==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 05-MAR-08 3CGA . COMPND 2 MOLECULE: PROTEIN S100-A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.PATHURI,H.LUECKE . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 75.9 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 3.4 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 . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 2 0 0 0 0 2 1 1 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 4 A P > 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 96.4 19.8 6.0 -8.6 2 5 A L H > + 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.947 360.0 48.2 -66.6 -47.6 16.1 5.8 -9.2 3 6 A E H > S+ 0 0 49 123,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.870 112.5 51.5 -62.7 -36.2 16.1 4.9 -12.9 4 7 A K H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.903 105.9 55.9 -61.9 -41.9 18.7 2.3 -12.1 5 8 A A H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.862 107.2 48.8 -61.7 -35.7 16.3 1.0 -9.4 6 9 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.913 103.6 61.2 -69.5 -39.6 13.5 0.6 -12.0 7 10 A D H X S+ 0 0 109 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.920 109.3 39.9 -50.0 -56.6 15.8 -1.3 -14.4 8 11 A V H X S+ 0 0 29 -4,-1.5 4,-3.7 2,-0.2 5,-0.3 0.804 109.0 61.9 -65.8 -36.7 16.4 -4.2 -12.0 9 12 A M H X S+ 0 0 6 -4,-1.4 4,-1.1 -5,-0.2 -1,-0.2 0.985 111.0 39.1 -50.7 -58.2 12.8 -4.2 -10.8 10 13 A V H X S+ 0 0 15 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.897 121.4 44.1 -62.6 -40.4 11.7 -5.1 -14.3 11 14 A S H >X S+ 0 0 54 -4,-2.2 4,-2.5 -5,-0.3 3,-0.8 0.939 102.0 63.6 -74.4 -42.6 14.6 -7.4 -15.0 12 15 A T H 3X S+ 0 0 4 -4,-3.7 4,-0.6 1,-0.3 -1,-0.2 0.875 103.9 53.0 -46.1 -37.5 14.5 -9.2 -11.6 13 16 A F H 3X S+ 0 0 0 -4,-1.1 4,-2.9 -5,-0.3 3,-0.3 0.867 111.3 41.1 -66.6 -41.4 11.0 -10.5 -12.6 14 17 A H H < S+ 0 0 7 -4,-0.6 3,-0.7 -3,-0.3 -2,-0.3 0.724 113.9 67.3-108.6 -33.1 12.7 -15.7 -12.9 17 20 A S H 3< S+ 0 0 0 -4,-2.9 2,-0.7 1,-0.3 8,-0.5 0.808 90.1 66.2 -64.4 -27.3 9.5 -15.6 -15.0 18 21 A G T 3< S+ 0 0 52 -4,-1.3 -1,-0.3 1,-0.2 5,-0.1 -0.170 79.7 83.3 -91.3 44.1 11.0 -17.3 -18.0 19 22 A K S < S+ 0 0 103 -2,-0.7 2,-0.4 -3,-0.7 -1,-0.2 0.795 92.1 20.2-107.0 -47.4 11.6 -20.7 -16.5 20 23 A E S S- 0 0 82 -3,-0.5 -1,-0.3 2,-0.3 5,-0.2 -0.988 109.0 -41.2-138.7 135.9 8.3 -22.6 -16.7 21 24 A G S S+ 0 0 79 -2,-0.4 4,-0.1 -3,-0.1 6,-0.0 -0.204 119.3 37.4 50.6-132.3 5.2 -22.4 -18.7 22 25 A D S > S- 0 0 69 1,-0.2 3,-0.7 2,-0.1 -2,-0.3 -0.131 70.2-157.6 -48.9 131.5 4.0 -18.8 -19.1 23 26 A K T 3 S+ 0 0 127 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.639 90.0 49.6 -94.3 -8.7 7.2 -16.8 -19.6 24 27 A F T 3 S+ 0 0 114 -6,-0.1 45,-0.6 -7,-0.0 2,-0.3 -0.011 105.8 68.9-113.3 25.0 5.6 -13.5 -18.5 25 28 A K E < S-A 68 0A 52 -3,-0.7 2,-0.5 -8,-0.5 43,-0.3 -0.975 74.7-129.9-139.6 151.2 4.1 -15.0 -15.3 26 29 A L E -A 67 0A 0 41,-3.3 41,-2.9 -2,-0.3 2,-0.3 -0.910 19.9-158.0-102.1 128.6 5.5 -16.3 -12.1 27 30 A N >> - 0 0 36 -2,-0.5 4,-2.6 39,-0.2 3,-1.0 -0.708 41.7 -93.0 -97.7 161.8 4.3 -19.7 -11.0 28 31 A K H 3> S+ 0 0 46 37,-0.5 4,-1.1 -2,-0.3 -1,-0.1 0.765 126.0 51.8 -41.2 -32.0 4.6 -20.6 -7.3 29 32 A S H 3> S+ 0 0 52 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.898 111.0 41.8 -82.3 -37.9 7.9 -22.2 -8.0 30 33 A E H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.876 113.1 55.6 -70.0 -39.5 9.7 -19.3 -9.8 31 34 A L H X S+ 0 0 2 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.901 101.9 61.5 -54.1 -36.9 8.2 -16.9 -7.3 32 35 A K H X S+ 0 0 83 -4,-1.1 4,-1.8 -5,-0.4 -1,-0.2 0.929 108.3 37.7 -57.6 -52.6 9.9 -19.1 -4.7 33 36 A E H X S+ 0 0 47 -4,-1.2 4,-2.7 2,-0.2 5,-0.4 0.833 116.4 54.2 -71.9 -35.4 13.4 -18.5 -5.9 34 37 A L H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.995 113.3 41.5 -55.9 -62.5 12.7 -14.9 -6.7 35 38 A L H X5S+ 0 0 0 -4,-3.4 4,-0.6 1,-0.2 7,-0.3 0.808 119.5 46.3 -54.6 -36.0 11.4 -14.3 -3.2 36 39 A T H <5S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.905 122.2 29.9 -82.4 -39.2 14.2 -16.3 -1.6 37 40 A R H <5S+ 0 0 151 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.644 129.7 36.8 -94.4 -14.0 17.2 -15.0 -3.5 38 41 A E H <5S+ 0 0 12 -4,-2.4 53,-0.4 -5,-0.4 52,-0.2 0.856 126.6 26.6-103.6 -48.7 16.0 -11.5 -4.1 39 42 A L >X< + 0 0 0 -4,-0.6 3,-2.8 -5,-0.6 4,-0.6 -0.279 69.9 149.6-114.6 39.6 14.0 -10.4 -1.1 40 43 A P G >4 + 0 0 70 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.722 68.2 60.0 -50.7 -31.1 15.6 -12.5 1.6 41 44 A S G 34 S+ 0 0 83 1,-0.2 3,-0.1 -3,-0.2 -5,-0.1 0.479 103.0 53.3 -79.8 -1.7 15.0 -9.9 4.4 42 45 A F G <4 S+ 0 0 77 -3,-2.8 -1,-0.2 -7,-0.3 -6,-0.1 0.587 100.9 57.6-105.6 -9.7 11.3 -10.1 3.8 43 46 A L << + 0 0 21 -3,-0.7 -2,-0.1 -4,-0.6 -1,-0.1 0.177 68.6 179.7-110.9 21.0 10.8 -13.9 4.1 44 47 A G - 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.233 65.3 -53.2 20.4-107.8 12.2 -14.6 7.6 45 48 A K S S+ 0 0 191 1,-0.0 2,-2.9 0, 0.0 3,-0.2 0.401 105.7 106.1-137.7 -8.1 11.7 -18.3 8.1 46 49 A R + 0 0 204 1,-0.2 4,-0.1 5,-0.1 -1,-0.0 -0.441 42.5 130.1 -70.7 76.2 8.1 -19.0 7.4 47 50 A T + 0 0 51 -2,-2.9 -1,-0.2 2,-0.1 -3,-0.0 0.211 31.4 110.2-116.2 13.6 9.1 -20.6 4.0 48 51 A D S S- 0 0 98 -3,-0.2 2,-0.6 1,-0.1 4,-0.3 0.361 90.2 -75.5 -60.5-153.7 7.2 -23.9 4.2 49 52 A E S S+ 0 0 100 2,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.763 126.2 45.6-116.7 85.7 4.2 -24.5 1.9 50 53 A A S > S+ 0 0 57 -2,-0.6 4,-1.2 -4,-0.1 -1,-0.1 -0.102 112.0 50.9 171.7 -29.8 1.5 -22.3 3.5 51 54 A A H > S+ 0 0 19 2,-0.2 4,-0.8 3,-0.1 -2,-0.1 0.627 119.1 40.8 -89.2 -21.5 3.7 -19.3 4.0 52 55 A F H > S+ 0 0 0 -4,-0.3 4,-1.2 2,-0.2 -3,-0.1 0.631 119.2 44.5 -96.3 -21.4 4.5 -19.8 0.3 53 56 A Q H > S+ 0 0 61 2,-0.2 4,-4.1 3,-0.1 5,-0.3 0.939 110.5 55.2 -81.4 -52.1 0.9 -20.7 -0.6 54 57 A K H X S+ 0 0 110 -4,-1.2 4,-3.8 1,-0.2 -2,-0.2 0.864 109.2 47.6 -28.7 -68.6 -0.4 -17.8 1.5 55 58 A L H X S+ 0 0 27 -4,-0.8 4,-4.7 2,-0.3 5,-0.3 0.893 111.4 49.7 -44.1 -60.3 1.8 -15.4 -0.4 56 59 A M H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.3 -2,-0.2 0.947 114.1 45.3 -49.9 -51.6 0.8 -16.8 -3.8 57 60 A S H < S+ 0 0 35 -4,-4.1 -2,-0.3 2,-0.2 -1,-0.3 0.980 117.7 46.5 -54.9 -47.0 -2.8 -16.5 -2.7 58 61 A N H < S+ 0 0 92 -4,-3.8 -2,-0.3 -5,-0.3 -3,-0.2 0.965 117.7 40.3 -54.4 -62.0 -1.7 -13.0 -1.5 59 62 A L H < S+ 0 0 12 -4,-4.7 2,-1.5 1,-0.2 -1,-0.2 0.773 98.5 78.3 -57.6 -40.0 0.2 -12.0 -4.7 60 63 A D >< + 0 0 3 -4,-2.8 3,-0.9 -5,-0.3 5,-0.2 -0.600 51.0 168.4 -92.7 77.6 -2.3 -13.5 -7.2 61 64 A S T 3 S+ 0 0 97 -2,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.493 80.5 44.2 -61.7 -21.4 -5.1 -10.9 -7.3 62 65 A N T 3 S- 0 0 90 4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.511 105.0-134.0-103.9 -6.2 -6.7 -12.4 -10.4 63 66 A R < + 0 0 111 -3,-0.9 -2,-0.1 -7,-0.2 4,-0.1 0.858 62.6 134.2 56.1 51.1 -6.3 -15.9 -9.0 64 67 A D S S- 0 0 53 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.096 81.1-108.0-103.0 18.2 -5.0 -17.7 -12.1 65 68 A N S S+ 0 0 82 -5,-0.2 -37,-0.5 1,-0.2 2,-0.3 0.828 90.0 93.2 57.3 39.4 -2.4 -19.3 -9.7 66 69 A E S S- 0 0 38 -39,-0.2 2,-0.7 -10,-0.1 -2,-0.4 -0.965 72.3-125.8-159.4 144.9 0.4 -17.1 -11.2 67 70 A V E -A 26 0A 0 -41,-2.9 -41,-3.3 -2,-0.3 2,-0.1 -0.854 29.3-167.3 -96.9 108.9 2.1 -13.8 -10.6 68 71 A D E > -A 25 0A 36 -2,-0.7 4,-2.1 -43,-0.3 5,-0.2 -0.392 38.7 -95.0 -88.7 172.6 2.1 -11.5 -13.6 69 72 A F H > S+ 0 0 12 -45,-0.6 4,-1.4 1,-0.2 5,-0.1 0.854 123.4 49.0 -64.7 -34.5 4.1 -8.3 -13.9 70 73 A Q H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 111.3 48.1 -71.6 -39.3 1.4 -6.0 -12.7 71 74 A E H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.818 110.8 54.2 -68.6 -28.3 0.6 -8.1 -9.6 72 75 A Y H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.806 106.8 49.6 -72.9 -31.1 4.3 -8.1 -8.9 73 76 A C H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.776 108.8 53.3 -77.4 -26.3 4.5 -4.3 -9.1 74 77 A V H X S+ 0 0 80 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.952 110.8 47.0 -65.9 -46.3 1.5 -4.2 -6.6 75 78 A F H >X S+ 0 0 37 -4,-1.9 4,-1.6 2,-0.2 3,-0.6 0.931 111.8 50.1 -56.8 -51.9 3.5 -6.4 -4.3 76 79 A L H 3X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.3 5,-0.2 0.913 107.3 53.4 -58.0 -44.7 6.6 -4.4 -4.6 77 80 A S H 3X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.835 106.7 55.6 -57.5 -28.4 4.7 -1.2 -3.9 78 81 A C H 0 0 89 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.4 19.9 -5.8 -5.9 90 5 B L H > + 0 0 0 -52,-0.2 4,-1.2 1,-0.2 -51,-0.1 0.766 360.0 49.5 -70.4 -26.2 16.1 -5.8 -5.6 91 6 B E H > S+ 0 0 54 -53,-0.4 4,-1.7 2,-0.2 5,-0.2 0.912 109.4 47.1 -82.4 -41.1 16.5 -4.6 -2.0 92 7 B K H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.883 113.6 52.5 -66.5 -30.9 18.9 -1.7 -2.5 93 8 B A H X S+ 0 0 7 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.866 105.0 53.2 -70.1 -35.6 16.6 -0.6 -5.4 94 9 B L H X S+ 0 0 4 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.888 113.5 42.4 -71.7 -27.5 13.5 -0.7 -3.2 95 10 B D H X S+ 0 0 80 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.770 107.9 60.2 -90.2 -15.3 15.1 1.6 -0.6 96 11 B V H X S+ 0 0 28 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.875 108.3 46.2 -64.9 -39.4 16.5 3.7 -3.5 97 12 B M H X S+ 0 0 9 -4,-2.2 4,-1.0 2,-0.1 -2,-0.2 0.869 116.4 45.6 -67.5 -34.0 12.9 4.2 -4.4 98 13 B V H X S+ 0 0 8 -4,-1.4 4,-1.2 2,-0.2 5,-0.2 0.934 114.1 43.9 -74.5 -52.1 12.0 4.9 -0.7 99 14 B S H X S+ 0 0 61 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.776 107.2 62.8 -69.1 -21.1 14.8 7.3 0.3 100 15 B T H >< S+ 0 0 6 -4,-1.1 3,-0.7 -5,-0.3 4,-0.4 0.937 98.9 53.3 -73.7 -40.5 14.4 9.2 -3.0 101 16 B F H >X S+ 0 0 0 -4,-1.0 3,-3.3 1,-0.3 4,-1.4 0.975 109.2 47.3 -51.6 -70.4 10.9 10.3 -2.2 102 17 B H H 3X S+ 0 0 61 -4,-1.2 4,-0.6 1,-0.3 -1,-0.3 0.681 94.4 81.7 -46.8 -14.6 12.0 11.8 1.2 103 18 B K H << S+ 0 0 109 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.778 114.5 7.2 -65.5 -16.2 14.8 13.4 -0.8 104 19 B Y H X> S+ 0 0 0 -3,-3.3 3,-1.5 -4,-0.4 4,-0.5 0.655 112.0 73.8-134.9 -32.2 12.4 16.1 -1.8 105 20 B S H 3< S+ 0 0 0 -4,-1.4 8,-0.6 1,-0.3 3,-0.2 0.737 101.9 50.5 -63.7 -20.8 9.0 16.0 -0.1 106 21 B G T 3< S+ 0 0 26 -4,-0.6 -1,-0.3 -5,-0.3 5,-0.1 0.556 85.8 85.0 -93.7 -6.3 10.6 17.3 3.1 107 22 B K T <4 S+ 0 0 105 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.914 103.3 16.0 -59.8 -42.3 12.3 20.2 1.5 108 23 B E S < S- 0 0 89 -4,-0.5 -1,-0.2 2,-0.2 7,-0.1 -0.959 114.4 -32.0-134.8 146.1 9.2 22.4 1.8 109 24 B G S S+ 0 0 63 -2,-0.3 2,-0.1 2,-0.1 5,-0.0 -0.062 117.8 31.6 51.3-136.4 5.9 22.3 3.7 110 25 B D S > S- 0 0 69 1,-0.2 3,-1.1 2,-0.1 -2,-0.2 -0.326 71.0-155.1 -52.6 119.1 4.4 18.8 4.4 111 26 B K T 3 S+ 0 0 143 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 0.407 88.8 59.3 -82.5 7.1 7.5 16.7 4.8 112 27 B F T 3 S+ 0 0 110 -7,-0.2 45,-0.7 -6,-0.1 2,-0.3 0.306 104.9 49.0-112.3 7.6 5.5 13.6 3.8 113 28 B K E < S-B 156 0B 52 -3,-1.1 2,-0.5 -8,-0.6 43,-0.2 -0.987 74.4-119.9-148.1 154.7 4.4 14.8 0.3 114 29 B L E -B 155 0B 0 41,-2.7 41,-3.3 -2,-0.3 2,-0.2 -0.827 22.8-165.8 -96.9 128.1 5.8 16.4 -2.9 115 30 B N > - 0 0 26 -2,-0.5 4,-3.5 39,-0.2 5,-0.2 -0.419 45.5 -84.0 -96.1-178.3 4.4 19.7 -4.1 116 31 B K H > S+ 0 0 66 2,-0.2 4,-3.5 37,-0.2 5,-0.3 0.946 129.9 45.2 -60.0 -57.1 5.1 21.0 -7.6 117 32 B S H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 118.5 46.3 -47.0 -50.9 8.6 22.5 -7.1 118 33 B E H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 113.0 48.7 -59.1 -45.3 9.4 19.3 -5.1 119 34 B L H X S+ 0 0 6 -4,-3.5 4,-2.0 2,-0.2 5,-0.2 0.895 110.4 51.3 -67.1 -37.6 8.0 17.0 -7.8 120 35 B K H X S+ 0 0 93 -4,-3.5 4,-2.5 -5,-0.2 5,-0.3 0.935 108.3 51.5 -65.7 -44.0 9.8 18.8 -10.6 121 36 B E H X S+ 0 0 51 -4,-2.3 4,-2.4 -5,-0.3 5,-0.5 0.955 111.0 48.0 -52.1 -55.5 13.1 18.5 -8.8 122 37 B L H X>S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.6 0.909 118.5 38.5 -52.7 -53.1 12.7 14.8 -8.2 123 38 B L H X5S+ 0 0 11 -4,-2.0 4,-2.1 3,-0.2 -1,-0.2 0.937 116.9 49.3 -64.6 -55.6 11.7 14.0 -11.9 124 39 B T H <5S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.781 126.7 27.2 -51.6 -40.0 14.1 16.4 -13.5 125 40 B R H <5S+ 0 0 135 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.892 133.7 28.4 -96.0 -50.3 17.0 15.1 -11.4 126 41 B E H <5S+ 0 0 30 -4,-3.4 -123,-0.7 -5,-0.5 -3,-0.2 0.688 130.5 30.9 -90.2 -19.0 16.2 11.5 -10.6 127 42 B L << + 0 0 4 -4,-2.1 -1,-0.2 -5,-0.6 -2,-0.1 -0.301 62.6 139.3-139.4 58.3 14.0 10.6 -13.6 128 43 B P S >> S+ 0 0 59 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.823 70.7 61.6 -68.8 -34.0 15.0 12.5 -16.7 129 44 B S G >4 S+ 0 0 71 1,-0.3 3,-1.7 2,-0.2 2,-1.1 0.974 103.2 45.8 -53.5 -66.5 14.6 9.5 -19.0 130 45 B F G 34 S+ 0 0 73 1,-0.3 -1,-0.3 -7,-0.1 -3,-0.0 -0.016 106.5 74.1 -68.3 31.3 10.9 8.9 -18.5 131 46 B L G X4 + 0 0 32 -2,-1.1 3,-0.6 -3,-1.0 2,-0.5 0.664 67.0 176.2-116.9 -39.4 10.9 12.6 -19.0 132 47 B G T << - 0 0 67 -3,-1.7 -1,-0.1 -4,-0.7 -2,-0.0 -0.501 65.2 -53.2 65.1-112.8 11.5 13.0 -22.7 133 48 B K T 3 S+ 0 0 186 -2,-0.5 2,-2.7 6,-0.0 -1,-0.2 0.479 91.6 123.9-134.4 -19.0 11.3 16.8 -23.4 134 49 B R < + 0 0 142 -3,-0.6 3,-0.0 1,-0.2 -2,-0.0 -0.225 29.5 144.4 -54.9 77.6 8.0 17.9 -21.9 135 50 B T + 0 0 86 -2,-2.7 -1,-0.2 4,-0.1 -3,-0.0 -0.155 24.5 115.2-109.3 29.9 9.8 20.5 -19.8 136 51 B D S S- 0 0 83 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.967 79.4-119.4 -65.6 -90.3 7.3 23.3 -19.9 137 52 B E S > S+ 0 0 147 -3,-0.0 4,-1.0 0, 0.0 -1,-0.1 -0.288 120.3 62.5 164.4 -24.2 5.7 24.2 -16.6 138 53 B A H > S+ 0 0 67 2,-0.2 4,-0.7 3,-0.1 5,-0.1 0.736 99.4 50.1 -87.4 -27.4 2.6 23.2 -18.6 139 54 B A H > S+ 0 0 8 2,-0.2 4,-0.9 1,-0.1 3,-0.5 0.939 113.3 45.5 -72.4 -46.2 4.0 19.6 -19.0 140 55 B F H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.850 103.0 65.3 -63.7 -40.4 4.7 19.2 -15.3 141 56 B Q H X S+ 0 0 77 -4,-1.0 4,-1.1 1,-0.3 -1,-0.2 0.767 112.3 33.1 -62.8 -27.7 1.4 20.7 -14.2 142 57 B K H X S+ 0 0 130 -4,-0.7 4,-2.0 -3,-0.5 -1,-0.3 0.660 113.4 64.5 -96.4 -10.2 -0.6 17.8 -15.7 143 58 B L H < S+ 0 0 55 -4,-0.9 -2,-0.3 2,-0.2 4,-0.3 0.729 112.7 33.8 -68.9 -29.0 2.5 15.8 -14.7 144 59 B M H X S+ 0 0 2 -4,-1.8 4,-1.3 2,-0.1 -2,-0.2 0.685 115.7 57.0 -94.3 -33.0 1.5 16.7 -11.2 145 60 B S H < S+ 0 0 53 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.842 108.6 46.2 -74.6 -28.7 -2.3 16.7 -11.8 146 61 B N T < S+ 0 0 103 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.817 111.7 48.6 -87.2 -19.6 -2.2 13.1 -13.0 147 62 B L T 4 S+ 0 0 24 -4,-0.3 2,-1.8 1,-0.2 3,-0.2 0.857 96.5 79.9 -77.6 -25.5 -0.1 11.6 -10.3 148 63 B D >< + 0 0 11 -4,-1.3 3,-1.2 1,-0.2 5,-0.2 -0.378 54.2 165.3 -81.3 54.7 -2.3 13.4 -7.7 149 64 B S T 3 S+ 0 0 96 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.774 72.4 56.1 -48.0 -34.7 -5.2 10.9 -7.7 150 65 B N T 3 S- 0 0 68 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.929 100.5-132.6 -70.9 -36.5 -6.7 12.4 -4.5 151 66 B R < + 0 0 231 -3,-1.2 -2,-0.1 3,-0.2 -1,-0.1 0.645 68.6 126.9 95.5 17.3 -6.9 15.9 -5.9 152 67 B D S S- 0 0 73 2,-0.3 -3,-0.1 -4,-0.1 3,-0.1 0.085 81.2-113.0 -96.8 24.8 -5.3 17.4 -2.8 153 68 B N S S+ 0 0 92 -5,-0.2 2,-0.3 1,-0.1 -37,-0.2 0.487 87.4 82.8 60.1 15.3 -2.7 19.2 -5.0 154 69 B E S S- 0 0 32 -39,-0.1 2,-0.7 -6,-0.1 -2,-0.3 -0.972 73.7-124.9-142.9 157.1 0.2 17.1 -3.6 155 70 B V E -B 114 0B 0 -41,-3.3 -41,-2.7 -2,-0.3 -7,-0.1 -0.848 26.7-165.1-107.2 109.4 1.8 13.8 -4.2 156 71 B D E > -B 113 0B 27 -2,-0.7 4,-2.4 -43,-0.2 5,-0.2 -0.251 40.3 -93.8 -81.3 177.6 2.1 11.6 -1.1 157 72 B F H > S+ 0 0 11 -45,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.894 124.9 55.1 -61.2 -37.9 4.3 8.5 -1.0 158 73 B Q H > S+ 0 0 123 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.960 110.2 46.2 -52.9 -54.8 1.5 6.1 -2.0 159 74 B E H > S+ 0 0 6 2,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.849 109.0 52.9 -60.5 -47.0 0.9 8.2 -5.1 160 75 B Y H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.895 108.5 56.3 -52.7 -43.1 4.6 8.4 -6.0 161 76 B C H X S+ 0 0 7 -4,-2.4 4,-1.8 2,-0.2 -2,-0.3 0.908 104.8 46.9 -54.7 -55.2 4.4 4.6 -5.7 162 77 B V H X S+ 0 0 85 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.841 113.1 52.9 -61.6 -34.1 1.6 4.2 -8.3 163 78 B F H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 107.1 49.2 -62.5 -50.1 3.6 6.5 -10.5 164 79 B L H X S+ 0 0 9 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.851 113.0 49.1 -59.8 -32.8 6.8 4.4 -10.2 165 80 B S H X S+ 0 0 13 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.876 106.9 52.4 -81.1 -36.8 4.9 1.3 -11.0 166 81 B C H X S+ 0 0 61 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.931 111.4 49.3 -57.5 -41.0 3.1 2.7 -14.1 167 82 B I H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.839 111.8 48.6 -67.5 -31.4 6.6 3.6 -15.3 168 83 B A H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.918 113.0 46.4 -68.4 -48.1 7.7 0.1 -14.5 169 84 B M H X S+ 0 0 45 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.881 112.5 52.3 -61.8 -39.9 4.7 -1.4 -16.3 170 85 B M H X S+ 0 0 106 -4,-2.8 4,-0.8 -5,-0.2 -2,-0.2 0.952 114.3 40.1 -62.9 -54.1 5.3 0.9 -19.3 171 86 B C H >X S+ 0 0 26 -4,-2.0 3,-3.0 2,-0.2 4,-2.5 0.987 110.7 57.4 -61.4 -56.7 9.0 0.0 -19.7 172 87 B N H 3< S+ 0 0 22 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 104.1 53.3 -32.0 -67.5 8.4 -3.7 -19.0 173 88 B E H 3< S+ 0 0 140 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.638 117.8 38.7 -45.0 -26.6 6.0 -3.7 -22.0 174 89 B F H << 0 0 182 -3,-3.0 -1,-0.2 -4,-0.8 -2,-0.2 0.930 360.0 360.0 -85.4 -57.9 8.7 -2.2 -24.0 175 90 B F < 0 0 198 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.910 360.0 360.0 108.6 360.0 11.7 -4.1 -22.6