==== 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 23-MAY-07 2JPT . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.ZHUKOV,A.EJCHART,A.BIERZYNSKI . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 74.2 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 3.2 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 51.6 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 2 0 0 0 0 0 0 2 2 0 0 2 2 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 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 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 G 0 0 63 0, 0.0 133,-0.2 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0-153.9 9.1 -2.7 -12.2 2 2 A S > + 0 0 50 129,-0.3 4,-0.9 1,-0.1 129,-0.1 0.795 360.0 139.2 55.7 28.0 8.2 0.7 -10.8 3 3 A E H > + 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.769 66.5 53.2 -72.5 -26.1 4.8 -0.8 -9.9 4 4 A L H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 3,-0.4 0.938 100.2 57.7 -74.3 -48.3 4.9 1.1 -6.6 5 5 A E H > S+ 0 0 41 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.828 104.8 55.7 -51.3 -31.9 5.5 4.5 -8.1 6 6 A T H X S+ 0 0 68 -4,-0.9 4,-1.2 1,-0.2 -1,-0.3 0.926 111.7 40.4 -67.5 -44.8 2.3 3.9 -10.0 7 7 A A H X S+ 0 0 4 -4,-1.1 4,-2.2 -3,-0.4 5,-0.3 0.835 104.4 69.0 -72.1 -32.9 0.3 3.3 -6.9 8 8 A M H X S+ 0 0 15 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.894 104.2 42.6 -51.9 -43.1 2.1 6.1 -5.1 9 9 A E H X S+ 0 0 119 -4,-1.3 4,-4.6 -3,-0.2 5,-0.3 0.864 106.6 62.4 -72.4 -37.2 0.3 8.6 -7.4 10 10 A T H X S+ 0 0 11 -4,-1.2 4,-2.3 1,-0.2 5,-0.3 0.921 108.9 41.0 -54.1 -47.8 -3.1 6.7 -7.1 11 11 A L H X S+ 0 0 17 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.862 120.1 44.8 -69.5 -36.7 -3.2 7.4 -3.3 12 12 A I H X S+ 0 0 36 -4,-1.4 4,-2.9 -5,-0.3 -2,-0.2 0.888 115.3 47.3 -74.1 -41.0 -1.9 10.9 -3.8 13 13 A N H X S+ 0 0 87 -4,-4.6 4,-2.1 2,-0.2 -2,-0.2 0.974 111.7 47.7 -64.8 -56.8 -4.2 11.7 -6.7 14 14 A V H X S+ 0 0 8 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.893 119.1 42.0 -51.9 -43.1 -7.4 10.3 -5.2 15 15 A F H >< S+ 0 0 15 -4,-1.3 3,-1.3 -5,-0.3 4,-0.5 0.901 108.9 57.7 -71.8 -41.8 -6.6 12.2 -2.0 16 16 A H H 3< S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.818 94.6 68.8 -57.9 -30.5 -5.5 15.4 -3.8 17 17 A A H 3< S+ 0 0 81 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.862 101.6 48.5 -57.0 -36.5 -8.9 15.4 -5.5 18 18 A H S << S- 0 0 88 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.1 0.902 125.0 -23.3 -67.8-100.2 -10.4 16.3 -2.1 19 19 A S + 0 0 47 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.0 -0.908 46.2 177.5-120.1 147.5 -8.5 19.2 -0.4 20 20 A G S S+ 0 0 45 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.743 87.9 34.5-112.2 -45.1 -4.9 20.4 -0.9 21 21 A K S S- 0 0 159 164,-0.0 -2,-0.0 163,-0.0 -1,-0.0 -0.069 80.8-177.2-102.7 31.9 -4.6 23.4 1.4 22 22 A E - 0 0 57 1,-0.2 4,-0.1 2,-0.0 -3,-0.0 -0.014 24.2-144.8 -34.0 106.0 -6.9 21.9 4.0 23 23 A G S S+ 0 0 90 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.785 88.2 58.5 -49.7 -26.6 -6.9 24.8 6.5 24 24 A D S S- 0 0 98 1,-0.1 3,-0.3 3,-0.1 -1,-0.0 -0.895 108.2 -90.3-110.2 135.7 -7.1 22.0 9.1 25 25 A K - 0 0 155 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.073 68.6 -68.6 -36.6 148.9 -4.4 19.3 9.4 26 26 A Y S S+ 0 0 116 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.232 75.6 158.8 -48.2 111.3 -5.1 16.2 7.3 27 27 A K - 0 0 112 -3,-0.3 2,-0.4 -2,-0.1 43,-0.2 -0.983 20.0-178.2-144.8 129.7 -8.1 14.7 9.0 28 28 A L E -A 69 0A 16 41,-1.3 41,-2.9 42,-0.5 -2,-0.0 -0.975 17.9-142.0-132.7 120.8 -10.7 12.3 7.7 29 29 A S E > -A 68 0A 49 -2,-0.4 4,-2.0 39,-0.3 5,-0.2 -0.209 37.7 -95.9 -72.1 167.9 -13.7 11.0 9.7 30 30 A K H > S+ 0 0 57 37,-1.3 4,-3.1 34,-0.5 5,-0.2 0.907 127.1 52.5 -50.4 -45.8 -14.9 7.4 9.4 31 31 A K H > S+ 0 0 136 2,-0.2 4,-4.6 1,-0.2 5,-0.4 0.935 105.0 54.5 -57.0 -49.9 -17.5 8.6 6.8 32 32 A E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.946 114.6 39.3 -49.5 -56.9 -14.9 10.3 4.7 33 33 A L H X S+ 0 0 10 -4,-2.0 4,-1.5 2,-0.2 5,-0.3 0.950 119.7 46.3 -59.8 -51.0 -12.8 7.2 4.4 34 34 A K H X S+ 0 0 72 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 118.4 42.0 -56.8 -49.4 -15.9 4.9 4.0 35 35 A E H X S+ 0 0 89 -4,-4.6 4,-3.3 -5,-0.2 5,-0.3 0.814 103.0 71.7 -67.5 -32.4 -17.5 7.2 1.5 36 36 A L H X S+ 0 0 4 -4,-2.7 4,-0.8 -5,-0.4 -1,-0.2 0.940 110.1 27.7 -49.7 -57.6 -14.1 7.7 -0.3 37 37 A L H >X S+ 0 0 17 -4,-1.5 4,-4.2 2,-0.2 3,-1.0 0.957 119.5 55.4 -72.3 -51.0 -14.0 4.2 -1.8 38 38 A Q H 3X S+ 0 0 40 -4,-1.8 4,-1.1 1,-0.3 -2,-0.2 0.896 108.7 49.6 -48.3 -43.9 -17.8 3.7 -1.9 39 39 A T H 3< S+ 0 0 76 -4,-3.3 -1,-0.3 2,-0.2 -2,-0.2 0.826 117.6 42.3 -65.2 -29.4 -18.0 6.9 -4.0 40 40 A E H << S+ 0 0 42 -3,-1.0 -2,-0.2 -4,-0.8 3,-0.2 0.927 134.1 18.0 -81.7 -50.5 -15.2 5.5 -6.1 41 41 A L H X S+ 0 0 6 -4,-4.2 4,-3.2 1,-0.2 5,-0.5 -0.003 83.7 129.6-111.2 28.1 -16.4 1.9 -6.4 42 42 A S T < S+ 0 0 74 -4,-1.1 4,-0.3 -5,-0.4 -1,-0.2 0.912 85.5 32.4 -45.7 -52.2 -20.0 2.5 -5.4 43 43 A G T 4 S+ 0 0 58 -3,-0.2 -1,-0.2 -4,-0.2 4,-0.2 0.810 124.5 47.4 -76.9 -31.7 -21.3 0.6 -8.4 44 44 A F T >> S+ 0 0 97 1,-0.2 3,-3.4 2,-0.2 4,-0.5 0.977 104.8 53.9 -74.0 -59.7 -18.3 -1.8 -8.5 45 45 A L H >X S+ 0 0 26 -4,-3.2 4,-1.5 1,-0.3 3,-0.7 0.689 89.8 84.7 -50.3 -15.1 -18.2 -2.9 -4.8 46 46 A D H 34 S+ 0 0 105 -5,-0.5 -1,-0.3 -4,-0.3 4,-0.2 0.816 88.6 50.2 -57.5 -29.3 -21.8 -3.7 -5.5 47 47 A A H X4 S+ 0 0 79 -3,-3.4 3,-0.7 1,-0.2 -1,-0.3 0.747 105.5 55.9 -79.9 -25.4 -20.5 -7.0 -6.8 48 48 A Q H X< S+ 0 0 27 -3,-0.7 3,-3.7 -4,-0.5 6,-0.3 0.728 80.2 89.4 -78.2 -22.6 -18.4 -7.5 -3.7 49 49 A K T 3< S+ 0 0 126 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.792 78.3 66.7 -43.9 -29.7 -21.5 -7.2 -1.5 50 50 A D T < S+ 0 0 145 -3,-0.7 2,-0.5 -4,-0.2 -1,-0.3 0.826 91.5 72.4 -62.8 -31.4 -21.7 -11.0 -2.0 51 51 A A S X S- 0 0 50 -3,-3.7 3,-1.2 -4,-0.1 4,-0.2 -0.746 70.9-153.4 -90.5 129.3 -18.5 -11.4 -0.0 52 52 A D T >> S+ 0 0 136 -2,-0.5 3,-1.6 1,-0.3 4,-1.1 0.706 85.4 85.9 -70.9 -19.5 -18.7 -10.8 3.7 53 53 A A H 3> S+ 0 0 28 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.785 74.4 73.4 -51.8 -27.2 -15.0 -9.8 3.7 54 54 A V H <> S+ 0 0 38 -3,-1.2 4,-1.1 -6,-0.3 3,-0.5 0.917 97.9 44.6 -53.9 -46.3 -16.3 -6.3 2.8 55 55 A D H <> S+ 0 0 109 -3,-1.6 4,-1.4 -4,-0.2 -1,-0.3 0.803 98.8 74.6 -68.6 -29.3 -17.5 -5.8 6.4 56 56 A K H < S+ 0 0 166 -4,-1.1 3,-0.4 1,-0.2 -1,-0.2 0.902 102.9 38.3 -49.8 -46.7 -14.2 -7.3 7.6 57 57 A V H >X S+ 0 0 8 -4,-1.2 3,-2.2 -3,-0.5 4,-0.7 0.837 105.0 68.3 -74.9 -32.8 -12.4 -4.1 6.7 58 58 A M H 3X S+ 0 0 32 -4,-1.1 4,-4.3 1,-0.3 5,-0.4 0.795 82.4 77.0 -55.9 -27.7 -15.3 -1.9 7.8 59 59 A K H 3X S+ 0 0 159 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.3 0.814 92.7 53.3 -52.9 -31.1 -14.5 -3.1 11.4 60 60 A E H <> S+ 0 0 92 -3,-2.2 4,-0.6 -4,-0.2 -1,-0.2 0.991 120.1 27.5 -68.7 -62.9 -11.6 -0.6 11.2 61 61 A L H >< S+ 0 0 9 -4,-0.7 3,-1.6 1,-0.2 -2,-0.2 0.886 116.0 63.8 -67.2 -39.1 -13.6 2.6 10.3 62 62 A D H >< S+ 0 0 109 -4,-4.3 3,-1.5 1,-0.3 -1,-0.2 0.883 96.8 57.5 -52.0 -41.1 -16.7 1.2 11.9 63 63 A E H 3< S+ 0 0 159 -4,-1.3 3,-0.4 -5,-0.4 -1,-0.3 0.790 97.0 63.3 -61.1 -26.9 -14.9 1.4 15.2 64 64 A D T << + 0 0 41 -3,-1.6 -34,-0.5 -4,-0.6 -1,-0.3 0.083 64.5 144.9 -85.4 24.5 -14.4 5.1 14.6 65 65 A G S < S+ 0 0 21 -3,-1.5 -1,-0.2 1,-0.3 -34,-0.2 0.797 91.1 9.1 -28.2 -50.3 -18.1 5.5 14.7 66 66 A D S S+ 0 0 173 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.503 127.2 76.4-110.6 -11.7 -17.5 8.9 16.3 67 67 A G - 0 0 36 -4,-0.2 -37,-1.3 -6,-0.2 2,-0.2 -0.201 66.7-141.3 -90.5-175.2 -13.8 8.9 15.8 68 68 A E E -A 29 0A 88 -39,-0.2 2,-0.4 -38,-0.1 -39,-0.3 -0.720 9.6-119.7-135.6-175.0 -11.6 9.6 12.7 69 69 A V E -A 28 0A 20 -41,-2.9 -41,-1.3 1,-0.2 5,-0.1 -0.998 21.9-119.4-137.8 139.1 -8.5 8.3 11.0 70 70 A D - 0 0 65 -2,-0.4 -42,-0.5 -43,-0.2 -1,-0.2 0.880 49.1-113.8 -35.1 -88.8 -5.2 10.1 10.1 71 71 A F S > S+ 0 0 9 -44,-0.1 3,-2.7 -38,-0.0 4,-0.2 -0.152 100.1 55.1-177.6 -74.1 -5.2 9.6 6.3 72 72 A Q T > S+ 0 0 29 1,-0.3 3,-3.0 2,-0.2 4,-0.4 0.821 92.2 79.8 -51.2 -32.6 -2.6 7.4 4.7 73 73 A E T 3> S+ 0 0 111 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.725 79.6 70.7 -48.4 -22.8 -3.7 4.7 7.1 74 74 A Y H <> S+ 0 0 3 -3,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.775 80.6 74.2 -68.3 -27.0 -6.5 4.2 4.6 75 75 A V H X> S+ 0 0 6 -3,-3.0 3,-1.9 -4,-0.2 4,-1.1 0.960 96.6 45.7 -50.6 -60.0 -4.1 2.7 2.1 76 76 A V H >> S+ 0 0 46 -4,-0.4 4,-2.4 1,-0.3 3,-0.5 0.871 102.4 66.7 -52.6 -38.8 -3.8 -0.7 3.9 77 77 A L H 3X S+ 0 0 3 -4,-0.9 4,-0.8 1,-0.3 -1,-0.3 0.847 99.6 52.5 -51.6 -33.4 -7.6 -0.7 4.3 78 78 A V H X S+ 0 0 50 -4,-1.9 4,-1.1 2,-0.2 3,-0.9 0.917 114.9 54.4 -72.3 -44.4 -10.8 -10.9 -3.1 86 86 A N H 3X S+ 0 0 20 -4,-4.4 4,-2.6 1,-0.3 3,-0.2 0.867 101.5 60.7 -57.3 -36.9 -7.5 -12.3 -4.3 87 87 A N H 3< S+ 0 0 80 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.853 96.6 61.2 -59.3 -34.9 -8.0 -15.3 -2.0 88 88 A F H << S+ 0 0 164 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.934 110.0 38.9 -57.9 -48.2 -11.2 -16.1 -4.0 89 89 A F H < S+ 0 0 146 -4,-1.1 2,-0.7 -3,-0.2 -2,-0.2 0.951 118.9 50.3 -67.8 -50.1 -9.2 -16.6 -7.2 90 90 A W S < S+ 0 0 122 -4,-2.6 -1,-0.2 2,-0.0 2,-0.2 -0.821 71.0 127.2 -95.5 117.5 -6.2 -18.3 -5.5 91 91 A E - 0 0 145 -2,-0.7 2,-1.1 -3,-0.1 24,-0.0 -0.587 36.7-162.2-172.0 102.3 -7.3 -21.2 -3.2 92 92 A N 0 0 140 -2,-0.2 -2,-0.0 1,-0.1 23,-0.0 -0.745 360.0 360.0 -93.3 94.4 -5.9 -24.7 -3.3 93 93 A S 0 0 167 -2,-1.1 -1,-0.1 0, 0.0 0, 0.0 -0.211 360.0 360.0-176.0 360.0 -8.5 -26.8 -1.4 94 !* 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 95 1 B G 0 0 63 0, 0.0 -55,-0.2 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0-153.8 -13.5 7.7 -9.1 96 2 B S > + 0 0 50 -59,-0.3 4,-0.9 1,-0.1 -59,-0.1 0.796 360.0 139.2 55.5 28.0 -12.5 4.0 -9.0 97 3 B E H > + 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.770 66.4 53.2 -72.4 -26.0 -9.0 5.2 -8.1 98 4 B L H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 3,-0.5 0.938 100.2 57.7 -74.3 -48.4 -8.7 2.4 -5.5 99 5 B E H > S+ 0 0 42 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.827 104.8 55.6 -51.2 -31.9 -9.5 -0.4 -7.9 100 6 B T H X S+ 0 0 67 -4,-0.9 4,-1.2 1,-0.2 -1,-0.3 0.925 111.7 40.4 -67.6 -44.7 -6.6 0.8 -9.9 101 7 B A H X S+ 0 0 3 -4,-1.1 4,-2.2 -3,-0.5 5,-0.3 0.835 104.4 69.0 -72.1 -32.8 -4.2 0.6 -7.0 102 8 B M H X S+ 0 0 17 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.894 104.2 42.6 -51.9 -43.2 -5.8 -2.7 -5.9 103 9 B E H X S+ 0 0 121 -4,-1.3 4,-4.6 -3,-0.2 5,-0.3 0.864 106.6 62.4 -72.4 -37.2 -4.3 -4.4 -9.1 104 10 B T H X S+ 0 0 11 -4,-1.2 4,-2.3 1,-0.2 5,-0.3 0.922 108.9 41.0 -54.0 -47.9 -1.0 -2.6 -8.7 105 11 B L H X S+ 0 0 18 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.863 120.1 44.8 -69.4 -36.6 -0.4 -4.4 -5.3 106 12 B I H X S+ 0 0 36 -4,-1.4 4,-2.9 -5,-0.3 -2,-0.2 0.889 115.3 47.3 -74.2 -40.9 -1.8 -7.6 -6.6 107 13 B N H X S+ 0 0 87 -4,-4.6 4,-2.1 2,-0.2 -2,-0.2 0.974 111.7 47.7 -64.9 -56.9 0.1 -7.5 -9.9 108 14 B V H X S+ 0 0 9 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.894 119.1 42.1 -51.9 -43.0 3.5 -6.6 -8.5 109 15 B F H >< S+ 0 0 14 -4,-1.3 3,-1.3 -5,-0.3 4,-0.5 0.901 108.9 57.7 -71.9 -41.7 3.1 -9.4 -6.0 110 16 B H H 3< S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.818 94.5 68.8 -58.1 -30.4 1.7 -11.8 -8.5 111 17 B A H 3< S+ 0 0 82 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.861 101.6 48.5 -57.0 -36.6 4.9 -11.3 -10.5 112 18 B H S << S- 0 0 89 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.1 0.901 125.0 -23.2 -67.8-100.1 6.8 -13.1 -7.7 113 19 B S + 0 0 47 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.0 -0.907 46.2 177.4-120.2 147.5 5.0 -16.4 -6.8 114 20 B G S S+ 0 0 45 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.743 87.9 34.5-112.1 -45.1 1.4 -17.5 -7.2 115 21 B K S S- 0 0 160 -24,-0.0 -2,-0.0 -25,-0.0 -1,-0.0 -0.068 80.7-177.2-102.7 31.8 1.3 -21.0 -5.9 116 22 B E - 0 0 56 1,-0.2 4,-0.1 2,-0.0 -3,-0.0 -0.012 24.2-144.8 -33.9 105.7 3.9 -20.4 -3.2 117 23 B G S S+ 0 0 89 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.785 88.2 58.5 -49.4 -26.7 4.3 -23.8 -1.7 118 24 B D S S- 0 0 99 1,-0.1 3,-0.3 3,-0.1 -1,-0.0 -0.896 108.2 -90.3-110.2 135.8 4.8 -22.0 1.5 119 25 B K - 0 0 154 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.073 68.6 -68.7 -36.6 148.9 2.2 -19.5 3.0 120 26 B Y S S+ 0 0 114 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.233 75.5 158.8 -48.2 111.3 2.7 -16.0 1.8 121 27 B K - 0 0 113 -3,-0.3 2,-0.4 -2,-0.1 43,-0.2 -0.983 20.0-178.2-144.9 129.7 5.9 -15.0 3.5 122 28 B L E -B 163 0B 17 41,-1.3 41,-2.9 42,-0.5 -2,-0.0 -0.976 17.9-142.0-132.7 120.8 8.4 -12.2 2.6 123 29 B S E > -B 162 0B 50 -2,-0.4 4,-2.0 39,-0.3 5,-0.2 -0.209 37.7 -95.9 -72.0 167.9 11.6 -11.5 4.5 124 30 B K H > S+ 0 0 56 37,-1.3 4,-3.1 34,-0.5 5,-0.2 0.907 127.1 52.5 -50.5 -45.8 12.9 -8.0 5.2 125 31 B K H > S+ 0 0 135 2,-0.2 4,-4.6 1,-0.2 5,-0.4 0.935 105.0 54.5 -56.9 -49.9 15.1 -8.3 2.1 126 32 B E H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.946 114.6 39.3 -49.6 -56.9 12.2 -9.3 -0.1 127 33 B L H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 5,-0.3 0.949 119.7 46.3 -59.8 -50.9 10.1 -6.3 0.8 128 34 B K H X S+ 0 0 74 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 118.4 42.0 -56.8 -49.4 13.2 -4.0 0.8 129 35 B E H X S+ 0 0 89 -4,-4.6 4,-3.3 -5,-0.2 5,-0.3 0.814 103.0 71.7 -67.6 -32.4 14.4 -5.4 -2.5 130 36 B L H X S+ 0 0 4 -4,-2.7 4,-0.9 -5,-0.4 -1,-0.2 0.940 110.1 27.7 -49.7 -57.6 10.8 -5.4 -3.9 131 37 B L H >X S+ 0 0 16 -4,-1.5 4,-4.2 2,-0.2 3,-1.0 0.957 119.5 55.4 -72.2 -51.1 10.6 -1.6 -4.3 132 38 B Q H 3X S+ 0 0 41 -4,-1.8 4,-1.1 1,-0.3 -2,-0.2 0.896 108.7 49.6 -48.3 -43.9 14.3 -1.0 -4.8 133 39 B T H 3< S+ 0 0 75 -4,-3.3 -1,-0.3 2,-0.2 -2,-0.2 0.826 117.6 42.3 -65.3 -29.4 14.2 -3.4 -7.7 134 40 B E H << S+ 0 0 44 -3,-1.0 -2,-0.2 -4,-0.9 3,-0.2 0.926 134.1 18.0 -81.5 -50.6 11.2 -1.5 -8.9 135 41 B L H X S+ 0 0 6 -4,-4.2 4,-3.2 1,-0.2 5,-0.5 -0.001 83.7 129.6-111.2 28.2 12.4 2.1 -8.3 136 42 B S T < S+ 0 0 74 -4,-1.1 4,-0.3 -5,-0.4 -1,-0.2 0.912 85.5 32.4 -45.9 -52.1 16.1 1.2 -8.0 137 43 B G T 4 S+ 0 0 57 -3,-0.2 -1,-0.2 -4,-0.2 4,-0.2 0.810 124.5 47.4 -76.8 -31.8 17.0 4.0 -10.4 138 44 B F T >> S+ 0 0 95 1,-0.2 3,-3.4 2,-0.2 4,-0.5 0.977 104.8 54.0 -74.0 -59.7 14.1 6.2 -9.4 139 45 B L H >X S+ 0 0 27 -4,-3.2 4,-1.5 1,-0.3 3,-0.7 0.690 89.8 84.6 -50.3 -15.0 14.5 6.2 -5.6 140 46 B D H 34 S+ 0 0 105 -5,-0.5 -1,-0.3 -4,-0.3 4,-0.2 0.816 88.6 50.2 -57.6 -29.2 18.0 7.2 -6.4 141 47 B A H X4 S+ 0 0 77 -3,-3.4 3,-0.7 1,-0.2 -1,-0.3 0.748 105.5 55.8 -79.9 -25.5 16.6 10.7 -6.5 142 48 B Q H X< S+ 0 0 25 -3,-0.7 3,-3.7 -4,-0.5 6,-0.3 0.728 80.2 89.4 -78.2 -22.7 14.9 10.3 -3.1 143 49 B K T 3< S+ 0 0 128 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.792 78.4 66.7 -44.0 -29.7 18.3 9.3 -1.5 144 50 B D T < S+ 0 0 141 -3,-0.7 2,-0.5 -4,-0.2 -1,-0.3 0.825 91.5 72.4 -62.7 -31.5 18.5 13.1 -0.9 145 51 B A S X S- 0 0 49 -3,-3.7 3,-1.2 -4,-0.1 4,-0.2 -0.748 70.9-153.4 -90.4 129.3 15.6 12.8 1.5 146 52 B D T >> S+ 0 0 136 -2,-0.5 3,-1.6 1,-0.3 4,-1.1 0.706 85.4 85.9 -71.1 -19.5 16.3 11.1 4.8 147 53 B A H 3> S+ 0 0 28 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.784 74.4 73.4 -51.7 -27.3 12.6 10.1 4.9 148 54 B V H <> S+ 0 0 38 -3,-1.2 4,-1.1 -6,-0.3 3,-0.5 0.918 97.9 44.6 -53.9 -46.2 13.7 7.1 2.9 149 55 B D H <> S+ 0 0 108 -3,-1.6 4,-1.4 -4,-0.2 -1,-0.3 0.803 98.8 74.6 -68.5 -29.4 15.3 5.6 6.0 150 56 B K H < S+ 0 0 168 -4,-1.1 3,-0.4 1,-0.2 -1,-0.2 0.902 102.9 38.4 -49.7 -46.7 12.2 6.5 8.0 151 57 B V H >X S+ 0 0 7 -4,-1.2 3,-2.2 -3,-0.5 4,-0.7 0.836 105.0 68.3 -74.8 -32.9 10.2 3.7 6.4 152 58 B M H 3X S+ 0 0 30 -4,-1.1 4,-4.3 1,-0.3 5,-0.4 0.794 82.4 77.0 -55.9 -27.7 13.3 1.4 6.5 153 59 B K H 3X S+ 0 0 163 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.3 0.815 92.7 53.3 -52.9 -31.0 12.9 1.4 10.3 154 60 B E H <> S+ 0 0 90 -3,-2.2 4,-0.6 -4,-0.2 -1,-0.2 0.991 120.0 27.5 -68.7 -63.0 10.0 -1.0 9.7 155 61 B L H >< S+ 0 0 9 -4,-0.7 3,-1.6 1,-0.2 -2,-0.2 0.885 116.0 63.8 -67.1 -39.3 11.7 -3.6 7.6 156 62 B D H >< S+ 0 0 111 -4,-4.3 3,-1.5 1,-0.3 -1,-0.2 0.883 96.8 57.5 -51.9 -41.2 15.1 -2.8 9.2 157 63 B E H 3< S+ 0 0 159 -4,-1.3 3,-0.4 -5,-0.4 -1,-0.3 0.788 97.0 63.3 -61.0 -26.9 13.7 -4.0 12.5 158 64 B D T << + 0 0 44 -3,-1.6 -34,-0.5 -4,-0.6 -1,-0.3 0.084 64.5 145.0 -85.5 24.6 13.0 -7.3 10.9 159 65 B G S < S+ 0 0 20 -3,-1.5 -1,-0.2 1,-0.3 -34,-0.2 0.796 91.1 9.1 -28.3 -50.2 16.8 -7.7 10.4 160 66 B D S S+ 0 0 170 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.502 127.2 76.4-110.7 -11.6 16.3 -11.4 10.9 161 67 B G - 0 0 37 -4,-0.2 -37,-1.3 -6,-0.2 2,-0.2 -0.201 66.8-141.3 -90.5-175.1 12.5 -11.4 10.9 162 68 B E E -B 123 0B 88 -39,-0.2 2,-0.4 -38,-0.1 -39,-0.3 -0.720 9.6-119.8-135.7-175.0 10.0 -11.1 8.1 163 69 B V E -B 122 0B 18 -41,-2.9 -41,-1.3 1,-0.2 5,-0.1 -0.998 21.9-119.5-137.8 139.1 6.7 -9.5 7.2 164 70 B D - 0 0 64 -2,-0.4 -42,-0.5 -43,-0.2 -1,-0.2 0.880 49.1-113.8 -35.2 -88.6 3.3 -10.9 6.3 165 71 B F S > S+ 0 0 7 -44,-0.1 3,-2.7 -38,-0.0 4,-0.2 -0.152 100.1 55.1-177.8 -74.2 2.8 -9.3 2.8 166 72 B Q T > S+ 0 0 30 1,-0.3 3,-3.0 2,-0.2 4,-0.4 0.820 92.2 79.8 -51.3 -32.5 0.0 -6.8 2.4 167 73 B E T 3> S+ 0 0 113 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.725 79.6 70.7 -48.4 -22.8 1.5 -4.9 5.3 168 74 B Y H <> S+ 0 0 4 -3,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.774 80.5 74.2 -68.3 -27.0 4.0 -3.6 2.7 169 75 B V H X> S+ 0 0 5 -3,-3.0 3,-1.9 -4,-0.2 4,-1.1 0.959 96.6 45.7 -50.5 -60.0 1.3 -1.5 1.1 170 76 B V H >> S+ 0 0 46 -4,-0.4 4,-2.4 1,-0.3 3,-0.5 0.871 102.4 66.7 -52.7 -38.8 1.3 1.1 3.9 171 77 B L H 3X S+ 0 0 4 -4,-0.9 4,-0.8 1,-0.3 -1,-0.3 0.847 99.6 52.5 -51.7 -33.3 5.1 1.1 3.8 172 78 B V H X S+ 0 0 51 -4,-1.9 4,-1.1 2,-0.2 3,-0.9 0.917 114.9 54.4 -72.3 -44.4 7.6 13.2 -0.6 180 86 B N H 3X S+ 0 0 19 -4,-4.5 4,-2.6 1,-0.3 3,-0.2 0.867 101.5 60.6 -57.3 -37.0 4.1 14.8 -0.9 181 87 B N H 3< S+ 0 0 79 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.853 96.6 61.2 -59.3 -34.9 5.0 16.9 2.1 182 88 B F H << S+ 0 0 165 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.934 110.0 38.9 -57.9 -48.3 7.9 18.4 0.1 183 89 B F H < S+ 0 0 143 -4,-1.1 2,-0.7 -3,-0.2 -2,-0.2 0.950 118.8 50.3 -67.7 -50.0 5.5 19.8 -2.6 184 90 B W S < S+ 0 0 120 -4,-2.6 -1,-0.2 2,-0.0 2,-0.2 -0.821 70.9 127.3 -95.6 117.5 2.9 20.8 -0.1 185 91 B E - 0 0 148 -2,-0.7 2,-1.1 -3,-0.1 -164,-0.0 -0.587 36.7-162.3-171.9 102.2 4.2 22.9 2.8 186 92 B N 0 0 141 -2,-0.2 -2,-0.0 1,-0.1 -165,-0.0 -0.745 360.0 360.0 -93.3 94.4 3.0 26.3 4.0 187 93 B S 0 0 167 -2,-1.1 -1,-0.1 0, 0.0 0, 0.0 -0.211 360.0 360.0-176.0 360.0 5.8 27.8 6.1