==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-FEB-05 1YUT . COMPND 2 MOLECULE: S100 CALCIUM-BINDING PROTEIN A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,A.FANTONI,L.TENORI, . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 70.4 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 . 6 3.1 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 . 1 0.5 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 . 1 0.5 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 . 16 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 2 1 0 1 0 0 0 0 0 3 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 . 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 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 1 A M 0 0 231 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.0 7.9 -21.2 -20.4 2 2 A A + 0 0 71 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.314 360.0 82.7 -62.0 172.7 8.8 -17.7 -20.4 3 3 A A S S- 0 0 92 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.894 74.9-172.1 71.6 55.6 5.8 -16.0 -18.8 4 4 A E - 0 0 123 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.644 21.3-120.3 -81.6 130.5 7.4 -16.9 -15.5 5 5 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.427 26.4-148.7 -69.7 151.0 5.4 -16.3 -12.3 6 6 A L - 0 0 89 1,-0.2 2,-0.1 -2,-0.1 0, 0.0 -0.440 37.2 -64.1-109.1 179.8 6.9 -13.8 -9.7 7 7 A T > - 0 0 37 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.404 52.9-105.0 -70.1 154.6 6.6 -13.9 -5.9 8 8 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.847 123.2 46.8 -42.8 -48.3 3.1 -13.3 -4.4 9 9 A L H > S+ 0 0 2 135,-0.3 4,-3.1 2,-0.2 5,-0.3 0.935 110.5 51.7 -69.2 -43.3 4.0 -9.7 -3.4 10 10 A E H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.950 110.8 50.0 -49.4 -54.8 5.6 -8.9 -6.9 11 11 A E H X S+ 0 0 96 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.931 114.7 43.6 -48.6 -53.2 2.3 -10.2 -8.5 12 12 A S H X S+ 0 0 9 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.877 113.0 48.7 -72.3 -37.8 0.2 -8.0 -6.2 13 13 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.946 113.6 50.2 -64.6 -41.3 2.3 -4.8 -6.4 14 14 A E H X S+ 0 0 81 -4,-3.0 4,-3.1 -5,-0.3 5,-0.3 0.976 106.4 52.8 -58.3 -56.1 2.3 -5.2 -10.2 15 15 A T H X S+ 0 0 62 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.853 116.9 39.1 -53.6 -38.6 -1.5 -5.7 -10.6 16 16 A V H X S+ 0 0 10 -4,-1.6 4,-3.2 2,-0.2 -1,-0.3 0.900 114.5 54.4 -75.9 -39.2 -2.1 -2.5 -8.6 17 17 A V H X S+ 0 0 17 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.934 109.3 47.1 -59.7 -47.8 0.8 -0.6 -10.3 18 18 A T H X S+ 0 0 68 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.950 113.6 48.5 -59.8 -45.1 -0.5 -1.4 -13.8 19 19 A T H X S+ 0 0 16 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.962 113.8 47.1 -58.1 -52.9 -4.0 -0.3 -12.7 20 20 A F H >X S+ 0 0 5 -4,-3.2 4,-3.1 1,-0.2 3,-0.8 0.939 111.3 52.9 -44.2 -55.8 -2.4 2.9 -11.2 21 21 A F H 3X S+ 0 0 81 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.874 100.7 56.7 -60.9 -45.2 -0.4 3.4 -14.4 22 22 A T H 3< S+ 0 0 61 -4,-2.6 -1,-0.3 1,-0.2 4,-0.2 0.840 117.3 38.1 -60.4 -28.3 -3.4 3.3 -16.9 23 23 A F H XX S+ 0 0 5 -4,-1.3 3,-1.7 -3,-0.8 4,-0.5 0.875 109.8 61.0 -80.3 -40.9 -4.9 6.1 -14.8 24 24 A A H 3< S+ 0 0 0 -4,-3.1 7,-0.7 1,-0.3 3,-0.2 0.838 108.2 45.7 -54.0 -36.1 -1.5 7.8 -14.3 25 25 A R T 3< S+ 0 0 132 -4,-2.4 -1,-0.3 5,-0.3 -2,-0.2 0.564 86.3 93.0 -80.1 -17.5 -1.2 8.2 -18.1 26 26 A Q T <4 S+ 0 0 67 -3,-1.7 2,-0.2 -4,-0.2 -1,-0.2 0.898 100.2 8.6 -44.2 -57.2 -4.8 9.5 -18.6 27 27 A E S < S- 0 0 64 -4,-0.5 5,-0.0 1,-0.3 7,-0.0 -0.698 117.8 -27.7-116.3 172.1 -3.8 13.2 -18.4 28 28 A G S S+ 0 0 61 -2,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.347 113.5 24.1 -21.6 134.5 -0.4 15.0 -18.3 29 29 A R S S- 0 0 176 1,-0.2 2,-2.0 2,-0.1 -2,-0.2 0.923 73.0-129.8 62.0 103.2 2.6 13.1 -16.8 30 30 A K S S+ 0 0 145 1,-0.2 -5,-0.3 -5,-0.1 -1,-0.2 -0.443 104.3 44.9 -74.9 61.1 2.4 9.3 -16.9 31 31 A D S S+ 0 0 26 -2,-2.0 2,-0.3 -7,-0.7 -1,-0.2 0.025 100.5 68.7-159.3 -50.9 3.3 9.1 -13.1 32 32 A S - 0 0 1 40,-0.2 2,-0.6 -8,-0.1 -1,-0.5 -0.590 66.9-145.1 -83.3 135.9 1.2 11.7 -11.5 33 33 A L B -A 71 0A 0 38,-2.4 38,-3.2 -2,-0.3 -9,-0.1 -0.898 19.7-154.4 -87.7 120.5 -2.6 11.5 -11.1 34 34 A S > - 0 0 37 -2,-0.6 4,-3.1 36,-0.2 5,-0.2 -0.265 40.5 -78.8 -82.5 179.5 -4.0 15.0 -11.4 35 35 A V H > S+ 0 0 67 34,-0.5 4,-2.8 2,-0.2 5,-0.2 0.910 131.4 36.1 -50.8 -58.8 -7.4 15.9 -9.8 36 36 A N H > S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.981 117.2 54.2 -59.1 -56.1 -9.8 14.3 -12.5 37 37 A E H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.838 111.8 45.8 -37.6 -50.8 -7.3 11.4 -13.1 38 38 A F H >X S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 4,-1.0 0.965 110.6 51.3 -64.3 -53.3 -7.4 10.7 -9.3 39 39 A K H 3X S+ 0 0 66 -4,-2.8 4,-2.9 1,-0.3 5,-0.3 0.856 99.7 66.4 -54.7 -37.6 -11.2 10.9 -9.1 40 40 A E H 3X S+ 0 0 50 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.845 96.7 55.5 -52.7 -36.2 -11.5 8.5 -12.0 41 41 A L H 4 S+ 0 0 59 2,-0.1 3,-0.8 3,-0.1 -2,-0.1 0.922 113.9 56.3 -78.7 -47.9 -17.6 -0.2 -1.6 49 49 A L T 34 S+ 0 0 2 1,-0.3 2,-0.7 -7,-0.1 -1,-0.1 0.946 125.8 13.5 -54.5 -67.3 -14.2 0.6 -0.0 50 50 A L T 3< S- 0 0 26 -4,-0.7 2,-2.5 -8,-0.1 -1,-0.3 -0.774 77.0-165.9-111.3 78.0 -14.3 4.4 0.2 51 51 A K < + 0 0 173 -3,-0.8 -3,-0.1 -2,-0.7 -2,-0.0 -0.423 61.3 92.0 -70.1 76.3 -18.0 5.0 -0.4 52 52 A D + 0 0 51 -2,-2.5 -1,-0.1 2,-0.1 -9,-0.1 -0.446 29.3 156.1-175.9 79.0 -17.5 8.7 -1.0 53 53 A V S S+ 0 0 65 -11,-0.1 3,-0.2 -6,-0.1 -2,-0.1 0.076 74.5 71.4 -86.8 18.4 -17.0 9.7 -4.6 54 54 A G S S+ 0 0 52 1,-0.1 2,-2.5 2,-0.1 3,-0.4 0.847 96.3 36.8 -92.0 -79.2 -18.3 13.1 -3.4 55 55 A S > + 0 0 42 1,-0.2 4,-1.2 2,-0.1 3,-0.2 -0.328 66.4 140.5 -81.2 58.9 -15.7 14.7 -1.2 56 56 A L H > + 0 0 6 -2,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.817 67.1 69.4 -66.0 -29.8 -12.7 13.4 -3.2 57 57 A D H > S+ 0 0 76 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.908 95.9 51.8 -51.7 -48.1 -11.3 16.9 -2.5 58 58 A E H > S+ 0 0 100 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.950 112.0 45.0 -56.0 -52.8 -10.9 15.9 1.2 59 59 A K H X S+ 0 0 31 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.959 112.5 52.9 -54.9 -52.1 -9.0 12.7 0.1 60 60 A M H >X S+ 0 0 14 -4,-3.2 4,-3.1 1,-0.2 3,-0.5 0.926 112.4 43.2 -50.5 -55.1 -7.0 14.8 -2.4 61 61 A K H 3< S+ 0 0 106 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.4 51.1 -58.9 -42.8 -5.9 17.3 0.3 62 62 A S H 3< S+ 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.783 121.0 35.3 -63.2 -30.2 -5.3 14.5 2.8 63 63 A L H << S+ 0 0 3 -4,-2.2 2,-2.2 -3,-0.5 -2,-0.2 0.930 107.5 60.5 -86.7 -64.0 -3.1 12.8 0.2 64 64 A D >< + 0 0 1 -4,-3.1 3,-2.1 1,-0.2 -1,-0.2 -0.459 63.1 177.1 -75.1 74.3 -1.3 15.6 -1.8 65 65 A V T 3 S+ 0 0 105 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.0 0.801 81.6 45.8 -49.6 -38.0 0.6 17.0 1.3 66 66 A N T 3 S- 0 0 87 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.541 101.5-138.0 -84.4 -9.9 2.3 19.6 -1.0 67 67 A Q < + 0 0 119 -3,-2.1 -2,-0.1 -7,-0.2 4,-0.1 0.897 54.9 142.1 48.7 52.2 -1.0 20.5 -2.8 68 68 A D - 0 0 63 2,-0.3 -1,-0.1 -34,-0.0 3,-0.1 0.510 68.7-118.6 -89.1 -10.3 0.7 20.6 -6.3 69 69 A S S S+ 0 0 49 1,-0.2 -34,-0.5 -5,-0.1 2,-0.4 0.723 87.3 101.5 67.0 27.4 -2.5 18.9 -7.8 70 70 A E - 0 0 24 -36,-0.2 2,-1.2 -35,-0.1 -2,-0.3 -0.953 61.5-155.5-131.9 117.8 -0.3 16.0 -8.9 71 71 A L B -A 33 0A 0 -38,-3.2 -38,-2.4 -2,-0.4 -40,-0.1 -0.800 25.1-153.1 -84.3 92.8 -0.4 12.8 -6.8 72 72 A K >> - 0 0 75 -2,-1.2 4,-3.0 -40,-0.3 3,-0.8 -0.227 36.8 -85.9 -52.5 162.0 3.0 11.5 -7.9 73 73 A F H 3> S+ 0 0 16 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.849 132.4 41.0 -38.1 -58.4 3.4 7.6 -7.8 74 74 A N H 3> S+ 0 0 74 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.800 116.4 49.7 -68.1 -31.5 4.4 7.6 -4.1 75 75 A E H X4 S+ 0 0 17 -3,-0.8 3,-1.2 2,-0.2 4,-0.4 0.969 113.7 44.8 -70.4 -54.1 1.8 10.3 -3.2 76 76 A Y H >< S+ 0 0 8 -4,-3.0 3,-2.2 1,-0.3 4,-0.5 0.921 102.5 67.9 -48.5 -51.4 -1.0 8.4 -5.0 77 77 A W H >X S+ 0 0 12 -4,-2.8 3,-1.4 -5,-0.4 4,-0.8 0.786 82.7 75.3 -43.1 -37.8 0.3 5.2 -3.3 78 78 A R H XX S+ 0 0 73 -3,-1.2 3,-1.8 -4,-0.8 4,-1.4 0.865 87.2 61.2 -39.9 -49.8 -0.9 6.7 0.0 79 79 A L H <> S+ 0 0 3 -3,-2.2 4,-2.8 -4,-0.4 3,-0.3 0.875 94.9 60.6 -46.8 -45.1 -4.5 5.8 -1.0 80 80 A I H <> S+ 0 0 17 -3,-1.4 4,-2.9 -4,-0.5 -1,-0.3 0.780 104.3 51.3 -60.5 -25.6 -3.6 2.1 -1.2 81 81 A G H X S+ 0 0 45 -4,-2.0 4,-3.2 -5,-0.1 3,-2.0 0.962 110.2 52.1 -75.1 -62.2 -6.4 -0.1 6.2 86 86 A E H 3X S+ 0 0 14 -4,-3.2 4,-2.9 1,-0.3 -2,-0.2 0.823 99.5 63.1 -44.3 -48.9 -10.2 0.4 5.5 87 87 A I H 3< S+ 0 0 9 -4,-2.8 15,-2.4 1,-0.2 -1,-0.3 0.821 122.7 21.9 -51.6 -33.3 -10.7 -3.3 4.4 88 88 A R H <4 S+ 0 0 51 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.2 0.852 136.6 35.8 -89.4 -53.4 -9.7 -4.2 8.0 89 89 A K H >< S+ 0 0 75 -4,-3.2 3,-3.3 1,-0.2 -3,-0.2 0.614 71.4 148.6 -64.4 -25.1 -10.5 -0.9 9.8 90 90 A K T 3< S- 0 0 37 -4,-2.9 -1,-0.2 1,-0.3 6,-0.2 0.201 86.2 -28.5 -34.2 -66.9 -13.4 0.2 8.0 91 91 A K B >> S+B 95 0B 97 4,-1.3 3,-2.5 -3,-0.1 4,-2.4 -0.279 74.5 170.5-132.5 46.9 -15.3 2.1 10.7 92 92 A D T <4 S+ 0 0 53 -3,-3.3 4,-0.1 1,-0.3 -2,-0.1 -0.358 72.4 58.6 -58.9 73.3 -14.1 0.1 13.8 93 93 A L T 34 S- 0 0 147 -2,-2.1 -1,-0.3 0, 0.0 3,-0.1 0.040 129.9 -0.5-175.9 -51.7 -15.7 2.7 16.1 94 94 A K T <4 S+ 0 0 150 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.623 123.1 62.1-118.6 -43.3 -19.4 2.5 15.0 95 95 A I B < -B 91 0B 87 -4,-2.4 -4,-1.3 1,-0.1 -1,-0.2 -0.949 65.7-157.9-139.5 111.0 -19.5 -0.1 12.2 96 96 A R - 0 0 175 -2,-0.4 -1,-0.1 -6,-0.2 -6,-0.0 -0.586 36.5 -77.4-178.6 -46.5 -18.7 -3.1 13.0 97 97 A K 0 0 93 3,-0.0 4,-2.1 4,-0.0 5,-0.1 0.549 360.0 360.0 153.9 129.9 -17.8 -4.8 10.4 98 98 A K 0 0 113 2,-0.3 5,-1.9 -8,-0.0 -8,-0.1 0.508 360.0 360.0 88.2 360.0 -17.9 -6.6 7.7 99 !* 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 0.0 100 1 B M 0 0 111 0, 0.0 -2,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -58.1 -12.7 -5.8 11.7 101 2 B A - 0 0 52 -4,-2.1 -13,-0.2 -12,-0.1 -14,-0.1 -0.709 360.0 -73.3-171.9 119.5 -12.7 -7.5 8.2 102 3 B A - 0 0 31 -15,-2.4 3,-0.1 -2,-0.2 -15,-0.1 0.462 20.0-165.4 28.1 100.2 -14.1 -7.4 4.7 103 4 B E - 0 0 72 -5,-1.9 -1,-0.1 1,-0.2 0, 0.0 -0.279 69.9 -29.9 -83.3-173.5 -17.5 -8.3 3.3 104 5 B P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.101 67.1-154.5 -70.1 166.1 -17.2 -8.6 -0.5 105 6 B L - 0 0 46 -3,-0.1 2,-0.1 -57,-0.1 0, 0.0 -0.924 13.3-134.5-139.3 141.7 -14.9 -6.7 -2.8 106 7 B T > - 0 0 54 -2,-0.3 4,-2.9 -61,-0.1 5,-0.2 -0.297 57.0 -74.0 -81.6-175.9 -14.4 -5.4 -6.4 107 8 B E H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 133.1 36.7 -49.9 -63.0 -11.1 -5.8 -8.3 108 9 B L H > S+ 0 0 8 -63,-0.4 4,-2.3 1,-0.2 5,-0.3 0.916 115.6 56.9 -61.6 -39.9 -8.9 -3.2 -6.5 109 10 B E H > S+ 0 0 3 -64,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.904 108.7 46.9 -57.7 -42.5 -10.6 -4.2 -3.2 110 11 B E H X S+ 0 0 124 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.948 111.9 50.0 -59.9 -51.4 -9.5 -7.8 -3.7 111 12 B S H X S+ 0 0 16 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.758 110.8 48.1 -71.9 -23.1 -6.0 -6.8 -4.6 112 13 B I H X S+ 0 0 2 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.844 112.7 51.9 -76.4 -33.7 -5.6 -4.6 -1.5 113 14 B E H >X S+ 0 0 53 -4,-1.9 4,-2.8 -5,-0.3 3,-0.6 0.975 100.1 60.7 -59.9 -54.2 -7.1 -7.6 0.5 114 15 B T H 3X S+ 0 0 54 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.824 109.0 42.9 -50.5 -38.8 -4.6 -10.1 -0.8 115 16 B V H 3X S+ 0 0 8 -4,-0.7 4,-3.0 2,-0.2 -1,-0.3 0.879 112.7 53.7 -74.0 -36.9 -1.6 -8.2 0.6 116 17 B V H < S+ 0 0 19 -4,-2.1 3,-2.9 -5,-0.3 -2,-0.2 0.960 112.8 58.5 -69.6 -53.7 2.6 -13.6 8.9 123 24 B A H 3< S+ 0 0 0 -4,-3.3 8,-0.3 1,-0.3 3,-0.2 0.621 92.0 70.5 -60.0 -20.3 2.0 -10.9 11.5 124 25 B R T 3< S+ 0 0 161 -4,-1.8 -1,-0.3 -5,-0.2 5,-0.2 0.733 78.7 93.7 -55.9 -28.6 0.1 -13.4 13.7 125 26 B Q S < S+ 0 0 66 -3,-2.9 -1,-0.2 -4,-0.2 3,-0.1 0.799 93.6 6.1 -51.9 -64.7 3.4 -15.1 14.5 126 27 B E S S- 0 0 100 1,-0.5 2,-0.3 -3,-0.2 3,-0.1 0.955 129.0 -14.7 -88.5 -78.3 5.1 -13.9 17.6 127 28 B G S S- 0 0 37 1,-0.2 -1,-0.5 4,-0.1 4,-0.1 -0.838 113.2 -1.1 -93.8 160.4 2.7 -11.4 19.4 128 29 B R > - 0 0 161 -2,-0.3 3,-1.0 -3,-0.1 -1,-0.2 0.837 49.8-139.6 52.0 101.5 -0.3 -9.8 18.0 129 30 B K T 3 S+ 0 0 106 1,-0.2 -6,-0.1 -5,-0.2 -4,-0.1 0.888 99.5 65.9 -59.4 -42.9 -1.6 -10.1 14.5 130 31 B D T 3 S+ 0 0 50 -6,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.583 104.9 48.1 -63.7 -12.4 -2.5 -6.4 14.2 131 32 B S S < S- 0 0 3 -3,-1.0 2,-0.3 -8,-0.3 40,-0.2 -0.994 83.2-121.5-130.5 138.5 1.3 -5.5 14.4 132 33 B L B -C 170 0C 0 38,-2.8 38,-2.7 -2,-0.4 2,-0.2 -0.601 31.5-164.6 -72.1 135.3 4.3 -6.8 12.6 133 34 B S >> - 0 0 18 -2,-0.3 4,-2.8 36,-0.2 3,-1.1 -0.707 33.5 -96.4-118.7 162.0 6.9 -8.1 15.0 134 35 B V T 34 S+ 0 0 80 1,-0.3 -2,-0.0 -2,-0.2 35,-0.0 -0.010 120.5 48.3 -99.4 49.5 10.6 -8.8 14.2 135 36 B N T 34 S+ 0 0 76 -2,-0.2 -1,-0.3 3,-0.1 -3,-0.0 -0.269 115.7 46.0-156.1 55.1 10.4 -12.5 13.6 136 37 B E T <> S+ 0 0 0 -3,-1.1 4,-2.4 -11,-0.1 -2,-0.2 0.117 113.9 46.9-141.7 -53.5 7.4 -11.9 11.3 137 38 B F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 3,-0.4 0.975 115.6 43.2 -58.4 -58.7 8.9 -9.0 9.4 138 39 B K H > S+ 0 0 63 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.909 114.9 52.4 -60.8 -36.6 12.3 -10.6 8.8 139 40 B E H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.876 108.5 51.3 -57.7 -40.2 10.5 -13.8 7.9 140 41 B L H X>S+ 0 0 0 -4,-2.4 5,-2.1 -3,-0.4 4,-1.5 0.915 114.7 41.0 -69.5 -42.4 8.3 -11.9 5.4 141 42 B V H <5S+ 0 0 3 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.938 119.3 45.7 -72.4 -43.6 11.3 -10.3 3.6 142 43 B T H <5S+ 0 0 80 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.935 129.4 23.8 -57.3 -53.6 13.3 -13.6 3.8 143 44 B Q H <5S+ 0 0 120 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.960 134.6 24.0 -81.3 -61.1 10.4 -15.8 2.6 144 45 B Q T <5S+ 0 0 30 -4,-1.5 -135,-0.3 -5,-0.5 -3,-0.2 0.912 128.2 30.7 -83.5 -49.8 8.0 -13.6 0.6 145 46 B L S >> S+ 0 0 45 -6,-0.2 3,-1.1 1,-0.1 -10,-0.2 0.823 72.4 66.0 -58.9 -34.1 16.6 -9.1 3.2 153 54 B G T 3 S+ 0 0 46 1,-0.3 3,-0.5 2,-0.1 2,-0.4 0.968 102.7 37.9 -55.8 -65.6 19.9 -8.9 5.0 154 55 B S T >> S+ 0 0 55 1,-0.2 3,-1.5 2,-0.1 4,-1.0 -0.096 71.6 134.4 -89.9 39.2 19.8 -5.3 6.3 155 56 B L H X> + 0 0 2 -3,-1.1 4,-3.0 -2,-0.4 3,-0.6 0.893 62.5 73.0 -42.5 -48.1 16.0 -5.4 7.1 156 57 B D H 3> S+ 0 0 91 -3,-0.5 4,-2.7 1,-0.3 -1,-0.3 0.784 94.5 50.0 -43.4 -41.3 17.0 -3.8 10.4 157 58 B E H <> S+ 0 0 110 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.941 112.6 45.8 -63.7 -49.7 17.7 -0.5 8.6 158 59 B K H X + 0 0 0 -4,-3.1 3,-1.6 1,-0.2 2,-1.4 0.410 66.3 159.8 -58.1 -13.0 8.9 2.0 12.8 164 65 B V T 34 S+ 0 0 94 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.102 70.5 58.7 -35.7 -21.5 9.8 5.6 13.5 165 66 B N T 34 S- 0 0 95 -2,-1.4 -1,-0.3 -3,-0.2 -2,-0.1 0.794 102.2-145.4 -58.4 -25.0 7.9 5.9 16.8 166 67 B Q T <4 + 0 0 101 -3,-1.6 -2,-0.1 -7,-0.1 -1,-0.1 0.603 59.8 133.7 67.7 19.7 10.4 3.0 17.5 167 68 B D S < S- 0 0 66 -4,-0.5 3,-0.1 2,-0.2 -1,-0.1 0.685 71.0-128.4 -61.3 -18.2 8.0 1.1 19.7 168 69 B S S S+ 0 0 61 1,-0.3 2,-0.7 -5,-0.2 -34,-0.2 0.491 77.5 117.7 69.2 10.4 9.2 -1.8 17.6 169 70 B E - 0 0 47 -6,-0.2 2,-1.0 -36,-0.1 -1,-0.3 -0.945 68.7-139.3 -88.9 111.8 5.6 -2.8 16.8 170 71 B L B -C 132 0C 0 -38,-2.7 -38,-2.8 -2,-0.7 -7,-0.1 -0.665 38.2-140.4 -72.4 101.8 5.6 -2.3 13.0 171 72 B K >> - 0 0 71 -2,-1.0 3,-2.5 -40,-0.2 2,-2.4 -0.085 21.3 -83.8 -81.8 172.3 2.2 -0.8 13.3 172 73 B F T 34 S+ 0 0 49 1,-0.4 -1,-0.1 -42,-0.2 -41,-0.1 -0.460 128.8 14.4 -80.5 73.8 -1.0 -1.0 11.1 173 74 B N T 34 S+ 0 0 59 -2,-2.4 -1,-0.4 -88,-0.0 -2,-0.1 0.615 115.2 70.0 98.9 49.4 0.4 1.7 8.8 174 75 B E T X4 S+ 0 0 17 -3,-2.5 3,-1.9 -10,-0.0 4,-0.3 0.284 106.9 42.7 -90.1 -60.5 3.9 1.9 9.8 175 76 B Y T >< S+ 0 0 8 -4,-1.8 3,-2.8 1,-0.3 4,-0.3 0.769 99.4 71.3 -39.6 -52.4 4.3 -1.5 8.1 176 77 B W T >> S+ 0 0 24 -5,-0.4 3,-1.3 1,-0.3 4,-1.0 0.763 80.9 74.8 -43.2 -39.7 2.3 -0.7 5.1 177 78 B R H X> S+ 0 0 93 -3,-1.9 4,-1.9 1,-0.3 3,-0.8 0.820 86.0 65.6 -39.0 -44.6 5.0 1.6 3.8 178 79 B L H <> S+ 0 0 5 -3,-2.8 4,-2.8 1,-0.3 3,-0.3 0.901 96.8 51.7 -49.1 -50.3 7.0 -1.5 2.9 179 80 B I H <> S+ 0 0 8 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.3 0.834 110.4 53.6 -58.3 -30.1 4.4 -2.6 0.2 180 81 B G H X S+ 0 0 24 -4,-2.9 4,-2.7 1,-0.2 3,-2.0 0.911 107.4 71.7 -70.3 -40.6 7.8 2.0 -6.4 185 86 B E H 3< S+ 0 0 36 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.819 88.9 61.2 -44.2 -45.8 11.0 -0.3 -6.5 186 87 B I T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.866 122.0 25.0 -51.1 -39.8 9.7 -2.0 -9.6 187 88 B R T <4 S+ 0 0 146 -3,-2.0 2,-0.7 -4,-0.5 -2,-0.3 0.762 124.3 57.1 -82.6 -38.2 9.9 1.5 -11.3 188 89 B K < - 0 0 79 -4,-2.7 -1,-0.2 -7,-0.2 -2,-0.1 -0.695 60.8-174.5-117.0 79.1 12.6 2.9 -8.9 189 90 B K S S- 0 0 147 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.1 0.765 78.7 -44.7 -37.5 -54.8 15.8 0.8 -8.9 190 91 B K S > S+ 0 0 159 2,-0.0 2,-2.2 -5,-0.0 3,-0.6 0.335 98.2 123.7-154.2 -2.6 17.5 2.8 -6.1 191 92 B D T 3 + 0 0 90 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.221 41.1 96.4 -92.9 49.0 17.0 6.4 -6.9 192 93 B L T 3 + 0 0 70 -2,-2.2 2,-0.5 1,-0.1 -1,-0.2 0.882 35.1 151.9 -93.3 -53.7 15.3 7.8 -3.7 193 94 B K < + 0 0 143 -3,-0.6 -1,-0.1 1,-0.1 -2,-0.0 -0.412 17.7 156.7 47.0-104.6 17.9 9.4 -1.5 194 95 B I - 0 0 146 -2,-0.5 2,-0.2 1,-0.1 -1,-0.1 0.515 21.2-169.9 54.6 151.2 16.1 12.1 0.5 195 96 B R + 0 0 221 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.785 22.3 145.5-167.2 127.1 17.2 13.6 3.8 196 97 B K 0 0 172 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.904 360.0 360.0-175.3 125.6 14.8 15.8 5.8 197 98 B K 0 0 218 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.983 360.0 360.0-103.0 360.0 14.0 16.6 9.5