==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 26-OCT-11 4A5N . COMPND 2 MOLECULE: UNCHARACTERIZED HTH-TYPE TRANSCRIPTIONAL REGULATO . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.J.PALM,P.WAACK,R.J.READ,W.HINRICHS . 411 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 72.3 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 . 37 9.0 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 . 17 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 4 5 3 0 0 0 5 0 0 0 0 0 1 0 1 1 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 . 2 2 0 0 1 3 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 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 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 13 A G 0 0 102 0, 0.0 5,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.0 5.9 5.0 -3.7 2 14 A S > - 0 0 31 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.419 360.0-149.0 -62.6 123.0 2.3 6.2 -4.3 3 15 A P H > S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.810 98.4 58.9 -64.6 -25.8 0.9 4.4 -7.3 4 16 A V H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.956 108.5 43.6 -62.6 -50.5 -1.2 7.5 -8.0 5 17 A E H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.808 108.8 60.4 -66.1 -27.6 1.9 9.6 -8.3 6 18 A F H X S+ 0 0 15 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.950 107.7 43.6 -60.6 -48.9 3.5 6.8 -10.4 7 19 A T H >X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-1.2 0.919 110.2 55.1 -62.3 -45.3 0.8 7.1 -13.0 8 20 A L H 3X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.828 100.7 60.9 -61.2 -29.4 0.9 10.9 -13.0 9 21 A D H 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.812 109.9 42.4 -63.0 -29.4 4.7 10.7 -13.7 10 22 A V H << S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.887 131.7 19.0 -83.5 -43.2 3.8 8.9 -17.0 11 23 A I H < S+ 0 0 0 -4,-1.9 6,-0.3 5,-0.0 -2,-0.2 0.373 105.1 103.1-112.6 -0.2 0.9 11.0 -18.2 12 24 A G < + 0 0 13 -4,-2.0 4,-0.5 -5,-0.3 3,-0.3 -0.064 43.5 57.0 -90.7-179.9 1.3 14.2 -16.2 13 25 A G S S- 0 0 55 1,-0.2 4,-0.2 100,-0.1 100,-0.1 -0.508 97.5 -51.9 93.1-165.3 2.6 17.7 -16.8 14 26 A K S S+ 0 0 110 -2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.637 123.9 19.0 -85.8 -21.9 1.5 20.3 -19.4 15 27 A W S > S+ 0 0 32 -3,-0.3 4,-2.4 2,-0.1 3,-0.5 0.702 94.5 81.6-125.5 -29.4 1.6 18.3 -22.7 16 28 A K H > S+ 0 0 10 -4,-0.5 4,-2.7 1,-0.3 5,-0.2 0.857 95.2 52.6 -63.8 -37.6 1.6 14.6 -22.5 17 29 A G H > S+ 0 0 0 -6,-0.3 4,-2.4 -4,-0.2 -1,-0.3 0.882 111.5 47.1 -59.6 -40.8 -2.2 14.4 -22.1 18 30 A I H > S+ 0 0 16 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.928 114.9 44.6 -66.3 -50.0 -2.7 16.5 -25.2 19 31 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.938 114.6 49.3 -64.5 -43.3 -0.3 14.6 -27.3 20 32 A F H >X S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 4,-0.9 0.962 109.1 52.6 -57.5 -52.2 -1.6 11.2 -26.1 21 33 A Y H >< S+ 0 0 67 -4,-2.4 3,-0.8 1,-0.3 4,-0.5 0.858 105.4 55.0 -54.0 -39.9 -5.1 12.3 -26.7 22 34 A H H 3< S+ 0 0 53 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.554 105.4 52.3 -77.7 -5.4 -4.2 13.2 -30.3 23 35 A M H X< S+ 0 0 1 -3,-2.1 3,-1.8 -4,-0.6 51,-0.4 0.521 85.8 85.9 -98.0 -11.6 -2.8 9.8 -31.1 24 36 A I T << S+ 0 0 4 -4,-0.9 -2,-0.2 -3,-0.8 374,-0.1 0.927 93.7 43.4 -55.1 -37.7 -6.0 8.0 -29.9 25 37 A D T 3 S- 0 0 22 -4,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.240 131.7 -50.9 -99.4 13.0 -7.5 8.5 -33.4 26 38 A G S < S- 0 0 6 -3,-1.8 -1,-0.3 372,-0.1 46,-0.1 -0.522 75.0 -47.9 139.9 163.2 -4.4 7.4 -35.3 27 39 A K - 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 46,-0.2 -0.126 53.3-154.1 -57.5 150.8 -0.7 8.0 -35.8 28 40 A K B -A 72 0A 25 44,-2.4 44,-3.2 4,-0.0 2,-0.2 -0.977 9.3-134.0-133.1 143.2 0.5 11.6 -36.1 29 41 A R >> - 0 0 109 -2,-0.4 4,-1.6 42,-0.2 3,-0.7 -0.557 35.4-104.7 -85.8 162.2 3.5 13.3 -37.7 30 42 A F H 3> S+ 0 0 43 40,-0.5 4,-2.0 1,-0.3 3,-0.2 0.901 121.5 49.2 -52.6 -51.9 5.5 16.0 -35.9 31 43 A N H 3> S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.738 104.3 62.5 -66.4 -20.7 4.0 18.9 -37.8 32 44 A E H <> S+ 0 0 48 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.933 104.4 46.4 -68.6 -44.1 0.6 17.4 -37.1 33 45 A F H X S+ 0 0 1 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.909 109.3 54.9 -58.5 -45.2 1.1 17.9 -33.3 34 46 A R H < S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 109.6 47.0 -60.3 -37.5 2.4 21.5 -33.9 35 47 A R H < S+ 0 0 170 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.8 46.0 -67.9 -44.7 -0.8 22.4 -35.7 36 48 A I H < S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 125.2 32.6 -59.9 -41.5 -2.9 20.8 -33.0 37 49 A C >< + 0 0 8 -4,-3.0 3,-2.0 -5,-0.2 -1,-0.2 -0.639 67.6 172.0-124.2 73.0 -0.9 22.4 -30.3 38 50 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.681 77.0 61.2 -56.6 -23.5 0.3 25.9 -31.6 39 51 A S T 3 S+ 0 0 87 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.688 84.6 94.2 -76.0 -20.6 1.6 26.9 -28.1 40 52 A I S < S- 0 0 1 -3,-2.0 2,-0.2 -6,-0.2 -3,-0.1 -0.479 70.7-137.7 -79.7 139.2 4.1 24.0 -28.0 41 53 A T > - 0 0 44 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.604 23.1-112.3 -89.4 160.3 7.7 24.7 -29.2 42 54 A Q H > S+ 0 0 107 -2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.908 117.0 51.8 -61.1 -41.8 9.6 22.2 -31.4 43 55 A R H > S+ 0 0 195 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 112.1 45.3 -59.0 -46.6 12.1 21.4 -28.5 44 56 A M H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 111.0 52.5 -65.0 -46.8 9.3 20.7 -26.0 45 57 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.951 110.2 49.9 -52.0 -50.1 7.4 18.6 -28.5 46 58 A T H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 113.3 45.1 -56.4 -43.8 10.6 16.5 -29.1 47 59 A L H X S+ 0 0 70 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.913 112.5 49.9 -67.4 -48.3 11.2 16.0 -25.4 48 60 A Q H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.945 112.8 46.2 -61.5 -48.9 7.7 15.1 -24.5 49 61 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.885 111.7 52.2 -60.0 -39.0 7.5 12.5 -27.3 50 62 A R H X S+ 0 0 158 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.918 109.7 50.0 -64.5 -36.6 10.9 11.1 -26.3 51 63 A E H X S+ 0 0 72 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.955 110.3 49.2 -65.7 -47.0 9.7 10.7 -22.7 52 64 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-1.0 0.852 112.4 48.3 -57.7 -40.3 6.5 9.0 -23.8 53 65 A E H ><5S+ 0 0 75 -4,-2.1 3,-1.4 4,-0.2 -1,-0.2 0.887 107.8 54.1 -65.7 -42.1 8.6 6.6 -26.0 54 66 A A H 3<5S+ 0 0 55 -4,-2.3 156,-0.2 1,-0.3 -1,-0.2 0.815 108.4 52.5 -59.7 -33.5 11.1 5.8 -23.2 55 67 A D T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.408 117.1-113.4 -86.9 -3.6 8.0 4.9 -21.0 56 68 A G T < 5S+ 0 0 4 -3,-1.4 22,-0.4 2,-0.2 21,-0.3 0.510 89.4 108.8 88.2 9.6 6.6 2.4 -23.6 57 69 A I S - 0 0 34 -18,-2.1 4,-2.2 -2,-0.4 5,-0.1 -0.249 30.8-100.4 -77.7 167.5 1.6 1.3 -28.3 76 88 A E T 4 S+ 0 0 121 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.889 129.6 48.6 -52.1 -43.4 -0.8 -1.5 -27.0 77 89 A F T >4 S+ 0 0 21 -21,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.894 106.9 54.6 -64.8 -41.7 0.5 -0.6 -23.6 78 90 A G G >4 S+ 0 0 0 -22,-0.4 3,-2.5 1,-0.3 -2,-0.2 0.896 99.3 61.8 -63.1 -37.4 -0.1 3.1 -24.1 79 91 A R G >< S+ 0 0 25 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.648 85.8 74.5 -69.1 -12.7 -3.7 2.5 -25.0 80 92 A T G < S+ 0 0 60 -3,-1.4 -1,-0.3 -4,-0.4 4,-0.3 0.634 89.7 60.8 -71.9 -10.7 -4.3 1.1 -21.6 81 93 A L G <> S+ 0 0 0 -3,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.426 77.5 96.1 -87.6 -4.2 -4.1 4.7 -20.3 82 94 A E H <> S+ 0 0 0 -3,-1.5 4,-2.9 1,-0.2 5,-0.4 0.855 77.8 53.0 -58.7 -42.8 -7.1 5.7 -22.5 83 95 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.958 113.0 45.0 -62.1 -40.5 -9.7 5.3 -19.8 84 96 A I H > S+ 0 0 5 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.930 117.0 44.2 -62.1 -50.2 -7.8 7.6 -17.5 85 97 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 117.1 44.6 -67.2 -42.1 -7.0 10.2 -20.2 86 98 A L H X S+ 0 0 14 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.901 111.6 52.5 -70.8 -42.6 -10.5 10.3 -21.7 87 99 A Q H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.4 -1,-0.2 0.877 109.5 50.0 -58.9 -38.8 -12.2 10.4 -18.3 88 100 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.919 109.6 51.8 -63.8 -40.6 -10.0 13.4 -17.4 89 101 A K H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.954 111.7 46.6 -55.2 -48.8 -11.0 15.0 -20.7 90 102 A E H X S+ 0 0 74 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.878 113.0 48.2 -64.2 -40.1 -14.6 14.4 -19.8 91 103 A W H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.921 111.4 50.3 -65.7 -45.3 -14.3 15.7 -16.2 92 104 A G H X S+ 0 0 1 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.903 114.2 44.4 -62.4 -43.3 -12.4 18.8 -17.4 93 105 A E H < S+ 0 0 86 -4,-2.5 3,-0.3 -5,-0.2 4,-0.3 0.938 118.0 44.4 -62.1 -49.0 -15.2 19.6 -20.0 94 106 A S H < S+ 0 0 98 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.811 123.8 32.9 -66.2 -35.1 -18.0 18.9 -17.6 95 107 A N H X S+ 0 0 32 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.345 82.7 105.6-112.1 4.8 -16.6 20.8 -14.6 96 108 A R H X S+ 0 0 111 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.895 84.0 48.0 -48.2 -52.4 -14.7 23.6 -16.3 97 109 A D H > S+ 0 0 107 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.931 112.6 45.5 -58.9 -54.4 -17.4 26.2 -15.3 98 110 A V H > S+ 0 0 61 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 114.1 50.6 -57.2 -40.4 -17.7 25.2 -11.6 99 111 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.924 110.5 46.9 -68.6 -46.0 -13.9 25.1 -11.2 100 112 A E H < S+ 0 0 100 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 109.2 55.7 -63.1 -33.7 -13.4 28.5 -12.7 101 113 A S H >< S+ 0 0 79 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.848 107.9 48.8 -68.0 -33.0 -16.2 29.9 -10.5 102 114 A Y H 3< S+ 0 0 125 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 105.5 60.2 -68.0 -35.2 -14.3 28.6 -7.4 103 115 A R T 3< 0 0 103 -4,-1.8 -1,-0.2 57,-0.2 -2,-0.2 0.214 360.0 360.0 -79.7 15.2 -11.1 30.2 -8.9 104 116 A S < 0 0 138 -3,-0.9 -3,-0.2 0, 0.0 -2,-0.1 0.048 360.0 360.0-160.1 360.0 -12.7 33.7 -8.7 105 !* 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 0.0 106 13 B G 0 0 129 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 -7.2 25.1 -23.1 107 14 B S > - 0 0 31 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.385 360.0-143.3 -57.0 128.4 -7.1 21.3 -23.3 108 15 B P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.807 101.5 56.6 -65.8 -25.5 -9.7 19.7 -20.9 109 16 B V H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 110.6 42.6 -66.4 -47.8 -7.2 16.9 -20.1 110 17 B E H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 109.7 59.4 -66.4 -32.9 -4.5 19.5 -19.0 111 18 B F H X S+ 0 0 38 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.945 109.5 43.6 -60.5 -44.9 -7.3 21.4 -17.1 112 19 B T H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.8 0.916 111.1 52.9 -66.0 -43.8 -8.0 18.3 -15.0 113 20 B L H 3X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.805 102.7 60.0 -64.0 -27.8 -4.3 17.5 -14.5 114 21 B D H 3< S+ 0 0 97 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.800 109.2 44.1 -69.2 -26.3 -3.8 21.1 -13.2 115 22 B V H << S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.875 131.7 18.5 -82.2 -38.1 -6.3 20.4 -10.4 116 23 B I H < S+ 0 0 0 -4,-1.7 6,-0.3 5,-0.0 -2,-0.2 0.434 107.3 94.0-116.4 -3.1 -5.1 16.9 -9.4 117 24 B G < + 0 0 11 -4,-2.2 4,-0.4 -5,-0.3 3,-0.2 -0.157 44.5 70.1 -94.2 179.9 -1.6 16.8 -10.8 118 25 B G S S- 0 0 52 1,-0.2 4,-0.4 2,-0.1 -110,-0.1 -0.473 96.3 -57.8 98.9-176.5 1.9 17.6 -9.5 119 26 B K S S+ 0 0 147 -2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.733 123.8 21.2 -76.1 -19.4 3.8 15.6 -6.9 120 27 B W S > S+ 0 0 35 -3,-0.2 4,-2.3 2,-0.1 3,-0.4 0.682 95.2 79.5-125.4 -30.4 1.5 15.6 -3.9 121 28 B K H > S+ 0 0 10 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.862 93.5 54.7 -63.8 -37.8 -2.2 16.3 -4.6 122 29 B G H > S+ 0 0 0 -4,-0.4 4,-2.4 -6,-0.3 -1,-0.2 0.895 111.6 44.6 -57.3 -43.4 -3.0 12.8 -5.7 123 30 B I H > S+ 0 0 25 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.932 114.4 48.7 -66.0 -48.2 -1.6 11.3 -2.5 124 31 B L H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.942 114.1 47.1 -58.2 -50.9 -3.4 13.9 -0.4 125 32 B F H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.6 0.909 108.7 53.8 -54.0 -53.0 -6.6 13.3 -2.2 126 33 B Y H >< S+ 0 0 78 -4,-2.4 3,-1.4 1,-0.3 4,-0.4 0.897 106.0 53.2 -52.9 -42.8 -6.4 9.5 -2.0 127 34 B H H 3< S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.659 105.2 54.5 -76.0 -13.3 -6.0 9.6 1.8 128 35 B M H X< S+ 0 0 1 -3,-1.1 3,-1.6 -4,-0.8 51,-0.5 0.549 83.5 88.1 -91.0 -6.1 -9.1 11.7 2.2 129 36 B I T << S+ 0 0 29 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.905 92.5 43.8 -58.5 -40.4 -11.2 9.1 0.3 130 37 B D T 3 S- 0 0 134 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.342 130.9 -63.9 -89.2 8.8 -11.9 7.2 3.5 131 38 B G S < S- 0 0 25 -3,-1.6 -1,-0.3 2,-0.0 46,-0.1 -0.586 74.2 -30.2 130.2 174.5 -12.6 10.4 5.6 132 39 B K - 0 0 107 -2,-0.2 2,-0.3 -3,-0.1 46,-0.2 -0.078 50.7-161.4 -64.7 151.5 -11.2 13.6 7.0 133 40 B K B -C 177 0B 25 44,-2.4 44,-2.6 -5,-0.0 2,-0.2 -0.975 13.3-129.8-134.4 146.9 -7.5 14.0 8.0 134 41 B R >> - 0 0 104 -2,-0.3 4,-1.4 42,-0.2 3,-1.0 -0.606 34.4-106.7 -90.5 162.1 -5.5 16.4 10.1 135 42 B F H 3> S+ 0 0 36 40,-0.5 4,-1.7 1,-0.3 3,-0.5 0.895 120.3 53.3 -54.5 -48.1 -2.4 18.1 8.9 136 43 B N H 3> S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.765 102.8 57.8 -60.0 -27.8 -0.1 15.9 11.0 137 44 B E H <> S+ 0 0 52 -3,-1.0 4,-1.3 1,-0.2 -1,-0.2 0.887 106.8 48.9 -69.4 -37.9 -1.8 12.8 9.6 138 45 B F H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.5 -2,-0.2 0.848 106.1 56.2 -66.4 -41.2 -0.7 13.9 6.1 139 46 B R H < S+ 0 0 96 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.7 47.8 -59.9 -36.2 2.9 14.6 7.3 140 47 B R H < S+ 0 0 169 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.807 109.7 52.9 -71.9 -33.7 3.1 11.0 8.4 141 48 B I H < S+ 0 0 52 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 124.4 26.9 -67.1 -36.3 1.6 9.9 5.0 142 49 B C >< + 0 0 8 -4,-2.3 3,-1.4 1,-0.1 -1,-0.3 -0.761 65.8 175.7-129.5 85.3 4.4 12.0 3.2 143 50 B P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 81.8 55.9 -65.1 -20.8 7.5 12.3 5.3 144 51 B S T 3 S+ 0 0 94 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.622 84.0 99.3 -84.4 -9.5 9.4 14.1 2.5 145 52 B I S < S- 0 0 14 -3,-1.4 2,-0.3 -6,-0.2 -3,-0.0 -0.459 72.8-133.3 -70.0 143.4 6.7 16.9 2.2 146 53 B T > - 0 0 88 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.710 20.7-114.6 -89.5 157.8 7.8 20.1 4.0 147 54 B Q H > S+ 0 0 100 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.886 115.6 51.2 -64.4 -37.9 5.1 21.7 6.2 148 55 B R H > S+ 0 0 216 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 111.2 48.1 -62.4 -42.3 5.0 24.9 3.9 149 56 B M H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 110.6 51.1 -66.2 -42.8 4.5 22.8 0.8 150 57 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.930 111.1 48.6 -58.4 -45.4 1.8 20.7 2.4 151 58 B T H X S+ 0 0 54 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 113.3 47.6 -60.9 -42.9 -0.1 23.9 3.5 152 59 B L H X S+ 0 0 85 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 111.9 48.5 -65.8 -46.8 0.3 25.3 -0.1 153 60 B Q H X S+ 0 0 23 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.902 113.9 47.0 -60.7 -42.3 -0.9 22.1 -1.8 154 61 B L H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.874 109.9 53.5 -68.0 -36.8 -3.9 21.9 0.6 155 62 B R H X S+ 0 0 178 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.889 109.1 49.5 -63.5 -40.4 -4.7 25.6 0.0 156 63 B E H X S+ 0 0 75 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 110.4 48.7 -67.1 -45.1 -4.8 25.1 -3.8 157 64 B L H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 6,-1.2 0.903 115.4 46.7 -57.2 -42.0 -7.1 22.0 -3.5 158 65 B E H ><5S+ 0 0 75 -4,-2.2 3,-1.9 4,-0.2 -2,-0.2 0.928 109.8 52.3 -62.1 -46.6 -9.3 24.1 -1.2 159 66 B A H 3<5S+ 0 0 56 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.834 108.6 51.4 -62.3 -31.6 -9.2 27.1 -3.6 160 67 B D T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.372 118.9-112.5 -85.4 -0.1 -10.3 24.8 -6.5 161 68 B G T < 5S+ 0 0 4 -3,-1.9 22,-0.6 2,-0.2 21,-0.3 0.573 89.5 109.8 81.0 12.2 -13.3 23.6 -4.4 162 69 B I S - 0 0 31 -18,-2.1 4,-2.3 -2,-0.3 5,-0.2 -0.465 31.2-102.7 -78.4 165.5 -16.1 18.1 -0.9 181 88 B E H > S+ 0 0 156 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.894 128.7 50.8 -54.4 -39.7 -18.9 16.6 -2.9 182 89 B F H >4 S+ 0 0 27 -21,-0.3 3,-1.5 1,-0.2 4,-0.4 0.955 108.0 53.3 -64.0 -48.4 -17.3 18.3 -5.9 183 90 B G H >4 S+ 0 0 0 -22,-0.6 3,-2.0 1,-0.3 4,-0.2 0.876 99.7 61.3 -46.0 -48.6 -14.0 16.8 -4.9 184 91 B R H >< S+ 0 0 76 -4,-2.3 3,-1.2 1,-0.3 -1,-0.3 0.677 87.8 73.4 -59.3 -21.8 -15.5 13.2 -4.8 185 92 B T T << S+ 0 0 63 -3,-1.5 4,-0.3 -4,-0.6 -1,-0.3 0.726 94.9 53.2 -66.7 -20.0 -16.3 13.5 -8.5 186 93 B L T <> S+ 0 0 0 -3,-2.0 4,-2.4 -4,-0.4 -1,-0.3 0.510 83.4 93.9 -86.6 -5.4 -12.6 13.1 -9.2 187 94 B E H <> S+ 0 0 48 -3,-1.2 4,-3.3 -4,-0.2 5,-0.2 0.883 80.1 52.3 -56.8 -42.6 -12.5 9.9 -7.1 188 95 B P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.924 111.7 46.7 -60.9 -40.6 -13.0 7.4 -10.0 189 96 B I H > S+ 0 0 5 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.942 113.6 48.5 -65.2 -47.1 -10.2 9.0 -11.9 190 97 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 111.0 50.2 -61.4 -42.6 -7.9 8.9 -8.8 191 98 B L H X S+ 0 0 65 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.916 108.6 53.0 -64.4 -37.8 -8.8 5.3 -8.1 192 99 B Q H X S+ 0 0 52 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.892 107.5 51.4 -60.3 -40.3 -8.0 4.3 -11.7 193 100 B M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.902 109.1 50.9 -62.0 -44.6 -4.6 6.0 -11.4 194 101 B K H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.967 115.1 42.5 -53.9 -55.9 -4.0 3.9 -8.2 195 102 B E H X S+ 0 0 100 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.929 115.1 47.8 -60.2 -46.4 -4.9 0.7 -10.0 196 103 B W H X S+ 0 0 18 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.922 113.6 49.2 -65.4 -39.9 -3.1 1.4 -13.2 197 104 B G H X S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.862 113.4 45.8 -66.5 -40.1 0.0 2.4 -11.3 198 105 B E H >< S+ 0 0 91 -4,-2.4 3,-0.5 -5,-0.2 4,-0.3 0.941 116.1 45.5 -64.9 -51.0 -0.1 -0.8 -9.1 199 106 B S H 3< S+ 0 0 88 -4,-3.1 4,-0.2 1,-0.2 -2,-0.2 0.799 120.7 38.0 -57.9 -33.5 -0.7 -3.0 -12.1 200 107 B N H 3X S+ 0 0 30 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.366 79.5 101.7-113.1 5.5 2.0 -1.5 -14.3 201 108 B R H S+ 0 0 135 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.871 114.9 44.8 -63.8 -40.0 6.9 -3.7 -13.1 203 110 B V H > S+ 0 0 47 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.861 109.8 53.4 -79.7 -31.1 6.3 -3.1 -16.9 204 111 B L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.894 107.6 54.1 -63.6 -37.2 7.0 0.6 -16.7 205 112 B E H X S+ 0 0 76 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.855 106.0 52.5 -64.7 -35.3 10.3 -0.4 -15.0 206 113 B S H < S+ 0 0 70 -4,-1.3 4,-0.2 2,-0.2 -2,-0.2 0.948 110.1 46.8 -64.4 -51.2 11.1 -2.8 -18.0 207 114 B Y H >< S+ 0 0 97 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.916 115.1 46.7 -55.9 -44.8 10.6 -0.0 -20.6 208 115 B R H 3< S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 94.3 78.2 -67.7 -29.7 12.7 2.4 -18.5 209 116 B S T 3< 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.489 360.0 360.0 -62.8 -4.0 15.4 -0.4 -18.0 210 117 B N < 0 0 173 -3,-1.1 -1,-0.2 -156,-0.2 -2,-0.2 0.335 360.0 360.0-155.4 360.0 16.7 0.4 -21.5 211 !* 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 0.0 212 14 C S > 0 0 62 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.4 -24.4 8.7 -33.9 213 15 C P H > + 0 0 43 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.831 360.0 56.3 -62.2 -31.1 -21.8 10.2 -36.3 214 16 C V H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.962 108.8 46.5 -59.7 -51.7 -20.1 6.7 -36.5 215 17 C E H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.833 108.2 55.9 -62.9 -30.3 -23.4 5.2 -37.7 216 18 C F H X S+ 0 0 126 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.894 110.7 44.7 -70.9 -37.5 -24.1 8.0 -40.2 217 19 C T H >X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 3,-1.7 0.938 109.9 53.3 -67.2 -50.8 -20.7 7.3 -41.9 218 20 C L H 3X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.3 -2,-0.2 0.889 102.8 61.3 -52.3 -37.7 -21.3 3.5 -41.9 219 21 C D H 3< S+ 0 0 106 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.808 109.7 41.0 -53.6 -33.3 -24.6 4.3 -43.6 220 22 C V H << S+ 0 0 5 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.820 131.6 21.0 -86.6 -39.2 -22.6 5.8 -46.5 221 23 C I H < S+ 0 0 0 -4,-2.1 6,-0.3 5,-0.0 -3,-0.2 0.468 103.4 100.6-116.0 -3.0 -19.7 3.4 -46.8 222 24 C G < + 0 0 15 -4,-2.9 4,-0.4 -5,-0.4 3,-0.3 -0.094 43.8 62.3 -85.5 178.1 -21.1 0.2 -45.1 223 25 C G S S- 0 0 52 97,-0.2 4,-0.2 1,-0.2 97,-0.1 -0.571 97.9 -57.2 98.3-168.3 -22.6 -3.1 -46.3 224 26 C K S S+ 0 0 135 -2,-0.2 -1,-0.2 1,-0.1 93,-0.1 0.622 124.1 24.3 -85.6 -13.8 -21.0 -5.9 -48.5 225 27 C W S > S+ 0 0 31 -3,-0.3 4,-2.2 2,-0.1 3,-0.5 0.715 92.0 79.0-127.2 -34.3 -20.1 -3.8 -51.6 226 28 C K H > S+ 0 0 9 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.841 94.0 55.7 -64.7 -33.4 -19.6 -0.0 -51.3 227 29 C G H > S+ 0 0 0 -6,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.884 111.2 44.1 -62.6 -40.1 -16.1 -0.3 -49.8 228 30 C I H > S+ 0 0 21 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.905 114.9 48.2 -72.2 -43.3 -14.9 -2.4 -52.8 229 31 C L H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.936 113.9 47.2 -62.1 -48.1 -16.6 -0.2 -55.3 230 32 C F H >X S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 4,-0.7 0.929 109.0 53.9 -56.1 -48.7 -15.2 3.0 -53.7 231 33 C Y H >< S+ 0 0 76 -4,-2.1 3,-1.1 1,-0.3 4,-0.4 0.899 106.3 53.4 -59.4 -38.0 -11.7 1.6 -53.5 232 34 C H H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.598 104.7 53.8 -75.0 -12.6 -11.7 0.8 -57.2 233 35 C M H X< S+ 0 0 0 -3,-1.6 3,-1.7 -4,-0.6 51,-0.4 0.476 84.0 90.5 -92.3 -2.6 -12.7 4.3 -58.2 234 36 C I T << S+ 0 0 29 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.1 0.883 91.5 40.9 -62.3 -37.2 -9.7 5.7 -56.2 235 37 C D T 3 S- 0 0 130 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.298 131.7 -52.0 -96.9 7.4 -7.4 5.6 -59.3 236 38 C G S < S- 0 0 24 -3,-1.7 -1,-0.3 2,-0.0 46,-0.1 -0.618 75.0 -42.8 142.9 166.7 -10.0 6.8 -61.8 237 39 C K - 0 0 110 -2,-0.2 2,-0.3 -3,-0.1 46,-0.2 -0.116 51.6-157.9 -59.7 151.3 -13.5 6.4 -63.2 238 40 C K E -E 282 0C 24 44,-2.6 44,-2.7 4,-0.0 2,-0.2 -0.970 11.2-126.3-135.0 147.3 -14.8 2.9 -63.9 239 41 C R E >> -E 281 0C 110 -2,-0.3 4,-1.6 42,-0.2 3,-0.7 -0.558 34.3-104.6 -86.3 160.5 -17.5 1.4 -66.2 240 42 C F H 3> S+ 0 0 40 40,-0.5 4,-2.0 1,-0.3 3,-0.5 0.908 120.6 48.4 -47.5 -54.1 -20.3 -0.8 -65.0 241 43 C N H 3> S+ 0 0 67 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.749 102.1 62.1 -67.9 -24.8 -18.7 -4.0 -66.4 242 44 C E H <> S+ 0 0 49 -3,-0.7 4,-1.6 2,-0.2 -1,-0.3 0.913 106.6 46.3 -64.1 -41.4 -15.4 -3.1 -64.9 243 45 C F H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.5 -2,-0.2 0.896 106.5 59.1 -64.2 -40.8 -17.1 -3.4 -61.4 244 46 C R H < S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 108.6 45.0 -55.3 -36.8 -18.8 -6.6 -62.4 245 47 C R H < S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.6 52.0 -75.5 -36.1 -15.3 -8.1 -63.0 246 48 C I H < S+ 0 0 53 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 121.1 33.9 -64.1 -39.7 -13.9 -6.7 -59.8 247 49 C C >< + 0 0 5 -4,-2.7 3,-1.3 1,-0.1 -1,-0.3 -0.766 69.5 173.3-117.8 80.5 -16.9 -8.3 -57.9 248 50 C P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.795 79.7 53.5 -60.9 -28.3 -17.6 -11.5 -59.7 249 51 C S T 3 S+ 0 0 100 -3,-0.1 2,-0.1 -4,-0.1 -5,-0.1 0.680 87.7 99.0 -80.1 -15.1 -20.2 -12.5 -57.0 250 52 C I < - 0 0 14 -3,-1.3 2,-0.2 -6,-0.2 -3,-0.1 -0.416 69.9-130.5 -75.7 142.7 -22.2 -9.3 -57.3 251 53 C T > - 0 0 80 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.578 18.0-117.5 -84.5 160.5 -25.4 -9.2 -59.3 252 54 C Q H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.954 115.0 48.0 -60.0 -51.3 -26.2 -6.6 -61.9 253 55 C R H > S+ 0 0 192 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.866 113.0 48.0 -56.9 -40.6 -29.3 -5.3 -60.0 254 56 C M H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.842 110.3 52.4 -76.0 -32.1 -27.4 -5.2 -56.7 255 57 C L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.943 111.3 46.8 -62.1 -50.4 -24.5 -3.3 -58.4 256 58 C T H X S+ 0 0 65 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.952 113.2 50.1 -52.8 -53.0 -26.9 -0.8 -59.8 257 59 C L H X S+ 0 0 34 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.923 112.7 45.6 -49.9 -53.6 -28.6 -0.5 -56.4 258 60 C Q H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.806 114.0 47.6 -67.5 -35.3 -25.3 0.1 -54.6 259 61 C L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 109.7 54.3 -75.1 -34.7 -24.0 2.6 -57.1 260 62 C R H X S+ 0 0 154 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.877 108.9 48.9 -63.9 -37.2 -27.3 4.5 -57.0 261 63 C E H X S+ 0 0 69 -4,-1.8 4,-1.9 2,-0.2 6,-0.2 0.901 109.5 50.9 -69.8 -42.9 -27.0 4.8 -53.2 262 64 C L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 6,-1.1 0.901 113.4 46.8 -60.0 -38.5 -23.4 6.1 -53.4 263 65 C E H ><5S+ 0 0 71 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.938 109.3 52.2 -66.8 -45.7 -24.6 8.7 -55.9 264 66 C A H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.840 108.8 53.0 -62.3 -26.2 -27.6 9.7 -53.8 265 67 C D T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.499 117.7-113.7 -89.7 -4.9 -25.2 10.2 -50.9 266 68 C G T < 5S+ 0 0 2 -3,-1.4 22,-0.5 -4,-0.4 -3,-0.2 0.542 89.2 107.4 95.6 10.9 -23.0 12.5 -52.9 267 69 C I S - 0 0 28 -18,-2.2 4,-2.3 -2,-0.3 5,-0.2 -0.380 31.5-100.6 -76.4 171.5 -16.8 13.2 -56.2 286 88 C E H > S+ 0 0 181 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.955 129.9 50.5 -56.1 -51.2 -14.7 15.7 -54.3 287 89 C F H >4 S+ 0 0 20 1,-0.2 3,-1.0 -21,-0.2 4,-0.3 0.913 108.9 52.4 -47.8 -49.8 -16.9 14.9 -51.3 288 90 C G H >4 S+ 0 0 0 -22,-0.5 3,-2.0 1,-0.3 4,-0.2 0.873 100.7 60.1 -58.1 -43.1 -16.3 11.2 -51.9 289 91 C R H >< S+ 0 0 97 -4,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.702 88.3 73.1 -62.2 -21.4 -12.5 11.5 -51.9 290 92 C T T << S+ 0 0 65 -3,-1.0 4,-0.3 -4,-0.9 -1,-0.3 0.696 94.8 54.9 -66.5 -14.9 -12.6 12.9 -48.4 291 93 C L T <> S+ 0 0 0 -3,-2.0 4,-2.6 -4,-0.3 -1,-0.2 0.536 79.3 94.6 -91.1 -8.3 -13.4 9.3 -47.3 292 94 C E H <> S+ 0 0 45 -3,-1.3 4,-2.7 -4,-0.2 5,-0.3 0.872 80.0 54.4 -55.2 -42.0 -10.4 7.8 -49.0 293 95 C P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.948 111.1 46.0 -60.3 -39.8 -8.2 7.9 -45.9 294 96 C I H > S+ 0 0 6 -4,-0.3 4,-2.4 -3,-0.2 -2,-0.2 0.951 112.7 50.4 -62.4 -48.5 -10.9 5.9 -44.0 295 97 C V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.901 109.7 50.0 -58.0 -42.9 -11.2 3.4 -46.8 296 98 C L H X S+ 0 0 74 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.836 109.7 52.2 -65.5 -33.3 -7.5 2.8 -47.1 297 99 C Q H X S+ 0 0 52 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.900 108.2 50.9 -70.7 -38.6 -7.4 2.2 -43.4 298 100 C M H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 21,-0.2 0.853 109.9 49.7 -62.7 -37.0 -10.2 -0.3 -43.6 299 101 C K H X S+ 0 0 52 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 113.6 46.1 -65.9 -48.7 -8.3 -2.2 -46.4 300 102 C E H X S+ 0 0 117 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.888 114.4 45.9 -61.4 -49.6 -5.1 -2.2 -44.4 301 103 C W H X S+ 0 0 18 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.899 113.2 51.1 -58.9 -45.7 -6.8 -3.4 -41.1 302 104 C G H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.885 111.3 48.2 -60.2 -41.8 -8.7 -6.0 -43.1 303 105 C E H < S+ 0 0 91 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.882 113.3 47.1 -65.7 -41.1 -5.5 -7.3 -44.6 304 106 C S H < S+ 0 0 74 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.837 124.9 28.4 -68.9 -30.4 -3.7 -7.4 -41.3 305 107 C N H X S+ 0 0 31 -4,-1.8 4,-1.8 -5,-0.1 5,-0.2 0.400 85.1 100.2-122.2 -2.1 -6.4 -9.2 -39.4 306 108 C R H X S+ 0 0 122 -4,-1.5 4,-2.3 1,-0.2 3,-0.3 0.950 88.4 45.6 -49.6 -59.6 -8.5 -11.3 -41.8 307 109 C D H > S+ 0 0 120 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.924 113.3 47.5 -53.4 -51.2 -6.8 -14.6 -40.9 308 110 C V H 4 S+ 0 0 72 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.802 114.8 46.0 -67.1 -29.1 -6.9 -14.2 -37.1 309 111 C L H >< S+ 0 0 8 -4,-1.8 3,-1.3 -3,-0.3 -1,-0.2 0.777 105.8 57.4 -87.0 -29.1 -10.6 -13.1 -37.1 310 112 C E H 3< S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.799 93.1 75.1 -64.5 -27.1 -11.7 -16.0 -39.5 311 113 C S T 3< 0 0 100 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.579 360.0 360.0 -61.7 -14.0 -10.1 -18.1 -36.7 312 114 C Y < 0 0 140 -3,-1.3 55,-0.2 55,-0.1 -3,-0.1 -0.218 360.0 360.0-149.5 360.0 -13.2 -17.4 -34.5 313 !* 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 0.0 314 14 D S > 0 0 72 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.6 -12.0 -8.1 -49.9 315 15 D P H > + 0 0 30 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.838 360.0 56.0 -63.9 -36.9 -10.1 -6.7 -46.9 316 16 D V H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 110.1 46.2 -58.5 -40.9 -12.2 -3.4 -46.8 317 17 D E H > S+ 0 0 20 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.830 106.5 57.7 -77.7 -32.8 -15.4 -5.5 -46.5 318 18 D F H X S+ 0 0 38 -4,-1.9 4,-1.3 2,-0.2 3,-0.4 0.896 108.1 48.3 -55.4 -45.5 -14.0 -7.8 -43.9 319 19 D T H X S+ 0 0 0 -4,-1.7 4,-1.2 -21,-0.2 3,-0.4 0.915 109.3 51.3 -64.1 -44.0 -13.4 -4.7 -41.7 320 20 D L H < S+ 0 0 7 -4,-1.7 -97,-0.2 1,-0.2 -1,-0.2 0.670 104.7 60.9 -70.5 -14.5 -16.9 -3.3 -42.3 321 21 D D H < S+ 0 0 120 -4,-0.8 3,-0.4 -3,-0.4 -1,-0.2 0.854 102.2 47.6 -81.4 -37.5 -18.2 -6.7 -41.2 322 22 D V H < S+ 0 0 5 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.826 124.6 32.3 -67.3 -32.2 -16.8 -6.7 -37.7 323 23 D I S < S+ 0 0 0 -4,-1.2 6,-0.4 5,-0.0 -1,-0.2 0.250 99.5 113.5-115.5 13.3 -18.1 -3.2 -37.0 324 24 D G > + 0 0 17 -3,-0.4 4,-0.6 -4,-0.2 3,-0.3 -0.123 38.4 57.0 -84.7 176.4 -21.2 -3.2 -39.2 325 25 D G T 4 S- 0 0 54 1,-0.2 4,-0.3 2,-0.1 -107,-0.1 -0.353 96.2 -62.1 95.2-175.9 -24.9 -3.0 -38.4 326 26 D K T 4 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 4,-0.2 0.643 124.0 26.3 -80.0 -13.6 -26.9 -0.4 -36.6 327 27 D W T > S+ 0 0 32 -3,-0.3 4,-2.2 2,-0.1 3,-0.3 0.745 91.1 80.3-126.4 -34.8 -25.3 -0.7 -33.2 328 28 D K H X S+ 0 0 11 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.823 93.7 55.8 -56.9 -39.0 -21.7 -2.0 -33.0 329 29 D G H > S+ 0 0 0 -6,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.931 112.1 43.1 -52.2 -50.9 -20.1 1.3 -33.8 330 30 D I H > S+ 0 0 28 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.915 114.9 48.0 -63.2 -50.0 -22.0 3.0 -31.0 331 31 D L H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.952 115.2 47.4 -59.4 -52.2 -21.3 0.2 -28.4 332 32 D F H >X S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.2 4,-0.6 0.931 108.8 52.8 -48.7 -56.2 -17.7 0.2 -29.4 333 33 D Y H >< S+ 0 0 69 -4,-2.7 3,-1.2 1,-0.3 4,-0.4 0.872 105.6 55.5 -53.6 -42.6 -17.3 3.9 -29.2 334 34 D H H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.560 102.9 55.5 -73.8 -6.5 -18.7 4.0 -25.7 335 35 D M H X< S+ 0 0 0 -3,-2.0 3,-1.4 -4,-0.5 51,-0.5 0.478 84.5 85.2 -96.3 -4.4 -16.1 1.5 -24.5 336 36 D I T << S+ 0 0 6 -3,-1.2 -2,-0.2 -4,-0.6 -250,-0.1 0.896 92.9 43.9 -61.1 -40.6 -13.2 3.6 -25.7 337 37 D D T 3 S- 0 0 25 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.254 131.6 -57.1 -86.2 7.2 -13.2 5.7 -22.4 338 38 D G S < S- 0 0 4 -3,-1.4 -1,-0.3 -252,-0.1 46,-0.1 -0.594 73.2 -40.9 138.1 171.9 -13.6 2.6 -20.3 339 39 D K - 0 0 103 -2,-0.2 2,-0.4 -3,-0.1 46,-0.2 -0.139 50.8-157.6 -67.1 153.1 -15.6 -0.5 -19.4 340 40 D K E -G 384 0D 21 44,-2.5 44,-3.3 -5,-0.0 2,-0.2 -0.978 10.2-131.3-136.6 151.2 -19.3 -0.4 -19.3 341 41 D R E >> -G 383 0D 105 -2,-0.4 4,-1.5 42,-0.2 3,-0.9 -0.590 35.3-103.3 -97.5 158.5 -22.0 -2.4 -17.7 342 42 D F H >> S+ 0 0 38 40,-0.6 4,-1.5 1,-0.3 3,-0.6 0.899 120.8 49.8 -47.4 -48.5 -25.1 -3.7 -19.5 343 43 D N H 3> S+ 0 0 71 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.754 103.0 60.9 -73.4 -22.6 -27.4 -1.1 -18.1 344 44 D E H <> S+ 0 0 55 -3,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.906 104.4 48.7 -66.0 -39.3 -25.0 1.7 -19.1 345 45 D F H < + 0 0 8 -4,-2.6 3,-1.7 1,-0.1 -1,-0.2 -0.659 69.5 172.0-122.2 72.7 -29.0 3.3 -26.6 350 50 D P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.746 76.9 55.9 -56.9 -26.0 -32.6 3.7 -25.4 351 51 D S T 3 S+ 0 0 89 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.682 86.3 97.0 -82.8 -17.5 -34.0 2.2 -28.6 352 52 D I S < S- 0 0 15 -3,-1.7 2,-0.2 -6,-0.2 -3,-0.1 -0.419 71.7-131.9 -70.4 143.4 -32.0 -1.0 -28.4 353 53 D T > - 0 0 77 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.608 18.4-118.2 -85.7 158.5 -33.8 -4.1 -26.9 354 54 D Q H > S+ 0 0 97 2,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.886 116.7 53.6 -61.5 -43.7 -32.1 -6.2 -24.2 355 55 D R H > S+ 0 0 165 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.974 114.1 42.0 -51.7 -53.9 -32.2 -9.3 -26.6 356 56 D M H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.881 112.4 52.7 -65.5 -40.8 -30.5 -7.2 -29.3 357 57 D L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.952 111.2 48.5 -58.8 -44.9 -28.0 -5.6 -26.9 358 58 D T H X S+ 0 0 66 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.927 112.6 47.6 -61.9 -48.1 -27.0 -9.1 -25.7 359 59 D L H X S+ 0 0 80 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.891 111.8 49.0 -58.0 -43.9 -26.6 -10.4 -29.3 360 60 D Q H X S+ 0 0 19 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.882 113.0 47.1 -67.7 -39.1 -24.5 -7.5 -30.5 361 61 D L H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.833 110.8 53.3 -69.2 -35.8 -22.2 -7.7 -27.5 362 62 D R H X S+ 0 0 138 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.911 108.5 49.3 -66.1 -41.4 -21.9 -11.5 -28.0 363 63 D E H X S+ 0 0 71 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 110.1 50.1 -62.7 -47.1 -20.9 -11.0 -31.6 364 64 D L H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 6,-1.1 0.887 112.8 48.2 -60.4 -38.4 -18.2 -8.5 -30.6 365 65 D E H ><5S+ 0 0 48 -4,-2.1 3,-2.0 4,-0.2 -2,-0.2 0.932 109.3 51.3 -66.5 -47.2 -16.9 -10.9 -28.0 366 66 D A H 3<5S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.8 53.1 -58.6 -30.3 -16.8 -13.9 -30.5 367 67 D D T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -55,-0.2 -2,-0.2 0.346 117.7-116.0 -88.3 4.4 -14.8 -11.6 -32.9 368 68 D G T < 5S+ 0 0 17 -3,-2.0 22,-0.5 2,-0.2 21,-0.3 0.654 87.9 109.9 73.7 19.0 -12.3 -10.9 -30.1 369 69 D I S - 0 0 34 -18,-2.4 4,-2.4 -2,-0.3 5,-0.2 -0.372 33.0 -96.3 -79.3 170.6 -9.6 -6.0 -26.0 388 88 D E H > S+ 0 0 118 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.930 131.3 49.5 -50.4 -42.0 -6.1 -5.1 -27.2 389 89 D F H >4 S+ 0 0 35 -21,-0.3 3,-1.4 1,-0.2 4,-0.3 0.936 106.8 53.8 -65.7 -47.6 -7.4 -6.3 -30.6 390 90 D G H >4 S+ 0 0 0 -22,-0.5 3,-2.2 1,-0.3 4,-0.2 0.913 101.6 59.1 -57.0 -41.3 -10.5 -4.1 -30.4 391 91 D R H >< S+ 0 0 23 -4,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.723 88.4 73.4 -65.1 -19.1 -8.5 -1.0 -29.7 392 92 D T T << S+ 0 0 63 -3,-1.4 4,-0.3 -4,-0.7 -1,-0.3 0.658 92.8 57.9 -64.4 -16.7 -6.7 -1.4 -33.0 393 93 D L T <> S+ 0 0 0 -3,-2.2 4,-2.8 -4,-0.3 -1,-0.2 0.494 79.4 92.9 -87.8 -9.3 -10.0 -0.3 -34.7 394 94 D E H <> S+ 0 0 0 -3,-1.3 4,-3.3 -4,-0.2 5,-0.4 0.882 79.1 55.4 -53.8 -45.2 -10.1 3.0 -32.8 395 95 D P H > S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.952 114.4 42.1 -55.3 -46.6 -8.4 5.0 -35.5 396 96 D I H > S+ 0 0 5 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.935 118.0 44.2 -57.2 -53.5 -11.0 3.8 -38.0 397 97 D V H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -3,-0.2 0.934 117.6 45.2 -64.7 -45.5 -14.0 4.2 -35.6 398 98 D L H X S+ 0 0 16 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.883 112.3 50.0 -69.9 -37.2 -12.8 7.7 -34.4 399 99 D Q H X S+ 0 0 43 -4,-2.7 4,-2.9 -5,-0.4 -1,-0.2 0.883 110.2 52.5 -62.9 -37.0 -12.0 9.0 -37.9 400 100 D M H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.822 108.5 50.1 -65.9 -38.3 -15.4 7.8 -39.0 401 101 D K H X S+ 0 0 45 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.901 112.9 46.5 -60.6 -44.4 -16.9 9.8 -36.1 402 102 D E H X S+ 0 0 74 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.917 113.2 48.0 -68.5 -41.2 -14.9 12.9 -37.1 403 103 D W H X S+ 0 0 18 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.935 112.3 49.6 -62.8 -47.0 -15.8 12.6 -40.7 404 104 D G H < S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.895 116.4 42.7 -62.0 -39.8 -19.5 12.1 -39.9 405 105 D E H >< S+ 0 0 99 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.959 116.1 45.7 -69.7 -54.2 -19.4 15.1 -37.6 406 106 D S H 3< S+ 0 0 103 -4,-3.4 3,-0.3 1,-0.2 -2,-0.2 0.789 118.8 42.8 -54.7 -34.6 -17.4 17.4 -39.9 407 107 D N T 3X S+ 0 0 29 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.050 74.6 118.6-108.1 22.0 -19.5 16.5 -43.0 408 108 D R H <> S+ 0 0 139 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.885 80.2 44.4 -50.9 -44.5 -22.9 16.6 -41.3 409 109 D D H > S+ 0 0 98 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.918 112.7 47.5 -74.2 -45.5 -24.0 19.4 -43.7 410 110 D V H > S+ 0 0 59 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.864 114.0 50.7 -63.1 -38.7 -22.7 18.0 -47.0 411 111 D L H >< S+ 0 0 30 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.945 112.0 45.0 -60.9 -52.7 -24.3 14.6 -46.1 412 112 D E H 3< S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.779 99.2 69.9 -66.4 -29.0 -27.7 16.1 -45.3 413 113 D S H 3< 0 0 105 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.828 360.0 360.0 -54.9 -34.1 -27.5 18.2 -48.5 414 114 D Y << 0 0 140 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.616 360.0 360.0 -89.9 360.0 -27.9 14.8 -50.2