==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-JAN-11 3QJK . COMPND 2 MOLECULE: CALCIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR S.KUMAR,S.GOURINATH . 127 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 67.7 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 . 0 0.0 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 . 9 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 55.1 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 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 2 A A 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 12.4 56.6 4.0 -5.2 2 3 A E >> - 0 0 135 1,-0.1 4,-1.4 0, 0.0 3,-0.6 -0.785 360.0-128.4 -95.0 144.4 54.1 1.5 -6.6 3 4 A A H 3> S+ 0 0 79 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.735 104.9 65.7 -63.2 -24.6 51.5 -0.1 -4.3 4 5 A L H 3> S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 99.6 46.6 -65.9 -44.2 52.6 -3.5 -5.5 5 6 A F H <> S+ 0 0 86 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.900 116.0 47.5 -65.5 -37.7 56.2 -3.4 -4.2 6 7 A K H < S+ 0 0 156 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.802 108.9 54.5 -68.7 -35.3 54.7 -2.2 -0.9 7 8 A E H < S+ 0 0 90 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.874 115.0 39.0 -67.4 -41.4 52.1 -4.9 -0.9 8 9 A I H < S+ 0 0 29 -4,-2.3 2,-2.1 1,-0.2 -2,-0.2 0.919 103.1 74.0 -73.9 -42.0 54.7 -7.6 -1.3 9 10 A D >< + 0 0 14 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 -0.486 64.8 171.5 -72.8 79.6 57.1 -5.8 1.1 10 11 A V T 3 S+ 0 0 121 -2,-2.1 -1,-0.2 1,-0.2 6,-0.1 0.837 71.5 44.7 -67.2 -34.4 55.1 -6.8 4.2 11 12 A N T 3 S- 0 0 105 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.418 105.2-130.1 -93.0 8.7 57.5 -5.7 6.9 12 13 A G < + 0 0 55 -3,-0.8 -2,-0.1 -6,-0.2 4,-0.1 0.658 63.7 133.0 58.0 29.5 58.1 -2.5 5.1 13 14 A D S S- 0 0 100 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.337 78.2-106.0 -95.5 14.5 61.9 -2.3 5.0 14 15 A G S S+ 0 0 52 1,-0.2 2,-0.4 -5,-0.1 -1,-0.1 0.362 93.3 95.5 85.5 -10.3 62.3 -1.5 1.3 15 16 A A - 0 0 53 -10,-0.0 2,-0.8 -6,-0.0 -2,-0.4 -0.963 67.8-141.1-117.8 135.5 63.5 -5.0 0.5 16 17 A V - 0 0 46 -2,-0.4 2,-0.1 -7,-0.1 -7,-0.1 -0.845 26.9-158.5 -92.8 112.9 61.3 -7.9 -0.8 17 18 A S > - 0 0 54 -2,-0.8 4,-1.7 -9,-0.1 3,-0.2 -0.447 28.1-107.2 -86.2 174.1 62.7 -11.0 1.0 18 19 A Y H > S+ 0 0 161 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.898 120.1 54.3 -66.5 -44.9 62.2 -14.5 -0.4 19 20 A E H > S+ 0 0 131 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.843 108.6 52.6 -53.8 -43.6 59.7 -15.4 2.3 20 21 A E H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 108.4 47.0 -66.2 -36.5 57.7 -12.3 1.2 21 22 A V H X S+ 0 0 63 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.957 115.3 49.1 -67.4 -40.3 57.7 -13.2 -2.5 22 23 A K H X S+ 0 0 123 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.888 110.7 47.3 -65.2 -38.7 56.6 -16.7 -1.4 23 24 A A H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.872 113.6 51.7 -71.0 -33.0 53.9 -15.5 0.9 24 25 A F H X S+ 0 0 36 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.908 107.8 47.8 -70.4 -48.9 52.7 -13.3 -1.9 25 26 A V H X S+ 0 0 64 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 112.8 52.9 -60.0 -39.4 52.6 -15.9 -4.6 26 27 A S H X S+ 0 0 56 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.962 113.3 40.1 -62.1 -49.0 50.7 -18.1 -2.1 27 28 A K H X S+ 0 0 100 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.851 111.4 56.3 -73.6 -25.6 48.1 -15.5 -1.3 28 29 A K H X S+ 0 0 116 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.955 110.9 46.5 -67.1 -43.2 47.7 -14.3 -4.9 29 30 A R H X S+ 0 0 147 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 110.4 52.5 -63.1 -44.5 46.9 -17.9 -5.8 30 31 A A H X S+ 0 0 53 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.937 109.6 49.5 -60.3 -43.1 44.5 -18.3 -3.0 31 32 A I H X S+ 0 0 63 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.904 107.6 51.5 -65.9 -42.5 42.7 -15.2 -4.1 32 33 A K H X S+ 0 0 105 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.893 111.3 50.4 -63.9 -34.7 42.3 -16.2 -7.7 33 34 A N H X S+ 0 0 107 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 110.5 48.2 -68.1 -44.2 40.9 -19.5 -6.6 34 35 A E H X S+ 0 0 112 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.962 111.8 50.9 -58.7 -51.4 38.4 -17.8 -4.3 35 36 A Q H X S+ 0 0 85 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.890 110.7 46.6 -57.8 -39.1 37.3 -15.4 -7.0 36 37 A L H X S+ 0 0 63 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.940 114.6 47.9 -68.9 -43.3 36.7 -18.1 -9.6 37 38 A L H X S+ 0 0 111 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.955 113.1 47.1 -61.7 -48.6 34.8 -20.2 -7.1 38 39 A Q H X S+ 0 0 121 -4,-3.2 4,-2.9 1,-0.3 5,-0.4 0.926 111.0 52.1 -59.3 -42.4 32.6 -17.3 -5.9 39 40 A L H X S+ 0 0 32 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.3 0.877 109.7 49.4 -63.5 -36.9 31.9 -16.3 -9.5 40 41 A I H X S+ 0 0 40 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.925 113.8 46.2 -68.4 -39.5 30.9 -19.8 -10.3 41 42 A F H >X S+ 0 0 86 -4,-2.5 4,-3.2 2,-0.2 3,-1.6 0.976 111.7 48.6 -62.5 -60.9 28.6 -19.9 -7.2 42 43 A K H 3< S+ 0 0 105 -4,-2.9 6,-0.2 1,-0.3 -1,-0.2 0.852 110.0 56.3 -48.6 -33.3 27.0 -16.5 -7.9 43 44 A S H 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.827 111.9 39.7 -74.3 -27.1 26.6 -17.8 -11.4 44 45 A I H << S+ 0 0 26 -3,-1.6 2,-2.7 -4,-1.3 -2,-0.2 0.885 99.6 75.8 -84.7 -38.3 24.6 -20.8 -10.2 45 46 A D >< + 0 0 2 -4,-3.2 3,-1.5 1,-0.2 -1,-0.2 -0.483 68.7 179.7 -72.6 71.1 22.7 -18.8 -7.5 46 47 A A T 3 S+ 0 0 77 -2,-2.7 -1,-0.2 1,-0.2 6,-0.1 0.734 74.1 39.6 -52.5 -28.6 20.5 -17.3 -10.3 47 48 A D T 3 S- 0 0 99 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.381 102.8-128.1-105.8 5.4 18.4 -15.2 -7.9 48 49 A G < + 0 0 43 -3,-1.5 -2,-0.1 -6,-0.2 4,-0.1 0.539 65.2 129.0 61.6 20.3 21.1 -14.0 -5.5 49 50 A N S S- 0 0 105 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.525 82.0-106.2 -80.2 -3.8 19.9 -14.8 -2.0 50 51 A G S S+ 0 0 41 1,-0.2 2,-0.3 -5,-0.1 -8,-0.1 0.641 89.6 77.6 90.4 21.4 23.1 -16.5 -1.3 51 52 A E S S- 0 0 147 -9,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.982 72.6-123.3-155.0 151.4 22.3 -20.2 -1.4 52 53 A I - 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 -7,-0.1 -0.899 25.0-162.2-106.7 119.0 21.6 -22.6 -4.1 53 54 A D > - 0 0 71 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.427 40.6 -93.5 -88.6 169.4 18.2 -24.4 -4.0 54 55 A Q H > S+ 0 0 178 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.703 122.5 57.4 -58.2 -20.5 17.5 -27.6 -5.9 55 56 A N H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.956 106.3 42.9 -78.4 -50.2 16.1 -25.6 -8.7 56 57 A E H > S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.923 117.0 51.9 -57.5 -39.7 19.0 -23.3 -9.5 57 58 A F H X S+ 0 0 109 -4,-2.0 4,-1.3 1,-0.2 -1,-0.3 0.795 106.5 53.8 -64.7 -36.8 21.1 -26.5 -9.1 58 59 A A H < S+ 0 0 56 -4,-1.1 3,-0.2 -5,-0.2 -1,-0.2 0.952 109.2 45.8 -67.2 -46.8 18.9 -28.4 -11.5 59 60 A K H < S+ 0 0 151 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.946 106.5 60.3 -58.3 -53.7 19.2 -25.8 -14.4 60 61 A F H < S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.839 102.8 63.3 -43.1 -44.2 22.9 -25.6 -13.9 61 62 A Y S < S+ 0 0 136 -4,-1.3 2,-0.5 -3,-0.2 -3,-0.0 -0.154 70.6 62.6 -83.7 171.4 23.3 -29.3 -14.7 62 63 A G S S- 0 0 61 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 -0.948 125.2 -6.8 131.3-120.9 22.5 -31.5 -17.8 63 64 A S 0 0 127 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 -0.149 360.0 360.0 -89.3 22.1 24.3 -30.9 -21.0 64 65 A I 0 0 102 -5,-0.1 -1,-0.3 0, 0.0 -3,-0.0 -0.059 360.0 360.0 54.3 360.0 25.3 -28.1 -18.5 65 !* 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 66 2 B A > 0 0 110 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 27.8 -46.9 -17.2 67 3 B E H > + 0 0 141 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.900 360.0 45.6 -96.2 -48.9 26.4 -48.0 -20.7 68 4 B A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.771 112.6 58.7 -67.4 -25.7 25.9 -44.9 -22.7 69 5 B L H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 104.7 46.1 -67.2 -45.0 29.3 -43.9 -21.5 70 6 B F H X S+ 0 0 74 -4,-0.7 4,-2.7 1,-0.2 -2,-0.2 0.893 114.7 48.9 -66.1 -37.6 31.0 -46.9 -22.9 71 7 B K H < S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.0 53.8 -68.9 -34.4 29.2 -46.4 -26.2 72 8 B E H < S+ 0 0 93 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.6 39.4 -67.2 -41.2 30.2 -42.7 -26.1 73 9 B I H < S+ 0 0 31 -4,-2.2 2,-2.2 1,-0.2 -2,-0.2 0.920 101.6 75.1 -73.6 -42.3 33.9 -43.6 -25.8 74 10 B D >< + 0 0 12 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 -0.469 65.3 173.3 -72.5 79.7 33.6 -46.6 -28.2 75 11 B V T 3 S+ 0 0 120 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.811 71.1 46.1 -65.7 -34.7 33.5 -44.4 -31.3 76 12 B N T 3 S- 0 0 99 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.378 104.8-128.5 -92.6 8.6 33.6 -47.0 -34.0 77 13 B G < + 0 0 56 -3,-1.0 -2,-0.1 -6,-0.2 4,-0.1 0.722 65.1 133.3 58.0 29.4 31.1 -49.1 -32.2 78 14 B D S S- 0 0 97 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.381 76.6-108.9 -95.6 13.9 32.9 -52.3 -32.2 79 15 B G S S+ 0 0 54 1,-0.2 2,-0.4 -5,-0.1 -1,-0.0 0.337 91.1 93.8 85.1 -10.8 32.3 -53.1 -28.5 80 16 B A - 0 0 53 -10,-0.0 2,-0.8 -6,-0.0 -2,-0.3 -0.963 68.1-139.5-118.2 135.0 35.9 -52.5 -27.5 81 17 B V - 0 0 51 -2,-0.4 2,-0.1 -7,-0.1 -7,-0.1 -0.829 27.8-160.2 -93.0 113.1 37.4 -49.2 -26.2 82 18 B S > - 0 0 50 -2,-0.8 4,-1.6 -9,-0.1 5,-0.1 -0.403 28.9-107.3 -86.4 174.7 40.8 -48.8 -27.8 83 19 B Y H > S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 118.9 53.6 -66.7 -45.2 43.7 -46.7 -26.6 84 20 B E H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 108.9 52.2 -53.8 -43.7 43.3 -44.0 -29.3 85 21 B E H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 106.0 51.7 -65.5 -35.1 39.7 -43.8 -28.3 86 22 B V H X S+ 0 0 61 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.931 111.6 49.4 -66.5 -40.3 40.6 -43.2 -24.6 87 23 B K H X S+ 0 0 121 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.929 111.4 47.2 -65.6 -38.7 42.9 -40.5 -25.8 88 24 B A H X S+ 0 0 60 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.889 112.8 50.8 -70.6 -33.2 40.3 -38.8 -27.9 89 25 B F H X S+ 0 0 37 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.945 109.9 46.5 -70.3 -49.8 37.9 -39.1 -25.2 90 26 B V H X S+ 0 0 54 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 113.0 52.5 -59.1 -39.4 40.1 -37.5 -22.6 91 27 B S H X S+ 0 0 64 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.955 113.4 41.6 -62.0 -48.7 41.0 -34.7 -25.0 92 28 B K H X S+ 0 0 93 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.853 110.1 57.2 -72.6 -25.9 37.4 -33.9 -25.8 93 29 B K H X S+ 0 0 129 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.949 110.4 46.5 -66.1 -43.0 36.4 -34.2 -22.1 94 30 B R H X S+ 0 0 149 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 110.8 51.3 -62.5 -45.5 39.0 -31.5 -21.4 95 31 B A H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 110.8 48.2 -60.4 -43.7 37.9 -29.3 -24.2 96 32 B I H X S+ 0 0 76 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.929 109.6 50.6 -66.6 -43.0 34.4 -29.4 -23.1 97 33 B K H X S+ 0 0 111 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.869 111.5 49.3 -64.5 -35.0 35.1 -28.6 -19.5 98 34 B N H X S+ 0 0 102 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.900 111.4 49.3 -68.5 -43.9 37.3 -25.6 -20.5 99 35 B E H X S+ 0 0 113 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.969 110.4 51.2 -58.5 -51.3 34.6 -24.3 -22.8 100 36 B Q H X S+ 0 0 43 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.881 109.7 48.6 -57.5 -38.3 32.0 -24.6 -20.1 101 37 B L H X S+ 0 0 52 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.928 113.1 48.5 -68.7 -42.8 34.0 -22.8 -17.6 102 38 B L H X S+ 0 0 109 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.929 111.7 48.6 -60.8 -48.0 34.7 -20.0 -20.1 103 39 B Q H X S+ 0 0 96 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.907 110.6 50.4 -59.5 -42.2 31.1 -19.7 -21.0 104 40 B L H X S+ 0 0 27 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.923 112.6 47.8 -64.6 -37.6 30.0 -19.6 -17.5 105 41 B I H X S+ 0 0 40 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.921 114.1 46.1 -68.2 -39.5 32.6 -16.8 -16.8 106 42 B F H >X S+ 0 0 86 -4,-2.7 4,-3.4 1,-0.2 3,-1.4 0.982 112.2 50.4 -62.3 -60.4 31.5 -14.8 -19.8 107 43 B K H 3< S+ 0 0 138 -4,-2.8 6,-0.3 1,-0.3 -1,-0.2 0.848 107.8 53.8 -47.8 -35.3 27.9 -15.2 -19.0 108 44 B S H 3< S+ 0 0 42 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.812 113.6 42.2 -75.2 -26.1 28.6 -14.0 -15.5 109 45 B I H << S+ 0 0 23 -3,-1.4 2,-2.8 -4,-1.3 -2,-0.2 0.886 98.0 75.0 -83.7 -38.6 30.3 -10.9 -16.9 110 46 B D >< - 0 0 8 -4,-3.4 3,-1.8 1,-0.2 -1,-0.2 -0.472 68.7-179.7 -72.6 72.1 27.6 -10.3 -19.6 111 47 B A T 3 S+ 0 0 86 -2,-2.8 -1,-0.2 1,-0.3 6,-0.1 0.747 75.5 42.2 -51.6 -27.5 25.2 -9.1 -16.8 112 48 B D T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.399 100.3-130.6-104.0 3.6 22.5 -8.4 -19.3 113 49 B G < + 0 0 60 -3,-1.8 -2,-0.1 -6,-0.3 4,-0.1 0.669 64.4 132.5 60.8 20.8 22.8 -11.5 -21.5 114 50 B N S S- 0 0 96 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.495 79.8-108.0 -80.1 -4.7 22.8 -9.7 -24.8 115 51 B G S S+ 0 0 44 1,-0.2 2,-0.3 -5,-0.1 -8,-0.0 0.563 90.4 74.4 90.1 20.2 25.8 -11.8 -25.8 116 52 B E S S- 0 0 145 -9,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.983 73.2-126.2-155.9 150.7 28.6 -9.2 -25.7 117 53 B I - 0 0 55 -2,-0.3 2,-0.1 -7,-0.1 -7,-0.1 -0.910 24.8-160.7-107.2 118.7 30.4 -7.4 -22.9 118 54 B D > - 0 0 67 -2,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.398 39.5 -93.7 -88.8 170.1 30.3 -3.6 -23.0 119 55 B Q H > S+ 0 0 172 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.707 122.6 56.5 -57.8 -21.3 32.7 -1.4 -21.2 120 56 B N H > S+ 0 0 104 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.949 107.0 43.7 -78.9 -49.9 30.3 -1.1 -18.3 121 57 B E H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 116.7 50.8 -57.5 -39.7 29.9 -4.7 -17.5 122 58 B F H X S+ 0 0 120 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.856 108.7 52.9 -64.7 -37.6 33.6 -5.0 -17.9 123 59 B A H < S+ 0 0 54 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.943 111.1 42.8 -67.5 -47.6 34.1 -2.2 -15.6 124 60 B K H X S+ 0 0 150 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.964 113.9 53.9 -59.5 -55.5 32.0 -3.6 -12.7 125 61 B F H < S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.867 104.1 59.1 -45.3 -45.4 33.5 -7.0 -13.2 126 62 B Y T < S+ 0 0 172 -4,-2.1 2,-1.6 1,-0.2 0, 0.0 -0.350 98.7 40.4 -83.3 168.8 37.0 -5.9 -13.0 127 63 B G T 4 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 -0.336 360.0 360.0 85.3 -58.3 38.1 -4.1 -9.8 128 64 B S < 0 0 118 -2,-1.6 -1,-0.3 -4,-0.9 -93,-0.0 -0.100 360.0 360.0 -28.2 360.0 36.0 -6.8 -8.0