.5 -31.6 11.1 12.0 25.5 1064 234 D N H <5S+ 0 0 48 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.780 104.4 58.8 -74.7 -27.1 9.6 9.8 28.2 1065 235 D E T <5S- 0 0 112 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.630 125.4-106.1 -74.9 -13.5 10.5 12.6 30.7 1066 236 D G T 5S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.3 -3,-0.2 0.251 78.7 130.0 109.9 -11.8 8.3 14.8 28.6 1067 237 D I < + 0 0 37 -5,-1.8 -1,-0.3 1,-0.0 -2,-0.2 -0.650 28.2 178.2 -80.3 123.0 11.0 16.9 26.9 1068 238 D V - 0 0 48 -2,-0.5 -57,-0.1 -3,-0.1 -5,-0.1 -0.773 11.0-169.5-127.3 87.0 10.4 17.1 23.1 1069 239 D P - 0 0 2 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.310 26.2-134.0 -72.8 154.7 13.1 19.3 21.6 1070 240 D T S S+ 0 0 31 -59,-2.5 29,-2.6 1,-0.3 2,-0.3 0.591 89.9 12.1 -85.1 -12.7 12.9 20.5 17.9 1071 241 D A E -pr10121099M 0 -60,-1.4 -58,-2.2 27,-0.3 2,-0.3 -0.948 64.2-150.7-165.1 143.8 16.5 19.6 17.5 1072 242 D M E -pr10131100M 4 27,-2.3 29,-1.1 -2,-0.3 2,-0.7 -0.896 9.8-148.1-117.3 142.3 19.3 17.8 19.2 1073 243 D L E -pr10141101M 0 -60,-2.7 -58,-2.4 -2,-0.3 2,-0.2 -0.964 25.4-164.8-111.5 106.6 23.1 18.5 19.0 1074 244 D V E -p 1015 0M 0 27,-2.7 -58,-0.1 -2,-0.7 3,-0.1 -0.608 19.5-138.5 -92.8 155.3 24.7 15.1 19.4 1075 245 D A S S+ 0 0 0 -60,-0.6 2,-0.3 -2,-0.2 27,-0.1 0.450 80.4 11.0 -97.5 -2.0 28.4 14.6 20.1 1076 246 D N S > S- 0 0 4 25,-0.1 4,-1.2 -61,-0.1 28,-0.2 -0.962 76.4-108.0-163.3 163.9 29.2 11.8 17.8 1077 247 D D H > S+ 0 0 0 -2,-0.3 4,-1.2 2,-0.2 5,-0.1 0.759 110.9 57.4 -73.2 -27.0 27.6 9.9 14.9 1078 248 D Q H > S+ 0 0 9 2,-0.2 4,-1.9 -28,-0.2 3,-0.3 0.917 108.0 44.1 -68.7 -50.2 26.9 6.7 16.9 1079 249 D M H > S+ 0 0 0 -29,-0.3 4,-3.1 1,-0.2 5,-0.2 0.875 111.4 59.2 -61.1 -33.8 24.8 8.3 19.6 1080 250 D A H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.844 102.4 50.7 -61.8 -38.1 23.2 10.2 16.7 1081 251 D L H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.928 114.5 43.9 -63.1 -49.7 22.1 6.9 15.1 1082 252 D G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.904 112.4 51.6 -61.7 -45.3 20.6 5.8 18.4 1083 253 D A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.872 113.1 47.1 -57.5 -39.3 19.0 9.2 19.0 1084 254 D M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.888 110.2 49.9 -69.8 -42.5 17.5 8.9 15.5 1085 255 D R H X S+ 0 0 11 -4,-2.6 4,-1.8 -271,-0.2 -2,-0.2 0.815 114.5 48.4 -64.8 -30.3 16.3 5.3 16.1 1086 256 D A H < S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.972 111.7 45.9 -72.4 -61.4 14.8 6.8 19.4 1087 257 D I H ><>S+ 0 0 0 -4,-3.0 5,-1.7 1,-0.2 3,-1.1 0.900 113.9 51.9 -47.8 -47.2 13.1 9.8 17.7 1088 258 D T H ><5S+ 0 0 41 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.949 105.6 50.5 -61.6 -49.3 11.8 7.5 15.0 1089 259 D E T 3<5S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.494 103.2 64.3 -71.0 4.3 10.2 4.9 17.2 1090 260 D S T < 5S- 0 0 1 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.335 121.3-106.3-100.5 -1.5 8.4 7.8 19.0 1091 261 D G T < 5S+ 0 0 2 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.499 81.7 127.0 86.0 2.7 6.5 8.6 15.9 1092 262 D L < - 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