==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-NOV-08 2KAX . COMPND 2 MOLECULE: PROTEIN S100-A5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,S.DAS GUPTA,X.HU,T.KARAVELAS,C.LUCHINAT,G.PARIGI, . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 74.5 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 . 8 4.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 45.1 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+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 0 0 2 0 2 0 1 0 1 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 2 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 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 1 A M 0 0 104 0, 0.0 134,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.6 11.7 2.6 20.9 2 2 A E + 0 0 140 1,-0.3 133,-0.0 2,-0.0 3,-0.0 0.562 360.0 139.1 95.5 21.4 8.0 3.5 21.7 3 3 A T > - 0 0 19 1,-0.1 4,-1.2 133,-0.1 -1,-0.3 -0.548 60.2-120.2 -81.9 154.4 7.6 6.5 19.4 4 4 A P H > S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.929 112.8 49.3 -71.4 -41.7 4.2 6.8 17.5 5 5 A L H > S+ 0 0 0 129,-0.7 4,-2.7 1,-0.2 5,-0.3 0.877 103.4 62.1 -64.3 -33.9 5.7 6.8 14.0 6 6 A E H > S+ 0 0 43 128,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.902 103.6 50.0 -54.1 -37.5 7.7 3.7 15.0 7 7 A K H X S+ 0 0 80 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.2 0.842 109.4 51.1 -75.7 -27.1 4.3 2.0 15.5 8 8 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.971 115.1 40.8 -65.0 -53.8 3.2 3.2 12.0 9 9 A L H X S+ 0 0 13 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.935 113.6 54.8 -63.4 -43.7 6.4 1.7 10.4 10 10 A T H X S+ 0 0 62 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.907 110.0 47.4 -49.5 -49.3 6.1 -1.4 12.7 11 11 A T H X S+ 0 0 36 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 114.4 46.1 -60.0 -48.7 2.5 -1.8 11.3 12 12 A M H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.884 116.4 43.7 -62.3 -43.9 3.7 -1.4 7.7 13 13 A V H X S+ 0 0 20 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.831 114.4 50.2 -74.6 -31.2 6.7 -3.8 8.0 14 14 A T H X S+ 0 0 89 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.931 113.2 45.6 -71.1 -44.8 4.7 -6.4 9.9 15 15 A T H < S+ 0 0 11 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.816 113.9 50.0 -67.8 -30.0 1.9 -6.3 7.2 16 16 A F H >X S+ 0 0 3 -4,-1.7 4,-2.6 -5,-0.2 3,-2.2 0.947 108.4 51.7 -68.9 -45.9 4.6 -6.5 4.5 17 17 A H H 3X S+ 0 0 90 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.723 96.0 71.1 -63.9 -19.5 6.3 -9.5 6.3 18 18 A K H 3< S+ 0 0 115 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.665 116.8 21.7 -65.0 -18.2 2.7 -11.1 6.3 19 19 A Y H <4 S+ 0 0 23 -3,-2.2 3,-0.3 -4,-0.2 -2,-0.2 0.611 132.2 39.0-122.0 -29.7 3.3 -11.5 2.4 20 20 A S H >< S+ 0 0 2 -4,-2.6 3,-2.5 6,-0.2 5,-0.5 0.879 100.2 72.0 -88.1 -37.6 7.2 -11.3 1.9 21 21 A G T 3< S+ 0 0 30 -4,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.272 85.3 70.3 -71.2 13.5 8.2 -13.4 5.0 22 22 A R T 3 S+ 0 0 148 -3,-0.3 -1,-0.3 3,-0.2 2,-0.1 0.605 105.8 33.1 -80.5 -27.1 6.9 -16.6 3.4 23 23 A E S < S- 0 0 120 -3,-2.5 -3,-0.0 2,-0.4 -4,-0.0 -0.344 103.5 -63.6-135.8-169.3 9.7 -16.6 0.8 24 24 A G S S+ 0 0 88 -2,-0.1 2,-0.3 2,-0.0 -3,-0.1 0.340 110.2 47.2 -80.3 6.0 13.4 -15.8 -0.1 25 25 A S - 0 0 36 -5,-0.5 -2,-0.4 3,-0.1 -3,-0.2 -0.982 50.4-173.8-144.5 135.1 13.2 -11.9 0.4 26 26 A K S S+ 0 0 45 -2,-0.3 -5,-0.2 -5,-0.1 -6,-0.2 0.532 90.4 47.5-107.8 -4.0 11.7 -9.9 3.3 27 27 A L S S+ 0 0 39 -7,-0.1 42,-0.8 -10,-0.0 2,-0.2 0.603 115.4 38.0-104.2 -19.5 12.2 -6.4 1.6 28 28 A T E +A 68 0A 29 40,-0.2 2,-0.2 41,-0.1 40,-0.2 -0.644 54.0 155.6-119.5 177.3 10.7 -7.3 -1.9 29 29 A L E -A 67 0A 18 38,-1.1 38,-1.8 -2,-0.2 2,-0.2 -0.907 49.3 -59.2-176.4-171.8 7.9 -9.4 -3.5 30 30 A S E >> -A 66 0A 35 -2,-0.2 4,-1.8 36,-0.2 3,-0.7 -0.547 38.4-121.3 -81.1 151.5 5.8 -9.3 -6.8 31 31 A R H 3> S+ 0 0 30 34,-2.1 4,-1.8 32,-0.3 29,-0.2 0.898 113.5 61.8 -51.5 -41.5 3.6 -6.4 -8.0 32 32 A K H 3> S+ 0 0 71 31,-2.8 4,-0.9 27,-0.2 -1,-0.2 0.863 106.4 41.7 -49.9 -46.9 0.7 -9.0 -8.0 33 33 A E H <> S+ 0 0 41 -3,-0.7 4,-2.8 30,-0.3 -1,-0.2 0.866 108.0 56.8 -84.9 -36.4 1.0 -9.7 -4.2 34 34 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.912 106.7 53.1 -53.9 -44.7 1.5 -6.0 -2.9 35 35 A K H X S+ 0 0 26 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.899 110.9 46.3 -55.6 -41.5 -1.8 -5.2 -4.7 36 36 A E H X S+ 0 0 59 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.925 108.8 54.9 -70.3 -45.8 -3.4 -8.1 -2.8 37 37 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 3,-0.5 0.924 107.8 50.9 -47.3 -54.3 -1.8 -6.9 0.5 38 38 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 111.9 44.1 -58.4 -51.8 -3.3 -3.4 0.1 39 39 A K H < S+ 0 0 67 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.688 120.5 42.7 -71.6 -19.1 -6.9 -4.6 -0.6 40 40 A K H < S+ 0 0 120 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.905 123.1 33.2 -82.4 -55.5 -6.7 -7.2 2.3 41 41 A E H < S+ 0 0 14 -4,-3.1 57,-1.3 1,-0.2 58,-0.6 0.626 122.7 49.0 -83.2 -13.5 -5.0 -5.1 5.1 42 42 A L S < S- 0 0 1 -4,-2.0 2,-0.7 -5,-0.4 3,-0.5 -0.875 70.1-152.6-130.3 103.0 -6.6 -1.7 4.0 43 43 A C + 0 0 49 51,-0.6 53,-0.1 -2,-0.4 -4,-0.1 -0.645 59.8 109.2 -69.7 111.2 -10.3 -1.4 3.4 44 44 A L > + 0 0 4 -2,-0.7 4,-2.1 -5,-0.1 2,-1.2 0.304 54.0 76.8-154.2 -37.0 -10.5 1.4 0.8 45 45 A G T 4 S+ 0 0 23 -3,-0.5 4,-0.1 1,-0.2 -2,-0.0 -0.466 101.8 41.8 -89.7 54.3 -11.5 -0.2 -2.5 46 46 A E T 4 S+ 0 0 96 -2,-1.2 -1,-0.2 -3,-0.0 3,-0.1 0.041 116.1 46.5-167.7 -32.4 -15.2 -0.5 -1.5 47 47 A M T 4 S+ 0 0 101 -3,-0.1 2,-0.3 1,-0.1 -2,-0.2 0.744 127.6 29.0 -71.7 -35.2 -15.5 2.9 0.2 48 48 A K < + 0 0 60 -4,-2.1 -4,-0.1 1,-0.1 -1,-0.1 -0.849 52.4 162.5-136.3 167.8 -13.7 4.3 -3.0 49 49 A E > + 0 0 101 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.466 45.5 94.5-151.5 -70.9 -13.3 3.5 -6.7 50 50 A S T 4 S- 0 0 76 1,-0.2 2,-0.9 2,-0.2 -1,-0.2 -0.253 109.1 -7.0 -60.9 124.8 -12.0 6.3 -9.1 51 51 A S T >> S+ 0 0 81 1,-0.1 4,-2.5 -3,-0.1 3,-0.8 -0.303 122.6 78.6 81.6 -43.5 -8.2 6.1 -9.6 52 52 A I H 3> S+ 0 0 15 -2,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.871 89.2 58.4 -57.2 -36.5 -7.9 3.3 -6.9 53 53 A D H 3X S+ 0 0 94 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.756 109.9 40.5 -66.2 -32.0 -9.1 0.9 -9.6 54 54 A D H <> S+ 0 0 78 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.899 110.4 56.7 -81.7 -42.8 -6.2 1.8 -12.0 55 55 A L H X S+ 0 0 34 -4,-2.5 4,-0.9 2,-0.2 3,-0.2 0.909 108.6 49.8 -57.3 -39.8 -3.5 1.8 -9.2 56 56 A M H >X S+ 0 0 20 -4,-2.2 4,-1.5 1,-0.2 3,-1.0 0.970 115.5 41.4 -50.7 -61.0 -4.6 -1.8 -8.4 57 57 A K H 3< S+ 0 0 92 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.648 103.8 71.1 -65.2 -19.2 -4.4 -2.8 -12.1 58 58 A S H 3< S+ 0 0 39 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.702 102.3 41.2 -82.0 -20.0 -1.1 -0.7 -12.4 59 59 A L H XX S+ 0 0 8 -3,-1.0 4,-2.6 -4,-0.9 3,-1.5 0.899 117.8 47.6 -77.2 -51.1 0.9 -3.2 -10.3 60 60 A D T 3< S+ 0 0 60 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.511 90.3 86.8 -66.5 -4.0 -0.9 -6.1 -12.1 61 61 A K T 34 S+ 0 0 115 -4,-0.3 -1,-0.3 -5,-0.1 -3,-0.1 0.738 120.2 2.4 -67.5 -27.3 -0.1 -4.3 -15.4 62 62 A N T <4 S+ 0 0 109 -3,-1.5 2,-2.3 -4,-0.1 -2,-0.2 0.460 96.6 168.9-131.5 -31.5 3.3 -6.2 -15.4 63 63 A S < + 0 0 7 -4,-2.6 -31,-2.8 1,-0.2 -30,-0.3 -0.244 54.2 61.1 73.1 -54.4 2.6 -8.1 -12.2 64 64 A D S S+ 0 0 119 -2,-2.3 2,-0.3 -33,-0.2 -1,-0.2 0.129 81.9 94.2-114.0 18.3 5.2 -10.9 -11.7 65 65 A Q S S- 0 0 97 1,-0.1 -34,-2.1 -36,-0.0 -33,-0.2 -0.696 81.3 -94.3 -93.4 160.3 8.3 -8.6 -11.5 66 66 A E E -A 30 0A 134 -2,-0.3 2,-0.3 -36,-0.2 -36,-0.2 -0.296 33.9-173.6 -80.7 160.4 9.7 -7.5 -8.2 67 67 A I E -A 29 0A 5 -38,-1.8 -38,-1.1 -2,-0.1 2,-0.2 -0.971 13.4-141.1-139.6 148.5 9.1 -4.3 -6.1 68 68 A D E >> -A 28 0A 41 -2,-0.3 3,-1.4 -40,-0.2 4,-1.0 -0.566 45.8 -81.6 -99.7 175.2 10.6 -2.9 -2.9 69 69 A F H 3> S+ 0 0 12 -42,-0.8 4,-2.6 1,-0.3 5,-0.1 0.611 121.2 71.2 -52.6 -19.1 8.9 -1.1 0.1 70 70 A K H 3> S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.949 98.2 45.8 -62.4 -52.0 9.1 2.2 -1.9 71 71 A E H <> S+ 0 0 66 -3,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.787 114.0 52.5 -69.7 -24.0 6.4 1.1 -4.4 72 72 A Y H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.1 -2,-0.2 0.967 114.3 39.5 -66.4 -54.7 4.4 -0.1 -1.4 73 73 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.858 112.8 52.8 -76.1 -33.8 4.6 3.3 0.5 74 74 A V H X S+ 0 0 35 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.876 113.0 46.9 -63.3 -36.9 4.1 5.6 -2.4 75 75 A F H X S+ 0 0 8 -4,-0.9 4,-2.9 -5,-0.3 5,-0.3 0.950 112.5 48.1 -73.4 -46.4 0.9 3.7 -3.3 76 76 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 118.6 42.5 -53.9 -44.9 -0.4 3.7 0.3 77 77 A T H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.956 115.3 47.3 -67.3 -52.9 0.4 7.5 0.4 78 78 A M H X S+ 0 0 79 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.868 113.1 49.8 -57.8 -41.7 -1.0 8.3 -3.1 79 79 A L H >< S+ 0 0 5 -4,-2.9 3,-1.2 2,-0.2 -1,-0.2 0.923 107.9 53.5 -66.2 -42.4 -4.2 6.3 -2.3 80 80 A C H >< S+ 0 0 5 -4,-2.1 3,-2.0 -5,-0.3 4,-0.5 0.927 103.6 57.1 -55.4 -43.1 -4.5 8.2 1.0 81 81 A M H 3< S+ 0 0 75 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.713 93.6 69.8 -62.7 -19.7 -4.4 11.5 -1.0 82 82 A A T << S+ 0 0 31 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.432 117.6 19.2 -79.5 -3.4 -7.4 10.3 -3.0 83 83 A Y S X S+ 0 0 24 -3,-2.0 3,-0.8 -4,-0.2 -1,-0.2 0.115 89.7 110.7-145.7 16.9 -9.7 10.7 0.1 84 84 A N G > + 0 0 6 -4,-0.5 3,-2.2 -3,-0.3 -3,-0.1 0.268 39.1 112.1 -81.4 14.6 -7.6 13.1 2.3 85 85 A D G > + 0 0 110 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.703 57.8 82.1 -60.7 -14.0 -10.2 15.8 1.6 86 86 A F G < S+ 0 0 169 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.566 95.5 45.5 -56.7 -11.1 -10.9 15.3 5.4 87 87 A F G < S+ 0 0 46 -3,-2.2 -1,-0.2 33,-0.0 32,-0.2 0.202 98.1 88.9-119.7 10.9 -7.8 17.7 5.7 88 88 A L < - 0 0 51 -3,-1.6 3,-0.1 1,-0.1 30,-0.0 -0.067 60.8-149.3 -88.6-168.0 -8.7 20.4 3.1 89 89 A E S S- 0 0 113 3,-0.7 2,-0.2 1,-0.5 -1,-0.1 0.396 77.5 -19.2-124.7 -16.8 -10.8 23.7 3.5 90 90 A D S S- 0 0 109 2,-0.5 -1,-0.5 -5,-0.0 2,-0.1 -0.823 104.2 -46.5 178.5-177.6 -12.3 23.9 0.0 91 91 A N 0 0 160 -2,-0.2 -6,-0.0 -3,-0.1 -3,-0.0 0.207 360.0 360.0 -69.3 14.5 -11.6 22.5 -3.5 92 92 A K 0 0 139 -2,-0.1 -3,-0.7 0, 0.0 -2,-0.5 -0.843 360.0 360.0-159.8 360.0 -7.8 23.3 -3.2 93 !* 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 94 1 B M 0 0 98 0, 0.0 2,-1.6 0, 0.0 -51,-0.6 0.000 360.0 360.0 360.0 -68.0 -10.5 2.3 6.7 95 2 B E + 0 0 111 -53,-0.1 -53,-0.1 4,-0.1 3,-0.0 -0.236 360.0 103.5 -76.0 83.5 -10.6 0.1 9.9 96 3 B T S >> S- 0 0 36 -2,-1.6 3,-1.3 -55,-0.2 4,-0.7 -0.819 87.6 -88.6-141.0 164.8 -8.2 -2.8 9.2 97 4 B P T >4 S+ 0 0 73 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.833 121.2 54.5 -63.6 -37.5 -4.6 -3.0 10.6 98 5 B L T >> S+ 0 0 0 -57,-1.3 4,-1.1 1,-0.2 3,-1.0 0.746 95.4 69.9 -70.3 -21.5 -2.7 -1.2 7.9 99 6 B E H <> S+ 0 0 14 -3,-1.3 4,-2.9 -58,-0.6 5,-0.3 0.908 86.8 65.9 -55.3 -41.0 -4.9 1.9 8.3 100 7 B K H S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.4 -1,-0.2 0.932 113.7 41.1 -71.0 -49.7 -0.1 3.3 10.0 102 9 B L H X S+ 0 0 4 -4,-1.1 4,-2.8 -3,-0.2 5,-0.3 0.956 112.8 54.9 -64.2 -50.8 -1.7 5.9 7.5 103 10 B T H X S+ 0 0 41 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.887 111.2 46.5 -44.0 -50.5 -3.8 7.4 10.3 104 11 B T H X S+ 0 0 34 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.966 112.3 48.9 -59.5 -54.0 -0.6 7.9 12.3 105 12 B M H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.806 115.2 43.7 -59.2 -37.5 1.3 9.4 9.3 106 13 B V H X S+ 0 0 11 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.858 113.8 51.9 -73.8 -35.1 -1.6 11.9 8.5 107 14 B T H X S+ 0 0 93 -4,-2.2 4,-0.6 -5,-0.3 -2,-0.2 0.909 116.4 39.2 -66.7 -44.8 -2.0 12.7 12.3 108 15 B T H >< S+ 0 0 19 -4,-2.7 3,-1.0 2,-0.2 4,-0.3 0.950 116.1 49.7 -71.6 -49.6 1.7 13.6 12.7 109 16 B F H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 3,-1.8 0.900 107.3 54.8 -59.2 -44.0 2.2 15.3 9.3 110 17 B H H 3X S+ 0 0 58 -4,-2.1 4,-0.7 1,-0.3 -1,-0.3 0.758 98.3 65.6 -61.3 -22.7 -0.9 17.6 9.9 111 18 B K H << S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.580 116.1 25.9 -75.2 -9.9 0.8 18.7 13.3 112 19 B Y H <4 S+ 0 0 25 -3,-1.8 3,-0.2 -4,-0.3 -2,-0.2 0.561 127.1 43.2-128.4 -20.4 3.6 20.4 11.3 113 20 B S H >< S+ 0 0 3 -4,-2.4 3,-2.4 6,-0.2 5,-0.5 0.913 105.7 63.8 -78.7 -52.3 2.0 21.3 7.9 114 21 B G T 3< S+ 0 0 34 -4,-0.7 -1,-0.1 -5,-0.3 5,-0.1 0.193 80.0 83.4 -67.4 18.7 -1.3 22.5 9.5 115 22 B R T 3 S+ 0 0 129 -2,-0.5 -1,-0.3 -3,-0.2 2,-0.1 0.793 102.0 26.7 -69.5 -41.5 0.7 25.3 11.2 116 23 B E S < S- 0 0 114 -3,-2.4 2,-0.6 2,-0.4 -4,-0.0 -0.427 110.9 -64.5-120.6-173.5 0.3 27.3 7.9 117 24 B G S S+ 0 0 82 -2,-0.1 2,-0.3 1,-0.1 -3,-0.1 0.126 112.9 63.1 -73.6 22.8 -2.0 27.7 4.8 118 25 B S - 0 0 39 -2,-0.6 -2,-0.4 -5,-0.5 -3,-0.2 -0.898 51.9-176.9-143.4 116.3 -1.3 24.1 3.5 119 26 B K S S+ 0 0 41 -2,-0.3 -5,-0.3 -32,-0.2 -6,-0.2 0.378 90.5 45.8 -91.0 6.1 -2.4 21.0 5.5 120 27 B L S S+ 0 0 40 -7,-0.2 42,-0.8 1,-0.1 2,-0.3 0.499 111.9 46.1-124.7 -14.6 -0.8 18.7 2.8 121 28 B T E +B 161 0B 37 40,-0.2 2,-0.2 41,-0.1 40,-0.2 -0.824 56.0 168.8-124.1 166.0 2.7 20.5 2.1 122 29 B L E -B 160 0B 9 38,-1.8 38,-2.1 -2,-0.3 -9,-0.1 -0.942 38.2 -83.8-163.2 166.4 5.4 21.9 4.4 123 30 B S E > -B 159 0B 20 -2,-0.2 4,-2.3 36,-0.2 36,-0.3 -0.307 37.5-108.7 -74.8 168.9 9.1 23.2 4.0 124 31 B R H > S+ 0 0 34 34,-2.1 4,-1.4 31,-0.3 33,-0.2 0.834 125.2 56.4 -63.0 -27.9 12.3 21.0 4.0 125 32 B K H > S+ 0 0 91 31,-1.3 4,-1.5 33,-0.3 -1,-0.2 0.928 106.9 48.6 -63.0 -43.3 12.9 22.7 7.4 126 33 B E H > S+ 0 0 30 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.904 107.3 52.8 -67.6 -43.2 9.5 21.3 8.6 127 34 B L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.910 108.9 52.1 -58.4 -41.0 10.0 17.7 7.4 128 35 B K H X S+ 0 0 58 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.878 112.4 44.7 -59.4 -41.3 13.3 17.7 9.3 129 36 B E H X S+ 0 0 74 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.954 112.1 52.9 -67.6 -49.9 11.5 18.9 12.5 130 37 B L H >X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-1.5 0.934 110.9 44.8 -47.8 -59.3 8.6 16.3 12.0 131 38 B I H 3X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.883 109.0 54.3 -63.6 -43.3 10.9 13.3 11.7 132 39 B K H 3< S+ 0 0 91 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.502 116.7 40.0 -71.6 -6.2 13.2 14.1 14.7 133 40 B K H << S+ 0 0 116 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.583 114.4 52.0-105.3 -27.2 10.1 14.3 16.9 134 41 B E H < S+ 0 0 2 -4,-2.1 -129,-0.7 1,-0.2 -128,-0.6 0.783 123.8 23.1 -73.8 -33.5 8.3 11.3 15.3 135 42 B L S < S- 0 0 21 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 -0.994 75.2-127.2-131.4 143.6 11.4 9.1 15.9 136 43 B C + 0 0 53 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.782 37.3 164.3 -80.2 130.2 14.4 9.2 18.2 137 44 B L + 0 0 12 -2,-0.4 -2,-0.1 -5,-0.2 5,-0.0 -0.739 42.6 84.8-154.9 98.3 17.6 9.0 16.1 138 45 B G S S+ 0 0 64 -2,-0.2 4,-0.1 4,-0.0 -1,-0.0 0.137 94.2 42.6-178.2 21.2 20.8 10.0 17.8 139 46 B E S S+ 0 0 103 2,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.336 108.6 51.1-162.9 -28.5 21.8 6.7 19.5 140 47 B M S S- 0 0 74 1,-0.3 2,-0.1 -4,-0.0 -3,-0.1 0.098 114.7 -10.7 -93.3-146.5 21.0 4.0 16.8 141 48 B K S S- 0 0 68 35,-0.1 -1,-0.3 1,-0.1 2,-0.2 -0.373 79.8-177.3 -58.4 129.9 22.3 4.0 13.2 142 49 B E + 0 0 97 -3,-0.1 2,-2.4 -2,-0.1 -1,-0.1 -0.580 40.8 27.3-119.5 171.2 23.9 7.5 12.4 143 50 B S S >> S+ 0 0 76 1,-0.3 4,-1.4 -2,-0.2 3,-1.2 -0.315 108.9 63.1 81.3 -57.7 25.5 9.6 9.7 144 51 B S T 34 S+ 0 0 96 -2,-2.4 4,-0.5 1,-0.2 -1,-0.3 0.611 100.2 62.1 -63.3 -13.3 23.9 8.0 6.6 145 52 B I T 3> S+ 0 0 9 2,-0.1 4,-1.0 3,-0.1 -1,-0.2 0.660 99.7 53.3 -83.6 -20.3 20.8 9.4 8.5 146 53 B D H <> S+ 0 0 63 -3,-1.2 4,-3.2 2,-0.2 5,-0.3 0.912 97.2 59.4 -82.4 -41.9 22.2 13.0 8.1 147 54 B D H X S+ 0 0 91 -4,-1.4 4,-1.8 1,-0.2 -2,-0.1 0.844 107.2 51.6 -62.3 -24.2 22.8 13.1 4.2 148 55 B L H 4 S+ 0 0 32 -4,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.977 115.5 39.4 -61.9 -53.9 19.0 12.4 3.9 149 56 B M H >X S+ 0 0 8 -4,-1.0 4,-2.1 1,-0.2 3,-0.8 0.801 114.5 54.5 -65.4 -30.0 18.3 15.4 6.4 150 57 B K H 3X S+ 0 0 71 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.816 99.0 61.7 -71.2 -36.6 21.1 17.3 4.6 151 58 B S H 3< S+ 0 0 48 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.479 105.4 47.3 -66.1 -4.5 19.2 16.6 1.4 152 59 B L H X4 S+ 0 0 5 -3,-0.8 3,-1.4 2,-0.1 -2,-0.2 0.782 111.4 48.7 -96.2 -45.6 16.4 18.7 3.1 153 60 B D H >< S+ 0 0 57 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.841 96.0 77.2 -50.4 -37.9 18.9 21.4 4.0 154 61 B K T 3< S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.682 120.0 8.6 -49.7 -29.9 20.1 21.3 0.3 155 62 B N T X S+ 0 0 85 -3,-1.4 3,-2.4 3,-0.1 -31,-0.3 -0.233 90.2 167.6-141.9 37.0 17.0 23.3 -0.8 156 63 B S T < + 0 0 26 -3,-1.9 -31,-1.3 1,-0.3 -32,-0.2 0.451 64.8 47.0 -53.0 -20.3 15.8 24.1 2.7 157 64 B D T 3 S+ 0 0 123 -33,-0.2 -1,-0.3 -34,-0.2 2,-0.2 0.296 91.5 95.3-113.6 2.4 13.1 26.8 2.1 158 65 B Q S < S- 0 0 108 -3,-2.4 -34,-2.1 -6,-0.2 -33,-0.3 -0.548 81.0 -97.0 -78.8 161.7 11.3 25.1 -0.7 159 66 B E E -B 123 0B 125 -36,-0.3 2,-0.3 -2,-0.2 -36,-0.2 -0.231 28.1-157.0 -77.3 165.5 8.2 22.9 0.0 160 67 B I E -B 122 0B 2 -38,-2.1 -38,-1.8 -37,-0.1 2,-0.2 -0.952 10.7-141.9-138.1 145.1 7.8 19.1 0.5 161 68 B D E > -B 121 0B 32 -2,-0.3 4,-2.0 -40,-0.2 -40,-0.2 -0.607 34.1 -93.9-105.6 172.4 4.7 16.9 -0.0 162 69 B F H > S+ 0 0 8 -42,-0.8 4,-1.6 1,-0.2 -41,-0.1 0.670 122.5 52.4 -50.8 -25.5 3.2 13.8 1.8 163 70 B K H > S+ 0 0 87 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.897 104.5 50.5 -91.4 -44.5 5.0 11.4 -0.7 164 71 B E H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 113.8 52.0 -50.4 -43.4 8.6 12.8 -0.2 165 72 B Y H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.944 111.6 42.3 -61.2 -52.4 7.7 12.4 3.5 166 73 B S H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.855 116.3 47.9 -70.1 -34.3 6.6 8.7 3.2 167 74 B V H X S+ 0 0 44 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.823 110.1 53.0 -74.9 -30.4 9.5 7.7 0.8 168 75 B F H X S+ 0 0 12 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.919 113.8 42.8 -65.5 -44.6 12.1 9.4 3.1 169 76 B L H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 116.3 47.9 -69.5 -39.8 10.7 7.4 6.1 170 77 B T H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.951 114.1 47.5 -59.0 -51.6 10.5 4.2 4.0 171 78 B M H X S+ 0 0 87 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.909 113.8 47.0 -56.3 -48.2 14.1 4.9 2.7 172 79 B L H < S+ 0 0 5 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.864 111.8 50.2 -67.6 -36.6 15.4 5.6 6.3 173 80 B C H >X S+ 0 0 17 -4,-2.4 4,-1.3 1,-0.2 3,-1.0 0.929 113.9 45.2 -65.1 -43.1 13.6 2.4 7.7 174 81 B M H 3< S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.729 104.1 67.1 -70.8 -22.3 15.2 0.3 4.9 175 82 B A T 3< S+ 0 0 63 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.515 119.1 14.6 -75.7 -10.6 18.6 2.1 5.6 176 83 B Y T X4 S+ 0 0 19 -3,-1.0 3,-0.5 -4,-0.3 2,-0.2 0.376 91.1 101.5-151.1 7.7 19.0 0.5 9.1 177 84 B N G >< + 0 0 27 -4,-1.3 3,-2.0 1,-0.2 4,-0.2 -0.273 26.5 136.3 -95.8 53.5 16.6 -2.5 9.6 178 85 B D G > + 0 0 89 1,-0.2 3,-2.3 -2,-0.2 -1,-0.2 0.814 64.9 81.2 -42.7 -32.5 19.2 -5.1 8.9 179 86 B F G < S+ 0 0 142 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.578 89.5 48.5 -53.7 -17.0 17.1 -6.3 12.0 180 87 B F G < S+ 0 0 67 -3,-2.0 -1,-0.3 -153,-0.0 -2,-0.2 0.452 103.3 79.1 -96.6 -10.2 14.5 -7.6 9.5 181 88 B L S < S- 0 0 47 -3,-2.3 3,-0.1 -4,-0.2 -3,-0.1 0.322 80.2-117.1 -93.4-151.8 16.9 -9.5 7.2 182 89 B E - 0 0 91 1,-0.8 2,-0.2 3,-0.2 -3,-0.1 0.477 56.8-105.4-118.1 -15.4 18.8 -12.8 7.1 183 90 B D S S+ 0 0 119 -5,-0.2 -1,-0.8 2,-0.2 2,-0.2 -0.474 86.3 84.2 97.8 179.2 22.4 -11.5 7.1 184 91 B N 0 0 127 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.117 360.0 360.0 112.5 -20.7 24.3 -11.7 3.9 185 92 B K 0 0 182 -2,-0.2 -2,-0.2 0, 0.0 -3,-0.2 -0.918 360.0 360.0-176.2 360.0 23.8 -8.7 1.3