==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 29-OCT-93 1REC . COMPND 2 MOLECULE: RECOVERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.M.FLAHERTY,S.ZOZULYA,L.STRYER,D.B.MCKAY . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 65.9 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 . 7 3.8 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 48.1 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+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 1 1 0 1 2 0 2 2 2 0 1 0 0 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 1 1 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 9 A L > 0 0 67 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -56.7 53.1 27.1 27.0 2 10 A S H > + 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.917 360.0 36.7 -65.8 -39.6 53.6 30.5 28.7 3 11 A K H > S+ 0 0 55 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.813 117.2 54.8 -76.7 -32.7 50.5 32.0 26.9 4 12 A E H > S+ 0 0 82 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.889 112.4 41.9 -66.6 -43.1 48.8 28.6 27.4 5 13 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.4 0.965 115.1 49.9 -67.2 -54.1 49.5 28.7 31.2 6 14 A L H X S+ 0 0 41 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.815 110.9 52.6 -54.3 -33.1 48.6 32.4 31.4 7 15 A E H < S+ 0 0 123 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.902 111.7 43.5 -71.5 -42.0 45.4 31.4 29.5 8 16 A E H < S+ 0 0 97 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.835 123.3 36.0 -73.3 -36.3 44.5 28.7 32.0 9 17 A L H >< S+ 0 0 14 -4,-2.8 3,-1.9 1,-0.2 2,-0.9 0.905 78.6 154.5 -80.3 -45.5 45.3 30.7 35.1 10 18 A Q G >< S+ 0 0 139 -4,-2.0 3,-0.8 -5,-0.4 -1,-0.2 -0.393 77.7 19.2 53.9 -93.9 44.1 34.0 33.6 11 19 A L G 3 S+ 0 0 142 -2,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.758 122.6 60.6 -77.1 -21.5 43.2 35.9 36.8 12 20 A N G < S+ 0 0 11 -3,-1.9 -1,-0.2 76,-0.1 -2,-0.1 0.558 77.0 121.7 -82.9 -7.4 45.2 33.6 39.2 13 21 A T < - 0 0 42 -3,-0.8 71,-0.0 -7,-0.2 63,-0.0 -0.274 37.5-178.0 -67.2 140.2 48.6 34.3 37.6 14 22 A K + 0 0 132 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.167 69.3 64.4-113.5 10.5 51.6 35.8 39.5 15 23 A F - 0 0 71 4,-0.0 2,-0.2 -9,-0.0 -2,-0.0 -0.948 69.9-134.8-138.3 155.2 53.8 35.9 36.5 16 24 A T > - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.603 41.2-102.8 -97.6 167.8 54.0 37.5 33.1 17 25 A E H > S+ 0 0 102 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.841 123.5 53.2 -60.3 -35.3 54.9 35.4 30.0 18 26 A E H > S+ 0 0 165 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 110.7 45.6 -67.9 -41.5 58.5 36.7 30.1 19 27 A E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.854 111.5 52.2 -69.4 -37.7 58.9 35.6 33.7 20 28 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.909 108.9 51.9 -65.3 -38.2 57.3 32.3 33.0 21 29 A S H X S+ 0 0 49 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.864 109.3 49.1 -66.1 -35.5 59.8 31.9 30.1 22 30 A S H X S+ 0 0 74 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.951 111.7 47.6 -68.1 -49.0 62.7 32.7 32.6 23 31 A W H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 111.0 54.5 -55.6 -44.6 61.4 30.1 35.1 24 32 A Y H X S+ 0 0 70 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.918 104.3 51.5 -56.6 -49.6 61.1 27.7 32.2 25 33 A Q H X S+ 0 0 128 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.913 113.5 46.8 -56.6 -39.8 64.7 28.1 31.1 26 34 A S H X S+ 0 0 72 -4,-1.9 4,-1.3 2,-0.2 3,-0.5 0.915 109.5 53.2 -67.1 -44.7 65.7 27.4 34.6 27 35 A F H X S+ 0 0 13 -4,-2.8 4,-3.3 1,-0.2 3,-0.4 0.907 106.6 53.2 -57.4 -45.2 63.4 24.4 34.9 28 36 A L H < S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.773 101.1 59.1 -64.2 -28.3 64.9 22.9 31.7 29 37 A K H < S+ 0 0 169 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.895 116.8 35.0 -68.8 -31.0 68.4 23.2 33.2 30 38 A E H < S+ 0 0 158 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.868 134.5 24.6 -86.8 -41.9 67.2 21.0 36.0 31 39 A C >< - 0 0 24 -4,-3.3 3,-2.5 -5,-0.1 -1,-0.3 -0.758 68.4-175.8-127.6 81.4 64.8 18.7 34.0 32 40 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.704 83.2 59.3 -50.1 -29.3 66.0 18.8 30.3 33 41 A S T 3 S- 0 0 86 2,-0.2 3,-0.1 1,-0.0 -5,-0.1 0.648 105.4-128.8 -77.2 -15.7 63.1 16.7 29.2 34 42 A G S < S+ 0 0 3 -3,-2.5 37,-0.8 1,-0.3 2,-0.3 0.671 74.7 107.1 76.3 17.8 60.6 19.3 30.5 35 43 A R E -A 70 0A 128 35,-0.2 2,-0.4 -4,-0.1 -1,-0.3 -0.954 52.8-159.1-129.2 144.3 58.7 16.7 32.4 36 44 A I E -A 69 0A 8 33,-2.6 33,-2.6 -2,-0.3 2,-0.1 -0.987 15.3-136.9-128.6 129.9 58.6 16.0 36.2 37 45 A T E > -A 68 0A 49 -2,-0.4 4,-2.5 31,-0.2 31,-0.2 -0.388 28.6-104.7 -79.5 167.9 57.6 12.7 37.7 38 46 A R H > S+ 0 0 109 29,-0.9 4,-2.7 1,-0.2 5,-0.2 0.912 122.6 52.4 -58.7 -41.4 55.4 12.2 40.7 39 47 A Q H > S+ 0 0 141 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 110.1 47.3 -63.9 -40.3 58.4 11.4 42.8 40 48 A E H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.888 112.6 50.5 -67.1 -37.6 60.1 14.6 41.8 41 49 A F H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.7 0.908 107.9 51.7 -65.9 -45.0 57.0 16.6 42.5 42 50 A Q H 3X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.842 102.2 62.2 -60.4 -36.6 56.5 15.1 46.0 43 51 A T H 3X S+ 0 0 76 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.821 96.4 58.3 -61.8 -31.7 60.1 16.0 46.8 44 52 A I H < + 0 0 47 -4,-1.3 3,-0.6 -3,-0.2 -1,-0.2 -0.687 64.0 162.3-131.9 71.5 57.0 21.8 54.3 50 58 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 71.3 54.4 -61.7 -35.6 59.6 20.4 56.8 51 59 A E T 3 S+ 0 0 108 -3,-0.1 2,-0.1 69,-0.1 -5,-0.1 0.693 108.1 51.6 -75.9 -19.0 57.1 20.3 59.7 52 60 A A S < S- 0 0 22 -3,-0.6 68,-0.2 -6,-0.1 -3,-0.1 -0.351 82.5-112.9-109.8-174.1 54.4 18.3 57.9 53 61 A D + 0 0 79 66,-2.7 4,-0.3 63,-0.1 3,-0.3 -0.813 38.2 169.9-123.7 87.0 54.0 15.1 55.9 54 62 A P > + 0 0 5 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.365 45.0 100.9 -79.5 -1.0 53.1 16.3 52.4 55 63 A K H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 86.0 39.5 -53.1 -60.9 53.4 13.0 50.5 56 64 A A H > S+ 0 0 21 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.916 118.5 50.8 -56.7 -42.8 49.7 12.1 50.2 57 65 A Y H > S+ 0 0 4 59,-0.3 4,-2.3 -4,-0.3 -2,-0.2 0.949 111.1 45.7 -60.9 -53.1 48.8 15.7 49.5 58 66 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.875 112.0 53.2 -60.8 -37.9 51.4 16.2 46.8 59 67 A Q H X S+ 0 0 76 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.892 110.0 47.0 -64.2 -42.6 50.3 12.8 45.2 60 68 A H H X S+ 0 0 17 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.861 112.7 49.1 -65.5 -41.3 46.7 14.0 45.1 61 69 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 3,-0.4 0.949 113.0 47.7 -62.9 -46.7 47.6 17.3 43.6 62 70 A F H >< S+ 0 0 18 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.934 111.5 51.9 -57.2 -47.8 49.8 15.6 41.0 63 71 A R H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.783 93.7 70.9 -59.8 -33.7 46.9 13.2 40.3 64 72 A S H 3< 0 0 18 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.738 360.0 360.0 -59.1 -23.9 44.4 16.0 39.7 65 73 A F << 0 0 75 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.917 360.0 360.0 -90.8 360.0 46.3 16.7 36.4 66 ! 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 67 79 A G 0 0 99 0, 0.0 -29,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -84.9 53.5 9.3 34.6 68 80 A T E -A 37 0A 66 -31,-0.2 2,-0.3 -30,-0.1 -31,-0.2 -0.829 360.0-128.5-143.3 170.1 54.8 12.9 34.6 69 81 A L E -A 36 0A 3 -33,-2.6 -33,-2.6 -2,-0.3 2,-0.1 -0.895 24.7-135.6-117.3 148.4 53.6 16.5 34.6 70 82 A D E > -A 35 0A 43 -2,-0.3 4,-2.2 -35,-0.2 -35,-0.2 -0.436 37.7 -90.5 -93.7 178.4 54.9 19.0 32.0 71 83 A F H > S+ 0 0 3 -37,-0.8 4,-2.7 1,-0.2 5,-0.2 0.892 124.2 56.7 -57.2 -39.0 56.0 22.5 33.0 72 84 A K H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 111.0 40.6 -58.9 -50.5 52.5 23.9 32.4 73 85 A E H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 113.3 56.1 -67.3 -34.7 50.8 21.6 34.8 74 86 A Y H X S+ 0 0 27 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.944 109.3 45.5 -62.8 -47.5 53.7 22.0 37.3 75 87 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.878 114.3 48.5 -62.1 -43.4 53.3 25.8 37.3 76 88 A I H X S+ 0 0 12 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.931 108.0 54.6 -63.8 -44.2 49.5 25.5 37.7 77 89 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.886 108.5 48.9 -55.9 -44.9 49.8 23.0 40.5 78 90 A L H X S+ 0 0 36 -4,-1.8 4,-1.3 2,-0.2 5,-0.3 0.848 112.3 48.5 -65.6 -34.6 52.0 25.4 42.5 79 91 A H H X S+ 0 0 6 -4,-1.6 4,-2.6 3,-0.2 -2,-0.2 0.935 109.4 53.2 -70.5 -41.8 49.5 28.2 41.9 80 92 A M H < S+ 0 0 15 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 116.2 37.5 -62.3 -38.5 46.6 26.0 43.0 81 93 A T H < S+ 0 0 1 -4,-1.8 98,-0.3 -5,-0.2 -1,-0.2 0.708 132.5 21.1 -87.4 -18.7 48.2 25.1 46.3 82 94 A S H < S+ 0 0 79 -4,-1.3 2,-0.2 -5,-0.2 -3,-0.2 0.665 109.6 49.6-128.5 -17.1 49.8 28.4 47.1 83 95 A A S < S+ 0 0 20 -4,-2.6 -71,-0.1 -5,-0.3 -1,-0.1 -0.771 80.9 19.4-127.3 167.2 48.4 31.5 45.4 84 96 A G S S- 0 0 21 -2,-0.2 2,-0.4 -73,-0.1 -72,-0.1 0.067 89.3 -51.5 73.0-177.5 45.2 33.2 44.7 85 97 A K > - 0 0 136 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.799 42.9-127.7 -99.8 141.0 41.8 33.0 46.4 86 98 A T G > S+ 0 0 5 -2,-0.4 3,-2.1 1,-0.3 7,-0.2 0.818 105.0 65.5 -52.1 -36.6 40.2 29.6 46.9 87 99 A N G 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.615 96.3 58.0 -67.8 -8.2 36.9 30.7 45.2 88 100 A Q G < S+ 0 0 92 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.488 103.2 53.6 -95.9 -3.0 38.8 31.1 41.9 89 101 A K <> + 0 0 5 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 0.115 68.5 118.3-116.8 19.9 39.9 27.4 42.0 90 102 A L H > S+ 0 0 12 -3,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.848 75.3 50.0 -57.6 -41.6 36.5 25.7 42.4 91 103 A E H > S+ 0 0 97 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.955 115.0 44.4 -61.8 -50.5 36.6 23.7 39.1 92 104 A W H > S+ 0 0 29 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.882 108.3 58.4 -59.2 -43.4 40.2 22.4 39.9 93 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.852 101.1 55.9 -56.2 -37.5 39.2 21.7 43.5 94 106 A F H X S+ 0 0 8 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.910 106.6 50.6 -62.3 -41.1 36.5 19.4 42.2 95 107 A S H < S+ 0 0 44 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.795 109.6 51.0 -64.1 -33.9 39.2 17.5 40.2 96 108 A L H < S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.946 113.7 43.4 -68.9 -46.9 41.2 17.3 43.5 97 109 A Y H < S+ 0 0 2 -4,-2.6 2,-2.1 1,-0.2 9,-0.2 0.779 96.0 76.2 -69.8 -32.2 38.3 15.8 45.5 98 110 A D >< - 0 0 10 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 -0.561 67.5-180.0 -81.2 74.0 37.1 13.3 42.8 99 111 A V T 3 S+ 0 0 31 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.861 75.3 39.5 -46.6 -47.1 40.0 11.0 43.6 100 112 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.422 104.1-126.0 -88.7 1.6 39.2 8.3 41.0 101 113 A G < + 0 0 58 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.615 66.8 135.1 65.9 17.3 38.2 10.8 38.3 102 114 A N S S- 0 0 99 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.436 76.8-106.4 -77.3 -2.0 34.8 9.2 37.8 103 115 A G S S+ 0 0 37 1,-0.2 54,-0.5 -5,-0.1 2,-0.3 0.337 92.4 73.3 99.2 -11.3 33.0 12.5 37.8 104 116 A T S S- 0 0 45 52,-0.1 2,-0.5 53,-0.1 -2,-0.3 -0.980 73.2-127.1-135.6 149.9 31.3 12.4 41.2 105 117 A I E -B 155 0B 1 50,-2.8 50,-2.3 -2,-0.3 2,-0.2 -0.845 23.0-162.0-100.6 131.0 32.6 12.8 44.7 106 118 A S E > -B 154 0B 27 -2,-0.5 4,-1.7 -9,-0.2 3,-0.4 -0.627 34.2-105.9-102.7 166.7 31.9 10.1 47.2 107 119 A K H > S+ 0 0 32 46,-0.5 4,-1.9 44,-0.4 5,-0.1 0.884 120.0 55.7 -59.9 -38.9 32.1 10.4 51.0 108 120 A N H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 104.3 54.0 -64.6 -32.1 35.3 8.3 51.0 109 121 A E H > S+ 0 0 7 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.927 107.1 49.6 -67.9 -42.7 37.0 10.7 48.6 110 122 A V H X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.895 110.8 50.8 -61.2 -42.8 36.3 13.7 50.7 111 123 A L H X S+ 0 0 60 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.906 108.8 52.8 -61.9 -40.2 37.8 11.8 53.7 112 124 A E H X S+ 0 0 87 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.908 113.9 40.6 -60.8 -48.5 40.9 10.9 51.7 113 125 A I H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.899 114.0 52.3 -69.2 -42.1 41.6 14.5 50.7 114 126 A V H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.893 109.2 51.6 -62.3 -40.3 40.7 16.0 54.1 115 127 A T H X S+ 0 0 49 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.881 110.5 47.6 -61.8 -44.0 43.2 13.4 55.7 116 128 A A H < S+ 0 0 3 -4,-1.5 -59,-0.3 2,-0.2 4,-0.3 0.880 112.7 48.7 -64.6 -41.6 46.0 14.5 53.3 117 129 A I H >< S+ 0 0 13 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.883 107.4 55.9 -64.9 -40.7 45.3 18.2 54.0 118 130 A F H >< S+ 0 0 25 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.781 99.6 60.6 -61.1 -31.7 45.3 17.5 57.7 119 131 A K T 3< S+ 0 0 83 -4,-1.0 -66,-2.7 1,-0.2 -1,-0.3 0.577 96.9 60.9 -72.1 -13.2 48.8 15.9 57.4 120 132 A M T < S+ 0 0 7 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.561 90.0 86.5 -87.2 -16.9 50.0 19.3 56.1 121 133 A I S < S- 0 0 13 -3,-1.0 -68,-0.1 -4,-0.3 58,-0.0 -0.698 85.7-115.5 -88.2 141.2 49.1 21.0 59.4 122 134 A S > - 0 0 15 -2,-0.3 4,-1.6 1,-0.1 -70,-0.1 -0.497 20.8-122.8 -74.1 144.6 51.6 21.0 62.3 123 135 A P H > S+ 0 0 108 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.721 114.8 60.9 -59.1 -19.4 50.4 19.0 65.4 124 136 A E H >4 S+ 0 0 165 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.968 104.6 42.6 -70.6 -56.4 50.9 22.3 67.1 125 137 A D H >4 S+ 0 0 29 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.722 101.3 80.4 -61.6 -22.8 48.3 24.2 65.0 126 138 A T H >< S+ 0 0 41 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.830 84.4 52.4 -52.6 -47.4 46.1 21.2 65.4 127 139 A K T << S+ 0 0 96 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.1 0.398 96.3 71.3 -75.3 2.6 44.7 21.8 68.9 128 140 A H T < S+ 0 0 113 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.442 80.2 104.7 -92.9 -4.6 43.7 25.3 67.7 129 141 A L S < S- 0 0 14 -3,-1.6 5,-0.1 1,-0.1 56,-0.0 -0.538 83.1-101.5 -79.4 143.1 41.0 23.5 65.7 130 142 A P > - 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.213 34.0-112.5 -60.0 152.0 37.3 23.6 66.8 131 143 A E G > S+ 0 0 128 1,-0.3 3,-0.9 2,-0.2 4,-0.1 0.874 115.8 54.5 -57.2 -38.4 36.1 20.4 68.5 132 144 A D G 3 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 10,-0.2 0.386 117.6 33.8 -79.2 4.7 33.8 19.6 65.6 133 145 A E G < S+ 0 0 3 -3,-1.9 -1,-0.2 8,-0.1 -2,-0.2 0.141 83.1 108.4-142.4 18.0 36.6 19.8 62.9 134 146 A N S < S+ 0 0 49 -3,-0.9 -2,-0.1 -4,-0.3 -5,-0.1 0.389 75.9 44.7 -84.5 5.3 39.6 18.5 64.8 135 147 A T S > S- 0 0 44 1,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.961 87.2-111.6-140.7 154.5 40.0 15.1 63.1 136 148 A P H > S+ 0 0 22 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.935 118.2 49.4 -52.0 -46.8 39.8 14.1 59.4 137 149 A E H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.855 111.8 47.1 -64.2 -36.9 36.6 12.2 60.0 138 150 A K H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 114.3 46.6 -68.9 -47.1 34.9 15.0 61.8 139 151 A R H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.929 114.8 47.8 -60.0 -45.7 35.9 17.6 59.2 140 152 A A H X S+ 0 0 3 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.891 111.6 49.8 -63.6 -41.0 34.8 15.2 56.3 141 153 A E H X S+ 0 0 91 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.907 108.8 51.8 -64.7 -43.9 31.4 14.5 58.0 142 154 A K H X S+ 0 0 41 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.953 111.1 48.4 -58.1 -47.9 30.7 18.2 58.6 143 155 A I H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.947 112.9 46.6 -57.0 -52.3 31.4 18.8 54.9 144 156 A W H <>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 -1,-0.2 0.891 111.8 53.6 -58.6 -38.4 29.1 15.9 53.8 145 157 A G H ><5S+ 0 0 50 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.864 104.1 52.6 -64.9 -41.3 26.5 17.2 56.2 146 158 A F H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.868 107.7 53.0 -63.8 -36.1 26.5 20.7 54.8 147 159 A F T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.510 115.2-121.1 -75.6 -2.5 25.9 19.2 51.3 148 160 A G T < 5 + 0 0 58 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.900 57.0 160.2 64.8 42.3 23.0 17.3 52.8 149 161 A K < - 0 0 39 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.766 38.2-142.8-107.0 145.6 24.4 14.0 51.9 150 162 A K > - 0 0 111 -2,-0.3 3,-1.6 4,-0.1 -43,-0.1 -0.653 38.9-104.8 -91.5 154.3 23.8 10.5 53.1 151 163 A D T 3 S+ 0 0 106 1,-0.3 -44,-0.4 -2,-0.3 -43,-0.2 0.789 122.6 51.5 -51.3 -30.9 26.8 8.1 53.4 152 164 A D T 3 S+ 0 0 126 -46,-0.1 -1,-0.3 -45,-0.1 -3,-0.0 0.719 94.3 103.2 -79.7 -23.2 25.6 6.3 50.3 153 165 A D < - 0 0 44 -3,-1.6 -46,-0.5 1,-0.1 2,-0.3 0.081 59.2-136.7 -67.2 167.4 25.2 9.5 48.2 154 166 A K E -B 106 0B 46 -48,-0.1 2,-0.5 -47,-0.1 -48,-0.2 -0.909 9.1-140.8-123.0 149.9 27.3 11.1 45.4 155 167 A L E -B 105 0B 3 -50,-2.3 -50,-2.8 -2,-0.3 2,-0.2 -0.957 16.8-151.6-114.2 125.2 28.2 14.8 44.9 156 168 A T > - 0 0 56 -2,-0.5 4,-2.2 -52,-0.2 5,-0.1 -0.524 28.4-110.2 -91.3 165.5 28.1 16.2 41.4 157 169 A E H > S+ 0 0 76 -54,-0.5 4,-2.4 2,-0.2 5,-0.2 0.859 116.7 58.2 -61.6 -36.6 30.2 19.1 40.1 158 170 A K H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.968 110.9 40.1 -58.1 -53.3 27.1 21.3 39.8 159 171 A E H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 112.5 56.9 -64.5 -39.9 26.3 20.9 43.5 160 172 A F H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.935 111.1 41.7 -58.0 -47.9 29.9 21.2 44.5 161 173 A I H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 5,-0.4 0.924 114.4 52.0 -68.2 -41.5 30.4 24.6 42.9 162 174 A E H X S+ 0 0 97 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.919 114.6 42.1 -58.5 -48.1 27.0 25.9 44.1 163 175 A G H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 8,-0.3 0.920 115.8 46.3 -68.0 -45.6 27.7 25.0 47.7 164 176 A T H < S+ 0 0 0 -4,-2.4 7,-0.3 -5,-0.2 -1,-0.2 0.827 120.7 39.4 -67.9 -32.4 31.3 26.1 47.8 165 177 A L H < S+ 0 0 95 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.955 120.6 43.6 -79.4 -52.6 30.5 29.4 46.1 166 178 A A H < S+ 0 0 88 -4,-2.6 2,-0.7 -5,-0.4 -3,-0.2 0.911 117.3 42.3 -57.4 -55.0 27.1 30.1 47.9 167 179 A N >X - 0 0 59 -4,-2.4 4,-1.6 -5,-0.3 3,-1.3 -0.844 61.2-166.0-106.0 104.6 28.1 29.1 51.4 168 180 A K H 3> S+ 0 0 98 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.739 89.2 66.9 -58.5 -24.2 31.6 30.4 52.7 169 181 A E H 3> S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.938 103.6 45.5 -62.1 -41.6 31.3 28.0 55.6 170 182 A I H <> S+ 0 0 8 -3,-1.3 4,-1.8 -7,-0.3 3,-0.4 0.925 109.8 54.4 -65.7 -44.3 31.6 25.1 53.0 171 183 A L H X S+ 0 0 15 -4,-1.6 4,-1.2 -7,-0.3 -1,-0.2 0.891 106.9 51.7 -55.6 -44.6 34.5 26.9 51.2 172 184 A R H < S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 109.0 50.6 -63.0 -34.6 36.4 27.1 54.5 173 185 A L H < S+ 0 0 3 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.825 114.5 41.2 -73.7 -35.7 35.9 23.3 55.2 174 186 A I H < S+ 0 0 2 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.574 83.4 134.1 -87.6 -11.8 37.1 22.1 51.7 175 187 A Q < + 0 0 20 -4,-1.2 -3,-0.1 -5,-0.2 -4,-0.0 -0.103 29.5 179.3 -43.0 128.4 40.0 24.7 51.7 176 188 A F + 0 0 1 -96,-0.1 -1,-0.1 5,-0.0 -4,-0.0 0.545 41.7 107.8-115.1 -14.3 43.2 22.9 50.6 177 189 A E > - 0 0 3 1,-0.1 4,-2.0 -97,-0.1 3,-0.4 -0.582 65.2-140.5 -70.7 119.4 45.9 25.6 50.5 178 190 A P H > S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.850 97.3 50.9 -47.6 -46.0 48.2 24.8 53.5 179 191 A Q H > S+ 0 0 117 -98,-0.3 4,-3.2 1,-0.2 5,-0.1 0.912 110.1 47.9 -61.3 -46.1 48.7 28.4 54.4 180 192 A K H 4 S+ 0 0 29 -3,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.837 106.9 56.2 -65.1 -36.5 45.1 29.4 54.5 181 193 A V H >< S+ 0 0 12 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.911 114.7 41.6 -60.8 -40.2 44.2 26.3 56.5 182 194 A K H >X S+ 0 0 79 -4,-1.7 3,-1.7 -5,-0.2 4,-1.0 0.954 110.5 53.7 -69.4 -55.6 46.7 27.7 59.1 183 195 A E T 3< S+ 0 0 94 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.298 94.2 72.7 -66.7 7.8 45.9 31.4 58.9 184 196 A K T <4 S+ 0 0 101 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.395 102.9 39.7-100.0 1.0 42.2 30.7 59.7 185 197 A L T <4 0 0 37 -3,-1.7 -2,-0.2 -56,-0.0 -3,-0.1 0.742 360.0 360.0-111.6 -49.9 42.9 29.8 63.3 186 198 A K < 0 0 121 -4,-1.0 -61,-0.0 0, 0.0 0, 0.0 -0.025 360.0 360.0 -69.9 360.0 45.5 32.4 64.5