==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 30-SEP-02 1MWN . COMPND 2 MOLECULE: S-100 PROTEIN, BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.G.INMAN,R.YANG,R.R.RUSTANDI,K.E.MILLER,D.M.BALDISSERI, . 206 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 69.9 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 2.9 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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 2 0 0 0 0 0 4 0 0 0 0 0 2 2 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 S >> 0 0 80 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 47.5 50.6 -0.6 -7.0 2 2 A E H 3> + 0 0 86 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.895 360.0 74.6 -61.0 -36.4 51.1 0.2 -3.3 3 3 A L H 3> S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.804 90.8 63.0 -47.3 -23.8 54.8 0.8 -4.0 4 4 A E H <> S+ 0 0 73 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.991 111.9 29.2 -67.9 -59.2 53.4 4.0 -5.5 5 5 A K H X S+ 0 0 87 -4,-0.7 4,-1.8 -3,-0.3 -2,-0.2 0.872 121.0 55.9 -70.1 -33.4 51.9 5.5 -2.2 6 6 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.928 103.6 53.4 -65.9 -41.0 54.6 3.7 -0.1 7 7 A M H X S+ 0 0 11 -4,-2.1 4,-2.6 -5,-0.4 5,-0.2 0.929 106.0 53.7 -60.6 -40.3 57.4 5.4 -2.1 8 8 A V H X S+ 0 0 78 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.931 108.0 51.4 -60.0 -40.5 55.9 8.8 -1.4 9 9 A A H X S+ 0 0 5 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.950 109.0 49.2 -62.4 -46.8 56.0 7.9 2.2 10 10 A L H X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.927 110.0 51.8 -60.9 -41.3 59.7 6.9 2.1 11 11 A I H X S+ 0 0 17 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.930 113.5 44.5 -62.6 -40.4 60.5 10.2 0.3 12 12 A D H X S+ 0 0 75 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.922 108.8 56.5 -70.0 -39.9 58.7 12.1 3.0 13 13 A V H X>S+ 0 0 3 -4,-3.1 4,-1.4 1,-0.2 5,-0.5 0.897 100.6 61.3 -58.6 -35.8 60.3 10.0 5.8 14 14 A F H X5S+ 0 0 23 -4,-2.1 4,-1.3 -5,-0.2 5,-0.3 0.955 114.4 31.6 -57.2 -49.4 63.6 11.1 4.3 15 15 A H H X5S+ 0 0 63 -4,-1.3 4,-0.8 -3,-0.2 -1,-0.2 0.727 107.0 74.6 -80.8 -22.6 62.9 14.8 5.0 16 16 A Q H <5S+ 0 0 129 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.912 119.5 8.2 -59.6 -42.5 60.8 14.1 8.1 17 17 A Y H >X5S+ 0 0 5 -4,-1.4 3,-1.3 -3,-0.2 4,-0.6 0.707 122.6 64.8-110.3 -31.0 63.9 13.2 10.3 18 18 A S H 3<> -A 67 0A 107 -2,-0.5 4,-2.6 39,-0.2 3,-1.1 -0.743 35.3-105.7-100.5 148.9 75.0 11.8 11.3 29 29 A K H 3> S+ 0 0 73 37,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.853 122.1 57.0 -40.7 -40.6 74.8 8.9 13.7 30 30 A S H 3> S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.942 110.6 41.7 -61.5 -43.9 73.1 11.2 16.2 31 31 A E H <> S+ 0 0 18 -3,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.917 114.2 52.6 -70.0 -40.0 70.3 12.0 13.7 32 32 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.906 100.8 61.0 -63.4 -38.0 70.1 8.4 12.5 33 33 A K H X S+ 0 0 70 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.933 105.9 48.1 -55.8 -40.0 69.7 7.2 16.1 34 34 A E H X S+ 0 0 60 -4,-1.2 4,-3.0 -5,-0.2 5,-0.4 0.929 109.9 52.6 -66.5 -40.2 66.5 9.3 16.2 35 35 A L H X>S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.5 0.955 114.1 41.6 -60.1 -49.5 65.4 7.8 12.9 36 36 A I H X5S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.929 124.0 37.7 -66.1 -43.5 65.8 4.2 14.2 37 37 A N H <5S+ 0 0 52 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.750 119.4 48.2 -80.5 -23.1 64.3 5.0 17.7 38 38 A N H <5S+ 0 0 80 -4,-3.0 3,-0.2 -5,-0.3 -3,-0.2 0.792 123.7 29.2 -89.0 -27.3 61.6 7.4 16.3 39 39 A E H <5S+ 0 0 3 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.711 135.0 31.9-101.8 -24.9 60.3 5.1 13.5 40 40 A L S < S- 0 0 100 1,-0.1 4,-1.0 0, 0.0 3,-0.2 -0.890 72.1-132.7-124.5 157.9 72.9 2.6 23.6 50 50 A Q H > S+ 0 0 130 -2,-0.3 4,-4.4 1,-0.2 5,-0.2 0.726 101.0 74.8 -78.5 -20.9 75.3 4.1 21.1 51 51 A E H > S+ 0 0 106 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.924 96.1 46.8 -60.1 -41.1 76.7 0.6 20.5 52 52 A V H > S+ 0 0 10 -3,-0.2 4,-3.2 2,-0.2 5,-0.2 0.970 116.7 45.3 -64.4 -46.3 73.6 -0.4 18.5 53 53 A V H X S+ 0 0 4 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.927 113.5 49.5 -61.1 -44.7 74.0 2.8 16.6 54 54 A D H X S+ 0 0 50 -4,-4.4 4,-1.9 2,-0.2 -2,-0.2 0.943 116.1 41.9 -64.1 -42.7 77.7 2.3 16.2 55 55 A K H X S+ 0 0 109 -4,-3.1 4,-1.1 -5,-0.2 -2,-0.2 0.901 115.5 50.8 -70.0 -37.5 77.2 -1.2 14.9 56 56 A V H X S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.3 5,-0.2 0.882 109.2 51.4 -68.1 -35.6 74.3 -0.1 12.8 57 57 A M H X S+ 0 0 9 -4,-2.8 4,-1.7 -5,-0.2 3,-0.4 0.919 102.9 56.7 -70.2 -40.0 76.4 2.8 11.3 58 58 A E H < S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.868 106.2 54.3 -59.9 -27.6 79.2 0.5 10.4 59 59 A T H < S+ 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.874 129.8 13.6 -72.6 -35.3 76.5 -1.3 8.4 60 60 A L H < S+ 0 0 9 -4,-1.2 2,-4.1 -3,-0.4 -2,-0.2 0.817 123.4 58.4-103.6 -58.7 75.5 1.9 6.6 61 61 A D >< + 0 0 5 -4,-1.7 3,-1.8 1,-0.2 5,-0.3 -0.207 63.0 156.8 -69.5 56.8 78.3 4.3 7.2 62 62 A E T 3 + 0 0 149 -2,-4.1 -1,-0.2 1,-0.3 -4,-0.1 0.483 66.4 67.9 -66.5 6.2 80.7 1.8 5.6 63 63 A D T 3 S- 0 0 107 4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.760 98.0-138.9 -93.6 -29.1 82.8 4.9 5.0 64 64 A G < + 0 0 65 -3,-1.8 -2,-0.1 3,-0.2 -6,-0.1 0.610 67.5 125.5 81.1 10.2 83.5 5.3 8.8 65 65 A D S S- 0 0 70 2,-0.2 3,-0.1 1,-0.1 -3,-0.1 0.475 84.7-114.8 -79.5 1.6 83.0 9.1 8.3 66 66 A G S S+ 0 0 27 -5,-0.3 -37,-0.9 1,-0.3 2,-0.3 0.869 84.9 104.0 69.4 31.3 80.4 8.9 11.0 67 67 A E E -A 28 0A 51 -39,-0.2 2,-0.4 -10,-0.1 -4,-0.3 -0.983 56.8-152.6-143.4 155.6 77.8 9.9 8.4 68 68 A C E -A 27 0A 0 -41,-3.6 -41,-2.4 -2,-0.3 2,-0.1 -0.989 14.0-146.7-132.7 126.7 75.1 8.2 6.4 69 69 A D > - 0 0 56 -2,-0.4 4,-3.2 -43,-0.2 5,-0.3 -0.381 36.1 -98.8 -85.0 170.1 73.9 9.4 3.0 70 70 A F H > S+ 0 0 88 -45,-0.4 4,-2.4 1,-0.2 5,-0.2 0.935 128.4 49.7 -54.8 -43.2 70.3 9.1 1.7 71 71 A Q H > S+ 0 0 125 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.916 112.6 47.0 -63.4 -40.7 71.4 6.1 -0.3 72 72 A E H > S+ 0 0 30 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.916 113.4 47.4 -69.3 -39.9 73.1 4.6 2.9 73 73 A F H >X S+ 0 0 10 -4,-3.2 4,-1.2 1,-0.2 3,-0.5 0.892 106.1 58.8 -67.9 -37.6 70.0 5.3 5.1 74 74 A M H 3X S+ 0 0 10 -4,-2.4 4,-1.2 -5,-0.3 3,-0.2 0.880 101.1 56.5 -60.6 -34.6 67.7 3.8 2.5 75 75 A A H 3X S+ 0 0 51 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.844 95.6 65.0 -68.0 -29.7 69.6 0.5 2.8 76 76 A F H X S+ 0 0 27 -4,-3.4 3,-0.8 1,-0.2 4,-0.5 0.921 105.8 55.5 -61.1 -40.2 61.0 -8.2 9.6 85 85 A H H >< S+ 0 0 50 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 0.905 98.2 62.1 -60.3 -38.0 60.0 -10.5 6.7 86 86 A E H 3< S+ 0 0 109 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.862 87.1 74.0 -57.6 -31.0 61.8 -13.4 8.5 87 87 A F H << S+ 0 0 101 -4,-1.0 2,-0.7 -3,-0.8 -1,-0.3 0.867 85.9 73.7 -51.6 -32.7 59.3 -12.9 11.3 88 88 A F S << S+ 0 0 118 -3,-1.8 2,-0.1 -4,-0.5 -1,-0.1 -0.727 70.3 178.7 -86.8 116.7 56.7 -14.6 9.0 89 89 A E - 0 0 129 -2,-0.7 -2,-0.0 1,-0.0 -1,-0.0 -0.152 52.6 -69.1 -99.3-162.1 57.5 -18.3 8.8 90 90 A H 0 0 200 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.913 360.0 360.0 -60.1 -40.3 55.6 -21.0 6.8 91 91 A E 0 0 204 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.420 360.0 360.0 -75.9 360.0 52.6 -20.7 9.2 92 !* 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 93 1 B S >> 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 48.0 56.2 7.3 12.0 94 2 B E H 3> + 0 0 86 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.889 360.0 74.5 -60.8 -35.4 55.0 6.7 8.4 95 3 B L H 3> S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.801 90.9 62.9 -48.9 -22.2 58.0 4.4 7.9 96 4 B E H <> S+ 0 0 73 -3,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.991 112.0 29.3 -68.8 -59.3 55.8 2.1 10.0 97 5 B K H X S+ 0 0 87 -4,-0.7 4,-1.8 -3,-0.2 -2,-0.2 0.875 120.8 56.0 -70.0 -33.8 52.8 1.8 7.6 98 6 B A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.930 103.6 53.5 -65.4 -41.3 55.1 2.3 4.6 99 7 B M H X S+ 0 0 11 -4,-2.0 4,-2.6 -5,-0.4 5,-0.2 0.925 105.9 53.5 -60.5 -40.4 57.3 -0.7 5.6 100 8 B V H X S+ 0 0 78 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.928 108.0 51.5 -60.0 -40.4 54.2 -2.9 5.8 101 9 B A H X S+ 0 0 3 -4,-1.8 4,-3.1 1,-0.2 5,-0.2 0.946 109.0 49.2 -62.7 -45.7 53.4 -1.8 2.3 102 10 B L H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 110.0 51.7 -61.9 -41.1 56.9 -2.7 1.1 103 11 B I H X S+ 0 0 16 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.933 113.5 44.5 -62.6 -40.5 56.6 -6.2 2.8 104 12 B D H X S+ 0 0 72 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.923 108.7 56.5 -70.0 -39.8 53.3 -6.7 1.0 105 13 B V H X>S+ 0 0 4 -4,-3.1 4,-1.4 1,-0.2 5,-0.5 0.899 100.6 61.3 -58.5 -36.6 54.7 -5.4 -2.3 106 14 B F H X5S+ 0 0 21 -4,-2.1 4,-1.3 1,-0.2 5,-0.3 0.953 114.4 31.8 -56.6 -49.4 57.4 -8.1 -2.0 107 15 B H H X5S+ 0 0 63 -4,-1.3 4,-0.9 -3,-0.2 -1,-0.2 0.730 106.8 74.5 -80.9 -22.2 54.8 -10.9 -2.1 108 16 B Q H <5S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.913 119.6 8.2 -60.1 -42.3 52.4 -9.1 -4.3 109 17 B Y H >X5S+ 0 0 6 -4,-1.4 3,-1.3 -3,-0.2 4,-0.6 0.709 122.5 64.9-110.2 -31.0 54.5 -9.6 -7.5 110 18 B S H 3<> -B 159 0B 108 -2,-0.5 4,-2.6 39,-0.2 3,-1.1 -0.734 35.3-105.7 -99.4 149.0 63.8 -13.6 -12.3 121 29 B K H 3> S+ 0 0 72 37,-0.9 4,-2.6 -2,-0.3 5,-0.2 0.853 122.1 57.0 -40.8 -40.7 64.3 -10.7 -14.8 122 30 B S H 3> S+ 0 0 76 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.942 110.5 41.9 -61.7 -43.5 60.9 -11.6 -16.3 123 31 B E H <> S+ 0 0 20 -3,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.920 114.1 52.5 -70.1 -39.8 59.1 -11.2 -12.9 124 32 B L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.906 100.9 61.0 -63.1 -38.3 61.0 -8.1 -12.1 125 33 B K H X S+ 0 0 69 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.933 105.8 48.0 -55.8 -39.9 60.0 -6.6 -15.5 126 34 B E H X S+ 0 0 61 -4,-1.2 4,-3.1 2,-0.2 5,-0.4 0.927 109.9 52.5 -66.7 -40.3 56.5 -6.9 -14.3 127 35 B L H X>S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 5,-0.5 0.956 114.0 41.6 -59.9 -50.0 57.4 -5.3 -10.9 128 36 B I H X5S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.931 124.1 37.6 -65.7 -43.4 59.0 -2.3 -12.6 129 37 B N H <5S+ 0 0 53 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.752 119.5 48.3 -80.4 -23.5 56.2 -2.0 -15.2 130 38 B N H <5S+ 0 0 79 -4,-3.1 3,-0.2 -5,-0.3 -3,-0.2 0.794 123.8 29.1 -88.6 -27.6 53.4 -2.9 -12.8 131 39 B E H <5S+ 0 0 4 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.707 135.1 31.7-102.0 -24.4 54.4 -0.5 -9.9 132 40 B L S < S- 0 0 101 1,-0.1 4,-1.0 0, 0.0 3,-0.2 -0.895 72.1-132.7-124.8 157.8 62.3 -3.3 -24.0 142 50 B Q H > S+ 0 0 132 -2,-0.3 4,-4.5 1,-0.2 5,-0.3 0.725 101.0 74.8 -78.8 -20.7 64.4 -6.0 -22.3 143 51 B E H > S+ 0 0 108 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.926 96.1 46.7 -60.0 -41.5 67.4 -3.7 -22.6 144 52 B V H > S+ 0 0 8 -3,-0.2 4,-3.2 2,-0.2 5,-0.2 0.971 116.8 45.1 -63.9 -46.8 66.1 -1.5 -19.7 145 53 B V H X S+ 0 0 4 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.927 113.7 49.3 -61.1 -44.8 65.4 -4.7 -17.8 146 54 B D H X S+ 0 0 50 -4,-4.5 4,-1.9 2,-0.2 -2,-0.2 0.940 116.2 41.9 -64.0 -42.5 68.8 -6.1 -18.8 147 55 B K H X S+ 0 0 106 -4,-3.1 4,-1.1 -5,-0.3 -2,-0.2 0.901 115.6 50.8 -70.1 -37.5 70.6 -2.9 -17.7 148 56 B V H X S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.3 5,-0.2 0.879 109.2 51.5 -68.1 -35.4 68.4 -2.7 -14.6 149 57 B M H X S+ 0 0 9 -4,-2.7 4,-1.7 -5,-0.2 3,-0.4 0.920 102.9 56.7 -70.4 -39.9 69.2 -6.3 -13.7 150 58 B E H < S+ 0 0 143 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 106.2 54.3 -59.8 -27.8 73.0 -5.8 -13.9 151 59 B T H < S+ 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.875 129.8 13.7 -72.4 -35.4 72.3 -3.0 -11.4 152 60 B L H < S+ 0 0 9 -4,-1.2 2,-4.0 -3,-0.4 -2,-0.2 0.819 123.4 58.5-103.2 -58.7 70.6 -5.5 -9.0 153 61 B D >< + 0 0 6 -4,-1.7 3,-1.8 1,-0.2 5,-0.3 -0.207 62.8 156.8 -69.4 56.8 71.5 -8.9 -10.3 154 62 B E T 3 + 0 0 150 -2,-4.0 -1,-0.2 1,-0.3 -4,-0.1 0.481 66.5 67.9 -66.7 6.7 75.1 -8.0 -9.9 155 63 B D T 3 S- 0 0 106 4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.760 97.9-138.9 -93.9 -29.3 75.6 -11.8 -9.8 156 64 B G < + 0 0 65 -3,-1.8 -2,-0.1 3,-0.2 -6,-0.1 0.612 67.6 125.4 81.3 9.9 74.6 -12.2 -13.5 157 65 B D S S- 0 0 71 2,-0.3 3,-0.1 1,-0.1 -3,-0.1 0.470 84.7-114.9 -79.8 2.2 72.7 -15.3 -12.5 158 66 B G S S+ 0 0 26 -5,-0.3 -37,-0.9 1,-0.3 2,-0.3 0.865 84.8 104.0 68.9 31.0 69.7 -13.6 -14.2 159 67 B E E -B 120 0B 52 -39,-0.2 2,-0.4 -10,-0.1 -4,-0.3 -0.982 56.7-152.9-142.9 155.5 68.0 -13.4 -10.8 160 68 B C E -B 119 0B 0 -41,-3.6 -41,-2.4 -2,-0.3 2,-0.1 -0.989 14.1-146.7-132.5 127.0 67.3 -10.8 -8.1 161 69 B D > - 0 0 58 -2,-0.4 4,-3.2 -43,-0.2 5,-0.3 -0.388 36.1 -98.5 -85.5 169.9 66.9 -11.7 -4.4 162 70 B F H > S+ 0 0 83 -45,-0.4 4,-2.4 1,-0.2 5,-0.2 0.934 128.5 49.6 -54.5 -43.3 64.6 -9.8 -2.0 163 71 B Q H > S+ 0 0 127 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.913 112.6 47.1 -63.2 -40.6 67.6 -7.8 -0.8 164 72 B E H > S+ 0 0 34 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.918 113.4 47.4 -69.6 -39.8 68.6 -7.0 -4.4 165 73 B F H >X S+ 0 0 10 -4,-3.2 4,-1.2 1,-0.2 3,-0.5 0.891 106.2 58.7 -67.8 -37.8 65.1 -6.0 -5.4 166 74 B M H 3X S+ 0 0 11 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.879 101.1 56.6 -60.9 -33.9 64.7 -3.8 -2.3 167 75 B A H 3X S+ 0 0 49 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.843 95.4 65.0 -68.5 -29.5 67.8 -1.9 -3.5 168 76 B F H X S+ 0 0 28 -4,-3.4 3,-0.8 1,-0.2 4,-0.5 0.922 105.9 55.3 -61.3 -40.5 62.6 10.5 -7.8 177 85 B H H >< S+ 0 0 49 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.2 0.906 98.2 62.2 -60.1 -38.7 63.9 12.8 -5.0 178 86 B E H 3< S+ 0 0 109 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.863 87.2 73.8 -56.9 -31.6 66.1 14.6 -7.5 179 87 B F H << S+ 0 0 102 -4,-1.0 2,-0.7 -3,-0.8 -1,-0.3 0.873 86.1 73.4 -51.1 -34.0 62.9 15.6 -9.3 180 88 B F S << S+ 0 0 121 -3,-1.8 2,-0.1 -4,-0.5 -1,-0.1 -0.719 70.4 178.7 -85.9 117.2 62.4 18.0 -6.4 181 89 B E - 0 0 131 -2,-0.7 -2,-0.0 1,-0.0 -1,-0.0 -0.157 52.6 -69.0 -99.5-161.8 64.9 20.9 -6.7 182 90 B H 0 0 201 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.912 360.0 360.0 -60.4 -39.8 65.3 24.0 -4.5 183 91 B E 0 0 205 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.419 360.0 360.0 -76.0 360.0 61.9 25.3 -5.7 184 !* 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 0.0 185 1 X T 0 0 199 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.3 50.7 -12.9 22.2 186 2 X R + 0 0 190 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.993 360.0 166.3-137.3 130.9 53.5 -10.4 21.4 187 3 X T - 0 0 97 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.943 27.3-128.4-139.6 161.0 57.2 -11.0 20.9 188 4 X K - 0 0 100 -2,-0.3 -144,-0.1 1,-0.2 -145,-0.1 -0.897 18.7-132.0-113.4 140.8 60.2 -9.1 19.5 189 5 X I - 0 0 56 -2,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.566 46.3 -79.0 -61.1-134.4 62.6 -10.4 16.8 190 6 X D > - 0 0 78 1,-0.1 4,-1.4 2,-0.0 5,-0.1 -0.933 24.2-163.9-142.5 120.6 66.3 -10.1 17.5 191 7 X W H > S+ 0 0 35 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.916 96.3 57.1 -65.7 -40.2 68.6 -6.9 17.2 192 8 X N H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 102.3 53.5 -60.3 -41.4 71.7 -9.2 17.3 193 9 X K H 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.924 111.7 46.7 -60.3 -39.9 70.5 -11.2 14.3 194 10 X I H < S+ 0 0 15 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 107.6 55.1 -70.0 -40.5 70.1 -7.9 12.4 195 11 X L H < 0 0 41 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.919 360.0 360.0 -60.2 -40.0 73.5 -6.5 13.5 196 12 X S < 0 0 132 -4,-2.0 -3,-0.1 -5,-0.2 -4,-0.1 0.119 360.0 360.0-163.3 360.0 75.2 -9.6 12.1 197 !* 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 0.0 198 1 Y T 0 0 202 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.8 52.4 20.7 -16.5 199 2 Y R + 0 0 185 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.993 360.0 166.3-136.1 131.3 53.6 17.1 -16.5 200 3 Y T - 0 0 98 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.946 27.3-128.5-139.8 160.7 57.1 15.8 -17.3 201 4 Y K - 0 0 102 -2,-0.3 -65,-0.1 1,-0.2 -66,-0.0 -0.895 18.5-132.2-112.9 141.2 59.1 12.5 -16.8 202 5 Y I - 0 0 52 -2,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.564 46.2 -79.4 -61.6-134.5 62.5 12.3 -15.2 203 6 Y D > - 0 0 82 1,-0.1 4,-1.4 2,-0.0 5,-0.1 -0.934 24.1-163.9-142.8 120.9 65.2 10.2 -17.1 204 7 Y W H > S+ 0 0 33 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.914 96.1 57.1 -66.1 -40.3 65.5 6.4 -17.3 205 8 Y N H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 102.3 53.6 -59.9 -41.6 69.1 6.9 -18.7 206 9 Y K H 4 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.922 111.7 46.5 -60.3 -39.7 70.2 8.9 -15.7 207 10 Y I H < S+ 0 0 14 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 107.5 55.2 -70.3 -40.7 68.9 6.0 -13.5 208 11 Y L H < 0 0 40 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.914 360.0 360.0 -60.1 -39.3 70.6 3.3 -15.5 209 12 Y S < 0 0 134 -4,-2.0 -3,-0.1 -5,-0.2 -4,-0.1 0.109 360.0 360.0-164.3 360.0 74.0 5.1 -15.1