==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSION 04-JUN-03 1PK3 . COMPND 2 MOLECULE: SEX COMB ON MIDLEG CG9495-PA; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.A.KIM,M.R.SAWAYA,D.CASCIO,W.KIM,J.U.BOWIE . 222 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12261.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 3 0 3 1 2 0 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A R 0 0 123 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.9 35.2 -20.0 21.2 2 6 A A + 0 0 79 1,-0.2 3,-0.1 2,-0.1 0, 0.0 -0.065 360.0 67.8-114.1 29.0 36.0 -18.2 17.9 3 7 A N > + 0 0 62 1,-0.1 3,-1.7 2,-0.0 4,-0.4 -0.116 53.7 133.6-137.6 33.9 32.6 -16.5 17.6 4 8 A S G > + 0 0 35 -3,-0.3 3,-1.0 1,-0.3 13,-0.1 0.705 57.9 77.2 -60.7 -22.7 32.7 -14.2 20.6 5 9 A H G > S+ 0 0 11 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.787 88.2 60.6 -60.6 -25.1 31.4 -11.3 18.5 6 10 A L G < S+ 0 0 121 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.823 103.0 49.9 -70.7 -31.7 28.0 -12.9 18.9 7 11 A R G < S+ 0 0 153 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.023 108.3 59.5 -97.7 27.4 28.0 -12.6 22.7 8 12 A S S < S- 0 0 33 -3,-1.0 5,-0.1 0, 0.0 0, 0.0 -0.996 86.8 -98.2-153.6 150.8 29.0 -8.9 22.8 9 13 A Q > - 0 0 132 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.411 34.8-120.2 -69.1 142.2 27.8 -5.5 21.7 10 14 A P G > S+ 0 0 24 0, 0.0 3,-2.0 0, 0.0 36,-0.1 0.883 112.3 61.3 -47.9 -45.1 29.3 -4.1 18.4 11 15 A I G 3 S+ 0 0 87 1,-0.3 33,-0.4 32,-0.1 34,-0.1 0.718 107.6 45.3 -58.0 -21.7 30.6 -1.1 20.3 12 16 A D G < S+ 0 0 95 -3,-2.1 -1,-0.3 31,-0.2 -3,-0.1 0.398 85.1 126.6-103.2 1.7 32.7 -3.4 22.5 13 17 A W < - 0 0 12 -3,-2.0 30,-2.9 -4,-0.5 31,-0.4 -0.290 52.9-137.4 -62.4 143.0 34.0 -5.6 19.7 14 18 A T > - 0 0 73 28,-0.2 4,-2.0 29,-0.1 5,-0.2 -0.377 35.1 -95.5 -87.8 174.8 37.8 -6.1 19.4 15 19 A I H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 128.1 51.5 -58.3 -45.6 39.5 -6.0 16.0 16 20 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 108.5 51.0 -60.1 -38.0 39.3 -9.8 15.8 17 21 A E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 106.6 54.1 -69.1 -33.1 35.6 -9.7 16.6 18 22 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 110.5 46.8 -63.3 -46.1 34.9 -7.1 13.8 19 23 A I H X S+ 0 0 2 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.895 109.2 55.3 -61.6 -40.7 36.6 -9.5 11.4 20 24 A Q H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.930 108.5 48.4 -56.8 -47.7 34.6 -12.3 12.8 21 25 A Y H X S+ 0 0 18 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.931 114.5 44.8 -59.1 -49.0 31.4 -10.4 12.1 22 26 A I H X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 3,-0.5 0.948 114.3 48.2 -61.9 -51.8 32.5 -9.6 8.5 23 27 A E H >< S+ 0 0 88 -4,-3.2 3,-0.5 1,-0.2 7,-0.2 0.928 112.2 48.2 -54.7 -52.5 33.7 -13.1 7.7 24 28 A S H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 -5,-0.3 3,-0.2 0.724 116.5 43.0 -64.6 -23.4 30.6 -14.8 9.0 25 29 A N H 3< S+ 0 0 85 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.576 128.6 17.1-100.9 -10.9 28.2 -12.5 7.1 26 30 A D X< - 0 0 44 -4,-1.4 3,-2.3 -3,-0.5 4,-0.4 -0.597 55.9-167.6-164.2 95.4 30.0 -12.3 3.8 27 31 A N G > S+ 0 0 135 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.804 88.3 67.4 -53.5 -34.1 32.6 -14.8 2.7 28 32 A S G 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.639 99.7 51.6 -64.9 -12.8 33.6 -12.6 -0.2 29 33 A L G X S+ 0 0 2 -3,-2.3 3,-1.9 -7,-0.2 -1,-0.3 0.502 80.0 94.0-101.0 -6.3 34.9 -10.0 2.3 30 34 A A G X S+ 0 0 32 -3,-1.5 3,-1.8 -4,-0.4 4,-0.2 0.816 75.2 66.5 -55.1 -33.3 37.1 -12.5 4.3 31 35 A V G 3 S+ 0 0 112 -4,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.741 93.4 60.1 -62.0 -24.0 40.1 -11.5 2.1 32 36 A H G X> S+ 0 0 38 -3,-1.9 3,-1.3 1,-0.2 4,-1.1 0.353 71.1 107.7 -88.2 7.4 40.1 -8.0 3.6 33 37 A G H X> S+ 0 0 8 -3,-1.8 4,-1.2 1,-0.3 3,-0.8 0.902 74.9 53.6 -49.7 -50.0 40.6 -9.2 7.2 34 38 A D H 3> S+ 0 0 115 -3,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.732 99.3 64.8 -61.0 -22.5 44.2 -8.0 7.4 35 39 A L H <> S+ 0 0 40 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.915 101.7 48.3 -66.5 -41.6 43.0 -4.5 6.3 36 40 A F H <<>S+ 0 0 1 -4,-1.1 5,-2.8 -3,-0.8 -1,-0.2 0.821 113.9 47.4 -68.1 -30.3 41.0 -4.2 9.5 37 41 A R H ><5S+ 0 0 90 -4,-1.2 3,-1.2 3,-0.2 -2,-0.2 0.951 112.9 48.2 -73.2 -49.3 44.0 -5.4 11.5 38 42 A K H 3<5S+ 0 0 127 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.890 118.1 39.7 -57.3 -43.8 46.4 -3.0 9.7 39 43 A H T 3<5S- 0 0 22 -4,-2.6 93,-2.5 -5,-0.2 -1,-0.3 0.357 110.2-124.3 -90.9 7.6 44.1 0.0 10.1 40 44 A E T < 5 + 0 0 68 -3,-1.2 2,-1.0 1,-0.2 -3,-0.2 0.904 40.8 176.7 51.6 54.9 43.2 -1.1 13.7 41 45 A I < + 0 0 0 -5,-2.8 -1,-0.2 91,-0.1 -23,-0.2 -0.744 5.0 166.4 -92.8 96.5 39.4 -1.1 13.2 42 46 A D > - 0 0 21 -2,-1.0 4,-2.7 -24,-0.1 -28,-0.2 -0.267 56.2 -79.4 -93.1-170.5 37.8 -2.3 16.4 43 47 A G H > S+ 0 0 0 -30,-2.9 4,-1.8 1,-0.2 -31,-0.2 0.924 130.1 49.9 -57.7 -49.3 34.1 -2.1 17.1 44 48 A K H 4 S+ 0 0 68 -31,-0.4 4,-0.3 -33,-0.4 -1,-0.2 0.901 114.8 45.2 -57.4 -42.1 34.2 1.6 18.1 45 49 A A H >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.9 0.896 106.4 60.0 -68.8 -40.9 36.1 2.5 15.0 46 50 A L H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.867 101.0 54.9 -54.6 -40.4 33.8 0.3 12.8 47 51 A L T 3< S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.561 109.5 47.3 -72.7 -7.9 30.8 2.4 13.8 48 52 A R T <4 S+ 0 0 94 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.498 91.6 105.6-107.7 -9.6 32.5 5.6 12.7 49 53 A L << - 0 0 19 -4,-0.9 2,-0.3 -3,-0.7 3,-0.0 -0.350 44.8-178.2 -74.1 148.1 33.7 4.3 9.3 50 54 A N > - 0 0 68 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.919 41.2 -99.3-139.3 166.7 32.1 5.2 6.0 51 55 A S H > S+ 0 0 21 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.871 118.4 54.4 -55.5 -43.7 32.6 4.2 2.4 52 56 A E H > S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.903 109.5 48.4 -60.3 -40.8 34.7 7.2 1.4 53 57 A M H >>S+ 0 0 42 -3,-0.3 4,-3.2 2,-0.2 5,-0.9 0.916 109.4 52.5 -63.9 -45.5 37.1 6.6 4.3 54 58 A M H X5S+ 0 0 2 -4,-2.0 6,-2.0 3,-0.2 4,-0.8 0.885 115.3 41.5 -59.0 -40.1 37.5 2.9 3.4 55 59 A M H X5S+ 0 0 70 -4,-2.1 4,-0.6 4,-0.2 -2,-0.2 0.930 120.4 41.7 -73.9 -46.0 38.4 3.8 -0.2 56 60 A K H <5S+ 0 0 121 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.912 132.3 17.8 -69.4 -44.9 40.6 6.7 0.7 57 61 A Y H <5S+ 0 0 64 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.747 128.5 42.9-102.9 -26.9 42.5 5.3 3.6 58 62 A M H < - 0 0 164 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.373 31.7-101.7 -77.1 164.5 37.5 -0.6 -4.0 62 66 A L H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 117.5 54.6 -54.8 -47.3 33.9 0.8 -4.1 63 67 A G H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.956 112.3 40.3 -53.0 -60.7 32.2 -2.6 -4.3 64 68 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.885 114.3 55.0 -57.2 -40.9 33.8 -4.0 -1.1 65 69 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 109.3 46.6 -60.8 -42.3 33.4 -0.7 0.7 66 70 A L H X S+ 0 0 93 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.884 112.4 50.4 -67.3 -38.4 29.7 -0.6 -0.1 67 71 A K H X S+ 0 0 84 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.891 112.6 46.0 -67.1 -39.5 29.3 -4.2 1.1 68 72 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.932 110.4 54.2 -67.5 -43.8 31.1 -3.5 4.3 69 73 A C H X S+ 0 0 36 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.885 106.2 53.3 -56.1 -40.2 29.1 -0.4 4.8 70 74 A N H X S+ 0 0 85 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.890 107.6 49.9 -64.1 -39.5 25.9 -2.5 4.4 71 75 A L H X S+ 0 0 11 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.863 109.4 51.8 -67.3 -35.1 27.1 -4.9 7.1 72 76 A V H >< S+ 0 0 13 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.862 103.2 59.0 -68.9 -34.9 27.8 -2.0 9.5 73 77 A N H >< S+ 0 0 98 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.827 97.9 60.0 -62.5 -32.8 24.3 -0.6 8.9 74 78 A K H 3< S+ 0 0 134 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 113.0 36.9 -66.3 -28.7 22.8 -3.8 10.2 75 79 A V T << 0 0 28 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.055 360.0 360.0-108.6 21.6 24.5 -3.2 13.5 76 80 A N < 0 0 161 -3,-1.4 -1,-0.1 -5,-0.1 -4,-0.1 -0.439 360.0 360.0 74.2 360.0 23.9 0.5 13.2 77 !* 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 78 13 B Q >> 0 0 167 0, 0.0 3,-2.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 139.1 36.2 23.9 29.5 79 14 B P G >4 + 0 0 14 0, 0.0 3,-1.9 0, 0.0 36,-0.1 0.851 360.0 61.9 -43.0 -46.7 38.0 21.9 26.7 80 15 B I G 34 S+ 0 0 71 1,-0.3 33,-0.4 32,-0.1 34,-0.1 0.742 107.8 46.0 -55.7 -22.9 39.5 25.1 25.2 81 16 B D G <4 S+ 0 0 116 -3,-2.8 -1,-0.3 31,-0.2 31,-0.0 0.498 85.9 121.8 -99.0 -5.8 41.3 25.6 28.5 82 17 B W << - 0 0 49 -3,-1.9 30,-2.8 -4,-0.6 31,-0.4 -0.266 55.1-136.6 -62.3 143.4 42.6 22.0 28.9 83 18 B T > - 0 0 74 28,-0.2 4,-1.8 29,-0.1 5,-0.2 -0.359 34.3 -95.6 -87.2 174.4 46.3 21.4 29.3 84 19 B I H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 126.9 49.2 -57.9 -47.0 48.0 18.6 27.4 85 20 B E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.847 108.7 52.8 -63.8 -33.6 47.7 16.3 30.4 86 21 B E H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.847 107.6 51.8 -70.4 -33.3 44.0 17.1 30.8 87 22 B V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.933 111.7 46.8 -66.1 -45.6 43.4 16.2 27.2 88 23 B I H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.933 111.3 51.1 -62.0 -46.2 45.2 12.8 27.7 89 24 B Q H X S+ 0 0 114 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.925 110.5 49.9 -57.5 -44.4 43.2 12.2 30.9 90 25 B Y H X S+ 0 0 38 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.934 115.8 42.1 -59.5 -47.9 40.0 12.9 29.1 91 26 B I H X S+ 0 0 5 -4,-2.5 4,-1.4 2,-0.2 7,-0.2 0.953 117.5 44.3 -65.4 -52.3 40.9 10.5 26.2 92 27 B E H < S+ 0 0 60 -4,-3.1 7,-0.2 1,-0.2 3,-0.2 0.886 111.6 51.4 -60.3 -47.5 42.3 7.7 28.3 93 28 B S H < S+ 0 0 95 -4,-2.3 3,-0.2 -5,-0.3 -1,-0.2 0.807 114.2 44.6 -63.4 -30.7 39.6 7.6 31.0 94 29 B N H < S+ 0 0 90 -4,-1.1 2,-0.2 -5,-0.3 -1,-0.2 0.681 129.0 20.8 -88.5 -19.9 36.9 7.5 28.4 95 30 B D >< - 0 0 15 -4,-1.4 3,-2.3 -3,-0.2 4,-0.3 -0.728 61.7-167.0-151.6 97.0 38.5 4.8 26.2 96 31 B N G > S+ 0 0 137 1,-0.3 3,-1.5 -3,-0.2 4,-0.4 0.772 86.4 67.9 -55.1 -30.5 41.2 2.6 27.7 97 32 B S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.609 96.5 56.8 -68.1 -9.8 42.3 1.3 24.2 98 33 B L G X S+ 0 0 2 -3,-2.3 3,-2.0 -7,-0.2 4,-0.4 0.551 78.3 89.5 -97.1 -8.5 43.6 4.8 23.5 99 34 B A G X S+ 0 0 35 -3,-1.5 3,-1.5 -4,-0.3 4,-0.4 0.843 78.4 65.3 -56.2 -34.4 45.9 5.0 26.5 100 35 B V G 3 S+ 0 0 112 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.744 104.5 46.5 -61.1 -20.9 48.7 3.5 24.4 101 36 B H G X> S+ 0 0 32 -3,-2.0 3,-1.4 1,-0.2 4,-0.7 0.444 81.8 98.4-101.1 -1.8 48.5 6.7 22.3 102 37 B G H X> S+ 0 0 3 -3,-1.5 3,-1.2 -4,-0.4 4,-0.8 0.871 77.2 59.5 -53.3 -40.7 48.5 9.2 25.2 103 38 B D H 3> S+ 0 0 101 -4,-0.4 4,-2.5 1,-0.3 3,-0.3 0.772 93.9 66.2 -61.7 -25.5 52.2 9.8 24.8 104 39 B L H <> S+ 0 0 40 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.840 96.7 55.0 -65.3 -31.7 51.6 11.0 21.3 105 40 B F H <<>S+ 0 0 1 -3,-1.2 5,-2.7 -4,-0.7 -1,-0.2 0.807 109.0 47.6 -71.2 -28.3 49.7 14.0 22.6 106 41 B R H ><5S+ 0 0 94 -4,-0.8 3,-1.2 -3,-0.3 -2,-0.2 0.945 112.4 48.9 -73.8 -49.2 52.7 14.9 24.8 107 42 B K H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.862 118.5 38.4 -57.4 -41.3 55.1 14.6 21.9 108 43 B H T 3<5S- 0 0 25 -4,-2.3 103,-2.4 -5,-0.2 -1,-0.3 0.340 108.7-124.9 -95.0 8.3 53.0 16.7 19.5 109 44 B E T < 5 + 0 0 75 -3,-1.2 2,-1.0 1,-0.2 -3,-0.2 0.914 40.2 177.7 48.3 57.4 52.0 19.1 22.3 110 45 B I < + 0 0 0 -5,-2.7 -1,-0.2 101,-0.1 -23,-0.2 -0.763 4.3 168.7 -93.6 98.7 48.3 18.8 21.9 111 46 B D > - 0 0 28 -2,-1.0 4,-2.7 -24,-0.1 -28,-0.2 -0.276 54.8 -80.1 -93.5-172.7 46.5 20.9 24.5 112 47 B G H > S+ 0 0 0 -30,-2.8 4,-1.9 1,-0.2 -31,-0.2 0.903 129.7 50.6 -57.7 -45.8 42.8 21.7 24.5 113 48 B K H 4 S+ 0 0 70 -31,-0.4 4,-0.3 -33,-0.4 -1,-0.2 0.915 115.2 43.9 -60.0 -42.1 43.0 24.5 22.0 114 49 B A H >> S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-0.7 0.888 107.7 59.5 -69.6 -39.2 45.0 22.2 19.6 115 50 B L H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.898 100.6 55.8 -55.8 -42.5 42.6 19.3 20.3 116 51 B L T 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.603 109.3 47.3 -68.5 -10.5 39.7 21.3 19.0 117 52 B R T <4 S+ 0 0 76 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.474 90.6 104.9-107.2 -4.9 41.5 21.9 15.7 118 53 B L << - 0 0 22 -3,-1.1 2,-0.3 -4,-0.7 3,-0.0 -0.425 44.9-179.0 -77.9 147.2 42.6 18.3 15.1 119 54 B N > - 0 0 66 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.885 42.2 -97.2-136.6 171.0 40.9 16.0 12.5 120 55 B S H > S+ 0 0 19 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.883 119.4 53.8 -58.4 -42.5 41.4 12.4 11.5 121 56 B E H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.911 109.8 48.4 -60.7 -42.2 43.6 13.2 8.4 122 57 B M H >>S+ 0 0 39 2,-0.2 4,-3.3 1,-0.2 5,-0.8 0.908 110.3 50.9 -63.5 -44.6 46.0 15.3 10.6 123 58 B M H X5S+ 0 0 2 -4,-2.0 6,-1.8 3,-0.2 4,-1.1 0.895 115.4 42.8 -61.4 -40.3 46.3 12.6 13.2 124 59 B M H <5S+ 0 0 35 -4,-2.3 4,-0.5 4,-0.2 -2,-0.2 0.925 120.4 41.4 -72.1 -43.7 47.1 10.0 10.6 125 60 B K H <5S+ 0 0 121 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.914 131.3 19.4 -72.1 -43.6 49.4 12.2 8.6 126 61 B Y H <5S+ 0 0 62 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.725 128.1 41.7-103.6 -24.1 51.3 13.9 11.5 127 62 B M S < - 0 0 83 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.405 32.8 -98.9 -81.4 165.7 46.0 4.5 12.1 131 66 B L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 118.3 56.7 -52.2 -46.7 42.5 5.2 10.9 132 67 B G H > S+ 0 0 0 -93,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.956 111.5 39.3 -51.7 -61.8 40.8 3.3 13.8 133 68 B P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 114.6 55.4 -57.5 -40.4 42.4 5.2 16.7 134 69 B A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.930 109.0 46.8 -60.3 -45.5 42.0 8.5 14.8 135 70 B L H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.903 112.0 50.1 -63.4 -41.9 38.3 7.9 14.3 136 71 B K H X S+ 0 0 13 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.856 112.7 46.5 -66.1 -35.5 37.8 7.0 18.0 137 72 B I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 110.5 53.3 -71.4 -42.7 39.7 10.1 19.1 138 73 B C H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.917 108.3 51.5 -55.8 -44.6 37.7 12.2 16.6 139 74 B N H X S+ 0 0 49 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.882 107.8 50.6 -62.1 -41.3 34.5 10.8 18.2 140 75 B L H < S+ 0 0 10 -4,-1.7 4,-0.4 1,-0.2 3,-0.2 0.865 109.7 51.5 -66.1 -34.9 35.6 11.7 21.7 141 76 B V H >< S+ 0 0 14 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.882 103.2 58.5 -68.4 -37.7 36.3 15.2 20.6 142 77 B N H >< S+ 0 0 86 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.796 97.3 62.7 -61.2 -29.2 32.9 15.6 19.0 143 78 B K T 3< S+ 0 0 144 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.672 113.1 33.7 -71.6 -17.2 31.4 14.8 22.5 144 79 B V T < 0 0 30 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.051 360.0 360.0-123.6 22.6 32.9 18.0 23.9 145 80 B N < 0 0 164 -3,-1.1 -4,-0.1 -5,-0.1 -2,-0.1 -0.319 360.0 360.0 69.5 360.0 32.6 20.0 20.7 146 !* 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 3 C K 0 0 135 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 54.8 54.7 16.6 148 4 C T + 0 0 157 2,-0.1 2,-0.5 4,-0.0 0, 0.0 0.754 360.0 75.0 -76.4 -29.5 53.8 55.8 20.2 149 5 C R S S- 0 0 179 1,-0.1 3,-0.2 2,-0.0 0, 0.0 -0.769 83.2-120.3 -92.3 130.1 50.7 53.8 20.8 150 6 C A S S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.084 87.4 32.5 -61.0 162.2 51.1 50.0 21.5 151 7 C N > + 0 0 56 1,-0.1 3,-2.0 2,-0.1 4,-0.3 0.896 59.4 172.9 55.4 51.7 49.6 47.3 19.4 152 8 C S G > + 0 0 24 1,-0.3 3,-2.2 -3,-0.2 -1,-0.1 0.741 68.8 77.7 -59.5 -22.3 49.7 49.1 16.0 153 9 C H G > S+ 0 0 7 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.789 84.8 63.2 -59.4 -25.6 48.5 45.8 14.4 154 10 C L G < S+ 0 0 123 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.689 103.4 49.0 -71.0 -17.3 45.1 46.7 15.6 155 11 C R G < S+ 0 0 102 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.149 106.3 60.6-110.6 19.0 45.1 49.8 13.4 156 12 C S S < S- 0 0 51 -3,-1.1 5,-0.1 -4,-0.1 0, 0.0 -0.977 87.7 -99.5-142.4 153.4 46.3 48.2 10.1 157 13 C Q >> - 0 0 135 -2,-0.3 3,-2.0 1,-0.1 4,-0.5 -0.474 36.0-118.7 -71.2 143.5 45.0 45.5 7.8 158 14 C P G >4 S+ 0 0 19 0, 0.0 3,-1.6 0, 0.0 36,-0.1 0.870 113.7 60.8 -50.3 -41.2 46.6 42.1 8.3 159 15 C I G 34 S+ 0 0 90 1,-0.3 33,-0.4 32,-0.1 34,-0.1 0.754 107.4 46.7 -60.9 -22.3 47.9 42.1 4.7 160 16 C D G <4 S+ 0 0 107 -3,-2.0 -1,-0.3 31,-0.2 -3,-0.1 0.460 84.8 126.4 -98.1 -3.1 49.9 45.2 5.6 161 17 C W << - 0 0 11 -3,-1.6 30,-2.7 -4,-0.5 31,-0.5 -0.237 53.7-135.9 -59.5 143.0 51.3 44.0 8.9 162 18 C T > - 0 0 73 28,-0.2 4,-1.8 29,-0.1 5,-0.2 -0.328 35.3 -96.4 -84.7 174.8 55.0 44.1 9.5 163 19 C I H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.926 127.7 51.3 -60.3 -44.2 56.8 41.2 11.1 164 20 C E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 107.8 52.1 -63.7 -32.4 56.5 42.8 14.5 165 21 C E H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 105.5 54.3 -73.2 -33.0 52.8 43.4 14.1 166 22 C V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.940 110.9 47.2 -62.6 -43.9 52.3 39.8 13.2 167 23 C I H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.893 108.5 54.0 -64.1 -39.8 54.0 39.0 16.5 168 24 C Q H X S+ 0 0 45 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.924 107.8 51.8 -57.5 -45.9 51.9 41.6 18.4 169 25 C Y H X S+ 0 0 16 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.922 110.7 46.5 -57.4 -48.8 48.8 39.8 17.0 170 26 C I H >X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 3,-1.0 0.959 114.4 47.4 -59.7 -51.7 50.0 36.4 18.3 171 27 C E H 3< S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.3 52.7 -59.9 -34.8 50.9 37.8 21.7 172 28 C S H 3< S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.667 118.2 35.1 -77.3 -16.6 47.6 39.6 22.1 173 29 C N H << S+ 0 0 86 -3,-1.0 2,-0.2 -4,-1.0 -2,-0.2 0.608 127.2 21.5-114.3 -15.4 45.5 36.6 21.4 174 30 C D >< - 0 0 13 -4,-2.0 3,-2.0 -5,-0.1 4,-0.5 -0.669 51.1-170.7-158.3 98.8 47.4 33.6 22.9 175 31 C N G > S+ 0 0 141 1,-0.3 3,-0.9 -2,-0.2 4,-0.4 0.780 88.3 65.5 -58.5 -29.9 49.9 34.0 25.6 176 32 C S G 3 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.589 102.3 49.5 -71.3 -8.7 50.9 30.3 25.2 177 33 C L G X> S+ 0 0 1 -3,-2.0 3,-2.1 -7,-0.2 4,-0.5 0.511 81.0 92.5-105.8 -7.9 52.2 31.1 21.7 178 34 C A G X4 S+ 0 0 30 -3,-0.9 3,-1.4 -4,-0.5 4,-0.4 0.840 77.7 65.0 -54.7 -35.2 54.3 34.2 22.6 179 35 C V G 34 S+ 0 0 116 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.726 103.6 47.8 -60.9 -22.1 57.4 31.9 23.1 180 36 C H G X> S+ 0 0 42 -3,-2.1 3,-1.9 1,-0.2 4,-0.5 0.504 81.9 97.3 -96.9 -7.0 57.2 31.2 19.3 181 37 C G H XX S+ 0 0 1 -3,-1.4 3,-1.9 -4,-0.5 4,-0.5 0.862 75.8 61.5 -49.6 -41.8 56.8 34.8 18.2 182 38 C D H >> S+ 0 0 64 -4,-0.4 4,-2.5 1,-0.3 3,-0.8 0.728 88.0 71.5 -60.7 -23.3 60.5 35.0 17.4 183 39 C L H <> S+ 0 0 43 -3,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.809 93.0 58.5 -62.6 -26.5 60.2 32.3 14.8 184 40 C F H <<>S+ 0 0 0 -3,-1.9 5,-2.7 -4,-0.5 -1,-0.3 0.782 106.2 46.5 -75.0 -24.3 58.4 34.9 12.8 185 41 C R H X<5S+ 0 0 94 -3,-0.8 3,-1.6 -4,-0.5 -2,-0.2 0.940 112.6 50.9 -76.3 -49.5 61.4 37.2 12.9 186 42 C K H 3<5S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.873 119.1 35.5 -52.5 -45.8 63.7 34.2 12.0 187 43 C H T 3<5S- 0 0 78 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.266 108.9-123.1 -96.6 11.7 61.6 33.2 9.0 188 44 C E T < 5 + 0 0 150 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.903 43.4 174.9 46.6 57.0 60.7 36.8 8.1 189 45 C I < + 0 0 18 -5,-2.7 -1,-0.2 -6,-0.1 -23,-0.1 -0.787 1.8 168.7 -96.9 99.6 56.9 36.3 8.3 190 46 C D > - 0 0 42 -2,-0.9 4,-2.9 -24,-0.1 -28,-0.2 -0.272 55.0 -79.0 -94.5-172.0 55.1 39.6 7.8 191 47 C G H > S+ 0 0 0 -30,-2.7 4,-1.8 1,-0.2 -31,-0.2 0.903 129.9 50.9 -56.6 -45.9 51.4 40.0 7.2 192 48 C K H 4 S+ 0 0 116 -31,-0.5 -1,-0.2 -33,-0.4 4,-0.1 0.905 115.3 43.0 -60.1 -41.8 51.5 39.1 3.5 193 49 C A H >> S+ 0 0 31 1,-0.2 3,-2.0 2,-0.2 4,-0.8 0.885 108.0 59.7 -70.9 -40.0 53.5 35.9 4.3 194 50 C L H >< S+ 0 0 4 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.874 100.3 56.4 -55.8 -39.3 51.3 35.1 7.3 195 51 C L T 3< S+ 0 0 51 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.532 109.8 45.9 -72.3 -4.7 48.2 35.0 5.0 196 52 C R T <4 S+ 0 0 200 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.453 91.9 105.9-112.8 -7.4 50.0 32.3 2.8 197 53 C L << - 0 0 29 -3,-0.8 2,-0.3 -4,-0.8 3,-0.0 -0.417 44.7-178.2 -77.2 146.3 51.2 30.2 5.7 198 54 C N > - 0 0 67 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.886 41.5 -98.3-136.7 169.9 49.7 26.8 6.6 199 55 C S H > S+ 0 0 19 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.875 118.7 54.9 -57.3 -42.9 50.2 24.2 9.3 200 56 C E H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 109.1 48.4 -60.4 -40.8 52.4 21.9 7.2 201 57 C M H >>S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-1.0 0.909 109.1 52.7 -64.9 -44.0 54.8 24.7 6.4 202 58 C M H X5S+ 0 0 2 -4,-2.0 6,-2.1 3,-0.2 4,-0.5 0.881 115.6 41.0 -59.9 -38.6 55.0 25.7 10.0 203 59 C M H X5S+ 0 0 34 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.923 120.6 41.3 -76.5 -44.9 56.0 22.2 11.0 204 60 C K H <5S+ 0 0 143 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.915 132.5 17.8 -71.2 -44.2 58.3 21.4 8.0 205 61 C Y H <5S+ 0 0 144 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.771 128.9 42.7-102.0 -29.7 60.1 24.7 7.8 206 62 C M H < - 0 0 98 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.355 31.5-102.5 -75.9 164.1 55.1 21.0 16.7 210 66 C L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 117.7 52.7 -55.5 -45.9 51.6 20.1 15.5 211 67 C G H > S+ 0 0 0 -103,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.967 112.7 41.5 -57.4 -58.4 49.8 21.6 18.5 212 68 C P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.893 114.0 55.2 -57.1 -40.3 51.4 25.1 18.3 213 69 C A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 108.3 47.0 -60.7 -44.7 51.0 25.0 14.5 214 70 C L H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 111.9 51.2 -65.0 -37.3 47.2 24.3 14.7 215 71 C K H X S+ 0 0 17 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.871 112.5 45.1 -68.2 -37.9 46.8 27.1 17.3 216 72 C I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 3,-0.3 0.915 110.2 55.8 -70.5 -41.9 48.6 29.6 15.2 217 73 C C H X S+ 0 0 30 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.905 105.3 52.7 -55.6 -42.0 46.7 28.4 12.1 218 74 C N H X S+ 0 0 54 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.855 106.7 51.8 -64.3 -36.3 43.4 29.2 14.0 219 75 C L H >< S+ 0 0 11 -4,-1.3 3,-0.5 -3,-0.3 4,-0.4 0.897 110.1 49.0 -67.0 -39.6 44.6 32.7 14.8 220 76 C V H >X S+ 0 0 12 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.868 102.4 63.1 -66.1 -36.4 45.3 33.3 11.1 221 77 C N H 3< S+ 0 0 71 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.809 98.3 57.4 -56.9 -31.5 41.9 31.9 10.2 222 78 C K T << S+ 0 0 148 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.657 116.6 30.9 -76.7 -16.9 40.4 34.8 12.1 223 79 C V T <4 0 0 41 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.168 360.0 360.0-127.2 18.3 42.1 37.5 10.1 224 80 C N < 0 0 123 -4,-0.5 -3,-0.2 -3,-0.5 -2,-0.1 0.800 360.0 360.0-112.5 360.0 42.4 35.9 6.6