==== 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 METAL BINDING PROTEIN 18-NOV-06 2NXQ . COMPND 2 MOLECULE: CALCIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR S.KUMAR,N.PADHAN,N.ALAM,S.GOURINATH . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 66.9 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 . 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 . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 53.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 4 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 0 106 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 121.2 28.4 -47.4 10.7 2 3 A E H > + 0 0 152 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.963 360.0 31.7 -87.3 -61.4 26.4 -47.8 7.5 3 4 A A H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.834 120.4 59.7 -68.8 -25.0 26.0 -44.7 5.3 4 5 A L H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 104.6 44.9 -65.7 -44.8 29.3 -43.8 6.7 5 6 A F H X S+ 0 0 81 -4,-0.8 4,-3.1 1,-0.2 -2,-0.2 0.921 116.1 48.3 -66.4 -37.7 31.0 -46.9 5.3 6 7 A K H < S+ 0 0 153 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.842 109.0 53.6 -68.6 -35.4 29.2 -46.3 2.0 7 8 A E H < S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.1 39.3 -66.7 -41.6 30.2 -42.7 2.0 8 9 A I H < S+ 0 0 28 -4,-2.2 2,-2.3 1,-0.2 -2,-0.2 0.915 102.2 74.8 -73.8 -41.9 33.9 -43.6 2.4 9 10 A D >< + 0 0 14 -4,-3.1 3,-0.9 -5,-0.2 -1,-0.2 -0.472 65.9 171.1 -72.8 79.3 33.5 -46.6 -0.0 10 11 A V T 3 + 0 0 119 -2,-2.3 -1,-0.2 1,-0.2 6,-0.1 0.768 69.6 44.7 -66.9 -34.3 33.4 -44.4 -3.1 11 12 A N T 3 S- 0 0 105 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.336 106.4-127.0 -93.2 9.5 33.6 -46.9 -6.0 12 13 A G < + 0 0 57 -3,-0.9 -2,-0.1 -6,-0.2 4,-0.1 0.683 66.5 131.4 58.3 29.1 31.1 -49.0 -4.1 13 14 A D S S- 0 0 99 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.305 76.8-107.5 -96.4 13.9 32.9 -52.4 -4.0 14 15 A G S S+ 0 0 52 1,-0.2 2,-0.4 -5,-0.1 -5,-0.0 0.271 91.3 94.0 84.9 -11.6 32.5 -53.2 -0.4 15 16 A A - 0 0 58 -6,-0.0 2,-0.7 -10,-0.0 -2,-0.3 -0.942 66.7-141.6-118.2 134.7 36.1 -52.5 0.6 16 17 A V - 0 0 50 -2,-0.4 -7,-0.1 -7,-0.1 2,-0.1 -0.848 28.1-159.4 -93.5 114.3 37.5 -49.2 2.0 17 18 A S > - 0 0 57 -2,-0.7 4,-1.8 -9,-0.1 5,-0.2 -0.290 30.2-105.0 -85.8 175.4 40.9 -48.8 0.4 18 19 A Y H > S+ 0 0 169 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 121.1 53.3 -67.1 -44.7 43.8 -46.6 1.5 19 20 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 109.9 48.9 -53.7 -46.0 43.2 -44.1 -1.2 20 21 A E H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 109.7 49.3 -66.6 -35.9 39.6 -43.8 -0.1 21 22 A V H X S+ 0 0 64 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.934 114.9 47.5 -67.7 -41.3 40.4 -43.3 3.6 22 23 A K H X S+ 0 0 121 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.852 112.0 47.2 -66.5 -38.2 42.9 -40.7 2.5 23 24 A A H X S+ 0 0 63 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.856 115.0 49.5 -71.7 -32.8 40.4 -38.9 0.2 24 25 A F H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 109.8 46.2 -71.2 -49.9 37.8 -39.0 3.0 25 26 A V H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.903 114.1 54.2 -60.0 -39.2 40.0 -37.7 5.8 26 27 A S H X S+ 0 0 76 -4,-1.5 4,-1.8 -5,-0.3 -2,-0.2 0.935 112.3 38.8 -62.0 -49.8 41.0 -35.0 3.3 27 28 A K H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.785 111.4 59.6 -74.5 -24.8 37.5 -33.8 2.3 28 29 A K H X S+ 0 0 122 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.937 108.2 45.7 -65.8 -43.8 36.3 -34.1 5.9 29 30 A R H X S+ 0 0 161 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.909 111.4 51.7 -63.7 -44.7 39.0 -31.6 6.9 30 31 A A H X S+ 0 0 54 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.903 110.9 48.7 -60.4 -41.8 38.1 -29.3 4.0 31 32 A I H X S+ 0 0 75 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 109.3 51.7 -65.6 -41.9 34.4 -29.4 5.0 32 33 A K H X S+ 0 0 114 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.841 109.5 50.6 -64.3 -35.2 35.2 -28.6 8.6 33 34 A N H X S+ 0 0 103 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.924 110.4 49.2 -69.1 -44.0 37.3 -25.6 7.6 34 35 A E H X S+ 0 0 114 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.941 109.3 52.0 -58.9 -51.0 34.5 -24.2 5.4 35 36 A Q H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.860 110.9 47.0 -57.5 -38.9 31.9 -24.6 8.1 36 37 A L H X S+ 0 0 100 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.936 114.2 47.0 -69.7 -44.2 33.9 -22.7 10.6 37 38 A L H X S+ 0 0 115 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.930 113.4 48.5 -61.7 -48.1 34.8 -19.9 8.2 38 39 A Q H X S+ 0 0 99 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.892 110.4 51.0 -59.3 -42.0 31.2 -19.6 7.1 39 40 A L H X S+ 0 0 111 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.895 111.8 47.6 -64.3 -37.8 30.0 -19.5 10.6 40 41 A I H X S+ 0 0 67 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.898 114.1 47.6 -68.9 -39.2 32.5 -16.8 11.4 41 42 A F H >X S+ 0 0 87 -4,-2.7 4,-2.7 1,-0.2 3,-1.7 0.988 110.0 51.2 -62.4 -60.1 31.4 -14.9 8.2 42 43 A K H 3< S+ 0 0 142 -4,-3.3 6,-0.2 1,-0.3 -1,-0.2 0.785 108.5 53.9 -46.9 -34.6 27.7 -15.2 9.0 43 44 A S H 3< S+ 0 0 82 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.762 111.3 43.1 -75.8 -26.4 28.4 -13.9 12.5 44 45 A I H << S+ 0 0 22 -3,-1.7 2,-2.7 -4,-1.1 -2,-0.2 0.849 98.7 75.7 -84.0 -37.8 30.1 -10.7 11.2 45 46 A D >< + 0 0 9 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 -0.438 67.4 178.7 -73.3 70.6 27.5 -10.2 8.5 46 47 A A T 3 S+ 0 0 81 -2,-2.7 -1,-0.2 1,-0.3 6,-0.1 0.694 74.3 42.3 -51.6 -27.0 25.0 -8.9 11.1 47 48 A D T 3 S- 0 0 95 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.395 101.1-129.5-104.4 5.1 22.2 -8.2 8.5 48 49 A G < + 0 0 59 -3,-2.1 -2,-0.1 -6,-0.2 4,-0.1 0.666 66.0 131.2 60.6 21.0 22.6 -11.4 6.5 49 50 A N S S- 0 0 86 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.540 79.9-108.3 -80.5 -4.6 22.8 -9.7 3.1 50 51 A G S S+ 0 0 50 1,-0.2 2,-0.3 -5,-0.2 -8,-0.1 0.701 89.1 76.3 90.6 21.5 25.9 -11.8 2.3 51 52 A E S S- 0 0 111 -10,-0.1 2,-0.6 -9,-0.1 -2,-0.3 -0.977 73.6-123.4-156.2 151.7 28.6 -9.2 2.5 52 53 A I - 0 0 54 -2,-0.3 2,-0.1 -3,-0.1 -7,-0.1 -0.907 25.2-160.6-106.7 118.8 30.4 -7.4 5.3 53 54 A D > - 0 0 59 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.467 38.9 -95.5 -88.5 169.1 30.2 -3.6 5.1 54 55 A Q H > S+ 0 0 174 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.710 123.6 54.3 -57.9 -21.6 32.7 -1.4 7.0 55 56 A N H > S+ 0 0 105 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.949 108.8 43.9 -79.4 -50.3 30.3 -1.1 9.8 56 57 A E H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.913 116.8 50.5 -57.5 -39.6 29.7 -4.7 10.5 57 58 A F H X S+ 0 0 107 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.841 107.5 54.0 -65.0 -37.1 33.5 -5.0 10.1 58 59 A A H < S+ 0 0 54 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.901 106.0 49.5 -66.7 -45.3 34.0 -2.2 12.6 59 60 A K H < S+ 0 0 133 -4,-2.3 6,-0.5 1,-0.2 -2,-0.2 0.976 107.0 56.5 -57.7 -55.0 32.0 -3.7 15.4 60 61 A F H <>S+ 0 0 44 -4,-1.7 5,-0.7 -5,-0.2 -1,-0.2 0.839 105.4 62.0 -44.0 -44.9 33.7 -7.0 15.1 61 62 A Y T <5 + 0 0 120 -4,-1.4 4,-0.1 3,-0.2 0, 0.0 -0.340 47.4 112.7 -84.4 170.1 37.1 -5.4 15.6 62 63 A G T 5S- 0 0 48 2,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.518 122.2 -38.2 131.1 55.6 38.3 -3.5 18.6 63 64 A S T 5S- 0 0 123 1,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.953 121.2 -68.7 56.1 45.2 41.1 -5.7 20.0 64 65 A I T 5S+ 0 0 100 1,-0.1 2,-0.3 2,-0.0 -3,-0.2 0.870 94.4 135.5 23.6 101.0 38.2 -7.8 18.7 65 66 A Q < 0 0 71 -5,-0.7 -1,-0.1 -6,-0.5 0, 0.0 -0.814 360.0 360.0-159.4 114.2 35.1 -7.6 20.8 66 67 A G 0 0 83 -2,-0.3 -1,-0.0 0, 0.0 -2,-0.0 -0.037 360.0 360.0 165.5 360.0 32.0 -7.2 18.8 67 !* 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 68 2 B A > 0 0 115 0, 0.0 4,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 20.1 -33.6 18.6 69 3 B E H > + 0 0 171 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.906 360.0 24.3 -52.0 -75.4 18.9 -35.7 21.7 70 4 B A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 119.5 59.3 -70.8 -32.5 21.6 -37.5 23.7 71 5 B L H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 103.3 51.1 -61.9 -41.8 24.3 -35.2 22.6 72 6 B F H X S+ 0 0 88 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.892 110.7 49.3 -64.2 -36.7 22.5 -32.2 24.1 73 7 B K H < S+ 0 0 159 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.3 54.5 -69.3 -35.2 22.1 -34.1 27.4 74 8 B E H < S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.6 38.4 -66.8 -39.4 25.8 -34.9 27.4 75 9 B I H < S+ 0 0 28 -4,-2.0 2,-2.8 1,-0.2 -2,-0.2 0.915 102.4 74.5 -76.5 -42.6 26.8 -31.3 27.0 76 10 B D >< + 0 0 13 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 -0.394 66.5 171.3 -70.5 72.7 24.1 -30.1 29.4 77 11 B V T 3 + 0 0 120 -2,-2.8 -1,-0.2 1,-0.3 6,-0.1 0.749 69.6 44.1 -59.2 -33.9 26.0 -31.4 32.4 78 12 B N T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.386 104.9-128.8 -94.9 4.8 23.9 -29.9 35.3 79 13 B G < + 0 0 54 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.618 65.1 131.7 62.5 23.3 20.7 -30.9 33.5 80 14 B D S S- 0 0 101 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.310 78.5-106.6 -88.4 10.5 18.7 -27.7 33.5 81 15 B G S S+ 0 0 52 1,-0.2 2,-0.4 -5,-0.2 -1,-0.1 0.335 91.6 94.6 85.9 -8.0 17.8 -27.8 29.8 82 16 B A - 0 0 53 -6,-0.0 2,-0.7 -10,-0.0 -2,-0.3 -0.951 67.4-139.5-120.3 137.4 20.2 -25.0 28.8 83 17 B V - 0 0 52 -2,-0.4 2,-0.1 -7,-0.1 -7,-0.1 -0.854 29.1-156.0 -93.8 115.2 23.7 -25.4 27.4 84 18 B S > - 0 0 41 -2,-0.7 4,-1.8 -9,-0.2 3,-0.2 -0.382 26.3-108.7 -86.4 169.9 25.8 -22.7 29.1 85 19 B Y H > S+ 0 0 172 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.945 120.5 50.3 -62.0 -49.0 29.1 -21.2 27.8 86 20 B E H > S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.748 110.3 52.6 -62.2 -21.9 31.2 -22.8 30.5 87 21 B E H > S+ 0 0 22 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.829 107.5 48.9 -82.4 -33.4 29.5 -26.1 29.5 88 22 B V H X S+ 0 0 65 -4,-1.8 4,-2.7 -3,-0.3 5,-0.3 0.918 112.8 51.2 -68.2 -41.4 30.3 -25.8 25.8 89 23 B K H X S+ 0 0 134 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.894 110.2 46.4 -62.3 -43.8 33.9 -25.0 27.0 90 24 B A H X S+ 0 0 61 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.857 114.2 50.5 -68.3 -33.1 34.2 -28.1 29.2 91 25 B F H X S+ 0 0 37 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.925 110.1 45.9 -70.7 -48.1 32.7 -30.2 26.4 92 26 B V H X S+ 0 0 68 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.925 116.4 48.3 -60.9 -43.3 35.0 -29.0 23.6 93 27 B S H X S+ 0 0 66 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.947 113.3 45.9 -60.8 -50.4 37.9 -29.5 26.0 94 28 B K H X S+ 0 0 87 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.863 111.1 53.5 -60.7 -40.0 36.8 -33.0 27.1 95 29 B K H X S+ 0 0 111 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.896 107.8 50.9 -63.8 -40.8 36.2 -34.0 23.5 96 30 B R H X S+ 0 0 149 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.939 109.3 50.0 -61.1 -51.6 39.8 -32.9 22.6 97 31 B A H X S+ 0 0 57 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.909 111.0 49.5 -54.7 -47.6 41.3 -34.9 25.4 98 32 B I H X S+ 0 0 75 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.908 110.0 50.0 -60.4 -44.6 39.4 -38.0 24.5 99 33 B K H X S+ 0 0 125 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.835 111.1 49.7 -64.5 -35.1 40.4 -37.8 20.8 100 34 B N H X S+ 0 0 101 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 111.2 49.1 -70.1 -42.6 44.0 -37.4 21.8 101 35 B E H X S+ 0 0 110 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.965 109.5 51.6 -58.7 -54.8 43.9 -40.4 24.1 102 36 B Q H X S+ 0 0 104 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.829 110.8 48.0 -54.4 -36.6 42.3 -42.6 21.4 103 37 B L H X S+ 0 0 101 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.943 113.1 47.1 -71.6 -45.5 44.9 -41.7 18.9 104 38 B L H X S+ 0 0 114 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.932 113.7 48.9 -59.6 -47.4 47.8 -42.4 21.3 105 39 B Q H X S+ 0 0 95 -4,-3.3 4,-3.3 2,-0.2 5,-0.2 0.909 110.2 50.3 -59.0 -44.7 46.2 -45.7 22.4 106 40 B L H X S+ 0 0 112 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.928 112.2 47.6 -60.9 -44.3 45.7 -46.8 18.8 107 41 B I H X S+ 0 0 69 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.903 113.8 49.0 -62.3 -41.2 49.4 -45.9 18.0 108 42 B F H >X S+ 0 0 87 -4,-2.7 4,-2.6 1,-0.2 3,-0.8 0.971 109.0 50.4 -62.0 -56.8 50.4 -47.8 21.1 109 43 B K H 3< S+ 0 0 143 -4,-3.3 6,-0.2 1,-0.3 -1,-0.2 0.779 108.5 54.4 -54.1 -28.8 48.4 -50.9 20.4 110 44 B S H 3< S+ 0 0 81 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.830 110.5 43.6 -78.8 -29.7 49.8 -51.1 16.9 111 45 B I H << S+ 0 0 30 -4,-1.3 2,-2.5 -3,-0.8 -2,-0.2 0.891 101.0 74.6 -77.0 -38.6 53.4 -51.0 18.1 112 46 B D >< + 0 0 8 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 -0.394 64.8 172.4 -73.1 65.0 52.5 -53.6 20.8 113 47 B A T 3 S+ 0 0 80 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.837 72.9 48.3 -46.3 -48.0 52.3 -56.5 18.4 114 48 B D T 3 S- 0 0 90 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.431 101.6-134.9 -79.4 6.0 51.9 -59.3 21.0 115 49 B G < + 0 0 59 -3,-2.4 -2,-0.1 -6,-0.2 -1,-0.1 0.721 62.9 131.8 49.9 32.2 49.2 -57.2 22.7 116 50 B N S S- 0 0 83 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.412 78.5-105.5 -93.0 3.2 50.5 -57.8 26.2 117 51 B G S S+ 0 0 53 1,-0.2 2,-0.3 -5,-0.2 -8,-0.0 0.475 94.0 75.3 92.1 2.7 50.3 -54.1 27.2 118 52 B E S S- 0 0 113 -10,-0.0 2,-0.6 -6,-0.0 -2,-0.3 -0.967 73.0-131.8-140.0 150.6 54.0 -53.2 27.1 119 53 B I - 0 0 47 -2,-0.3 2,-0.1 -3,-0.1 -7,-0.1 -0.941 24.1-155.1-111.5 122.2 56.2 -52.6 24.1 120 54 B D > - 0 0 53 -2,-0.6 4,-2.8 1,-0.1 5,-0.2 -0.411 36.1 -95.0 -86.6 167.9 59.5 -54.5 24.3 121 55 B Q H > S+ 0 0 177 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.745 125.6 54.7 -54.5 -25.8 62.7 -53.5 22.5 122 56 B N H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 109.0 43.3 -74.3 -52.1 61.8 -55.9 19.7 123 57 B E H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.912 116.9 51.0 -57.1 -40.4 58.3 -54.4 19.0 124 58 B F H X S+ 0 0 104 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.856 107.7 51.5 -64.6 -40.0 60.0 -51.0 19.3 125 59 B A H < S+ 0 0 59 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.895 106.5 52.1 -67.3 -43.3 62.7 -51.9 16.8 126 60 B K H < S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.980 108.1 54.6 -55.1 -55.1 60.4 -53.1 14.1 127 61 B F H < S+ 0 0 68 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 100.7 67.9 -45.0 -54.5 58.4 -49.8 14.4 128 62 B Y < + 0 0 123 -4,-1.8 2,-0.3 3,-0.1 3,-0.1 -0.202 57.7 92.1 -73.1 163.7 61.4 -47.6 13.9 129 63 B G S S- 0 0 62 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.937 119.7 -31.2 153.8-131.8 63.4 -47.1 10.7 130 64 B S 0 0 134 1,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.727 360.0 360.0 -74.8 -21.0 62.4 -44.4 8.2 131 65 B I 0 0 125 -5,-0.2 -1,-0.5 -3,-0.1 -3,-0.1 -0.775 360.0 360.0 101.3 360.0 59.4 -45.8 10.1