==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-JUN-07 2QFK . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,Z.CHEN,M.F.DAVIS,S.FRANZEN . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 78.1 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 . 4 1.5 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 . 2 0.7 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 3 1 0 0 0 0 2 0 4 0 0 2 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 . 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 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 1 A G > 0 0 61 0, 0.0 4,-2.5 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-161.4 -16.4 -21.7 13.5 2 2 A F H > + 0 0 22 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.904 360.0 50.0 -57.5 -45.9 -15.1 -18.6 11.7 3 3 A K H > S+ 0 0 117 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 112.0 47.5 -63.1 -43.6 -18.4 -17.8 10.0 4 4 A Q H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.883 106.5 58.6 -62.3 -40.2 -20.3 -18.0 13.3 5 5 A D H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.883 102.2 53.8 -57.1 -39.5 -17.7 -15.9 15.0 6 6 A I H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.916 110.8 47.1 -59.6 -42.8 -18.4 -13.1 12.5 7 7 A A H X S+ 0 0 49 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.914 110.9 51.2 -62.9 -45.6 -22.1 -13.4 13.5 8 8 A T H X S+ 0 0 19 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.954 113.9 43.9 -55.3 -51.7 -21.2 -13.3 17.2 9 9 A I H >< S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 7,-0.3 0.943 113.8 49.9 -61.5 -49.5 -19.1 -10.2 16.8 10 10 A R H >< S+ 0 0 101 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.846 101.2 64.0 -57.7 -35.2 -21.7 -8.4 14.6 11 11 A G H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.875 124.4 15.8 -60.1 -37.5 -24.5 -9.1 17.0 12 12 A D T + 0 0 26 -3,-1.3 4,-2.8 1,-0.2 5,-0.2 0.850 68.9 49.7 -55.4 -46.1 -20.3 -5.1 17.5 14 14 A R H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 111.3 49.3 -65.9 -38.0 -19.7 -2.1 19.7 15 15 A T H > S+ 0 0 63 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.950 116.5 40.3 -66.0 -49.5 -19.0 -4.2 22.8 16 16 A Y H X S+ 0 0 33 -4,-2.1 4,-2.9 -7,-0.3 5,-0.3 0.902 114.4 53.6 -66.6 -39.3 -16.5 -6.5 21.1 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.933 113.5 41.8 -62.2 -46.3 -14.9 -3.7 19.1 18 18 A Q H X S+ 0 0 28 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.935 115.5 50.0 -66.0 -45.3 -14.2 -1.7 22.2 19 19 A D H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.921 116.0 41.9 -58.7 -47.9 -13.1 -4.7 24.3 20 20 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.900 113.0 51.7 -71.9 -39.5 -10.7 -5.9 21.6 21 21 A F H X S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.929 111.5 47.9 -64.0 -43.6 -9.3 -2.5 20.7 22 22 A L H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.906 108.9 53.7 -62.1 -41.6 -8.6 -1.8 24.4 23 23 A A H X S+ 0 0 25 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.926 109.7 50.6 -57.3 -43.3 -6.9 -5.3 24.8 24 24 A F H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.959 112.8 43.3 -55.4 -56.5 -4.7 -4.2 21.8 25 25 A L H < S+ 0 0 1 -4,-2.6 7,-0.2 1,-0.2 -2,-0.2 0.865 115.9 48.6 -63.0 -36.8 -3.7 -0.9 23.3 26 26 A N H < S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.840 113.2 46.0 -76.9 -28.9 -3.1 -2.4 26.7 27 27 A K H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 126.6 30.4 -75.8 -34.1 -1.0 -5.2 25.4 28 28 A Y >< + 0 0 54 -4,-2.3 3,-2.2 -5,-0.2 4,-0.4 -0.687 68.3 179.7-128.0 75.5 1.0 -2.9 23.2 29 29 A P G > S+ 0 0 92 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.755 77.1 66.6 -52.2 -29.5 1.2 0.6 24.8 30 30 A D G > S+ 0 0 98 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.756 89.5 65.9 -61.9 -27.3 3.3 2.0 21.9 31 31 A E G X S+ 0 0 15 -3,-2.2 3,-1.2 1,-0.2 -1,-0.3 0.673 82.0 76.8 -69.8 -18.1 0.4 1.6 19.5 32 32 A R G X S+ 0 0 35 -3,-1.4 3,-2.1 -4,-0.4 6,-0.3 0.803 77.3 76.5 -63.1 -23.8 -1.6 4.2 21.4 33 33 A R G < S+ 0 0 149 -3,-1.1 -1,-0.2 -4,-0.3 3,-0.2 0.728 84.3 61.9 -60.8 -26.5 0.6 7.0 19.8 34 34 A Y G < S+ 0 0 103 -3,-1.2 2,-0.5 1,-0.2 -1,-0.3 0.626 101.2 57.2 -73.3 -12.9 -1.3 6.6 16.4 35 35 A F X> + 0 0 44 -3,-2.1 3,-2.1 -4,-0.2 4,-0.5 -0.767 66.7 178.7-123.0 81.3 -4.5 7.7 18.3 36 36 A K G >4 S+ 0 0 140 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.785 79.2 57.9 -61.2 -29.9 -3.6 11.1 19.8 37 37 A N G 34 S+ 0 0 60 1,-0.2 -1,-0.3 3,-0.0 15,-0.1 0.633 104.1 54.2 -73.1 -13.2 -7.1 11.6 21.3 38 38 A Y G X4 S+ 0 0 4 -3,-2.1 3,-1.2 -6,-0.3 -1,-0.2 0.530 80.3 117.2 -94.5 -11.0 -6.7 8.3 23.2 39 39 A V T << S+ 0 0 69 -3,-0.8 3,-0.1 -4,-0.5 -6,-0.0 -0.366 81.9 10.0 -63.5 133.0 -3.4 9.3 24.9 40 40 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.730 99.8 125.3 71.3 27.3 -3.5 9.5 28.7 41 41 A K < - 0 0 68 -3,-1.2 -1,-0.2 4,-0.0 2,-0.1 -0.959 53.9-135.8-123.0 131.9 -7.0 7.9 29.0 42 42 A S > - 0 0 62 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.354 38.0 -99.0 -71.9 165.3 -8.2 4.9 31.0 43 43 A D H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 3,-0.1 0.920 125.3 47.2 -48.8 -51.4 -10.5 2.3 29.4 44 44 A Q H 4 S+ 0 0 139 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.841 108.4 55.5 -69.8 -27.4 -13.5 3.9 31.1 45 45 A E H >4 S+ 0 0 95 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.892 104.2 53.8 -67.7 -39.3 -12.5 7.4 30.0 46 46 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 6,-0.3 0.882 100.2 61.9 -62.9 -35.7 -12.3 6.2 26.4 47 47 A K T 3< S+ 0 0 72 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.674 97.9 58.3 -62.5 -17.2 -15.9 4.9 26.6 48 48 A S T < S+ 0 0 99 -3,-1.2 2,-0.6 -4,-0.5 -1,-0.3 0.397 87.6 92.4 -93.1 2.5 -17.1 8.5 27.3 49 49 A M X> - 0 0 41 -3,-1.8 4,-1.5 1,-0.1 3,-0.7 -0.876 66.8-150.3-104.6 120.5 -15.7 9.8 24.1 50 50 A A H 3> S+ 0 0 80 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.884 98.1 52.4 -56.1 -41.5 -18.0 9.8 21.1 51 51 A K H 3> S+ 0 0 154 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.804 102.9 59.5 -66.9 -31.6 -15.2 9.4 18.6 52 52 A F H <> S+ 0 0 0 -3,-0.7 4,-2.4 -6,-0.3 5,-0.3 0.959 111.2 38.9 -62.1 -50.0 -13.9 6.3 20.5 53 53 A G H X S+ 0 0 4 -4,-1.5 4,-1.8 -7,-0.3 -2,-0.2 0.909 119.3 48.0 -67.2 -40.1 -17.1 4.4 20.1 54 54 A D H X S+ 0 0 73 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.944 114.1 46.0 -64.8 -48.5 -17.6 5.6 16.5 55 55 A H H X S+ 0 0 56 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.935 113.7 45.9 -61.4 -51.5 -14.1 4.8 15.4 56 56 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.857 111.0 55.1 -68.1 -32.6 -13.8 1.4 16.9 57 57 A E H X S+ 0 0 72 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.939 110.5 45.2 -56.5 -50.9 -17.3 0.5 15.4 58 58 A K H X S+ 0 0 132 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.921 111.9 52.5 -65.3 -40.3 -16.1 1.5 12.0 59 59 A V H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.951 113.7 42.0 -59.3 -51.0 -12.9 -0.4 12.4 60 60 A F H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.823 109.5 58.1 -74.3 -26.5 -14.6 -3.6 13.4 61 61 A N H X S+ 0 0 70 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.964 111.1 42.9 -58.9 -52.3 -17.3 -3.3 10.8 62 62 A L H X S+ 0 0 36 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 112.1 53.8 -62.5 -41.4 -14.6 -3.2 8.1 63 63 A M H X S+ 0 0 17 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.922 109.8 47.7 -57.5 -43.7 -12.7 -6.1 9.7 64 64 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.862 110.2 52.6 -66.9 -35.7 -15.9 -8.2 9.7 65 65 A E H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 111.9 45.5 -59.4 -48.2 -16.5 -7.3 6.0 66 66 A V H X S+ 0 0 2 -4,-2.6 4,-1.0 1,-0.2 10,-0.3 0.920 113.4 50.0 -66.0 -42.1 -13.0 -8.4 5.1 67 67 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 -5,-0.2 -1,-0.2 0.926 111.1 48.9 -59.4 -44.8 -13.4 -11.6 7.2 68 68 A D H 3< S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.857 111.5 49.2 -67.2 -34.5 -16.8 -12.3 5.5 69 69 A R H 3< S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.624 92.1 105.8 -77.9 -14.1 -15.2 -11.8 2.0 70 70 A A << - 0 0 13 -4,-1.0 2,-0.5 -3,-0.6 3,-0.1 -0.221 65.5-139.0 -64.6 151.1 -12.3 -14.1 2.8 71 71 A T B > S-A 74 0A 48 3,-2.3 3,-1.9 1,-0.2 -2,-0.1 -0.986 84.9 -17.4-110.3 121.2 -12.0 -17.6 1.4 72 72 A D T 3 S- 0 0 53 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.895 130.2 -52.9 50.7 44.0 -10.7 -20.1 3.9 73 73 A C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.662 111.6 123.5 65.7 19.7 -9.5 -17.2 6.1 74 74 A V B < -A 71 0A 21 -3,-1.9 -3,-2.3 -7,-0.1 -1,-0.2 -0.952 57.6-136.5-110.4 115.8 -7.5 -15.7 3.2 75 75 A P - 0 0 7 0, 0.0 -5,-0.1 0, 0.0 -8,-0.1 -0.332 25.8 -95.1 -68.6 154.1 -8.6 -12.1 2.6 76 76 A L > - 0 0 65 -10,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.377 25.2-127.9 -60.3 143.5 -9.2 -10.7 -0.9 77 77 A A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.870 111.6 56.3 -60.1 -34.3 -6.2 -8.8 -2.4 78 78 A S H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.797 104.3 51.3 -69.2 -31.6 -8.6 -5.9 -3.0 79 79 A D H > S+ 0 0 9 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.902 108.6 50.2 -71.8 -40.7 -9.5 -5.7 0.6 80 80 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.913 109.2 54.9 -58.2 -41.5 -5.9 -5.6 1.6 81 81 A N H X S+ 0 0 75 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.914 104.1 52.1 -57.8 -45.8 -5.6 -2.8 -1.0 82 82 A T H X S+ 0 0 65 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.918 111.4 48.8 -57.1 -41.6 -8.4 -0.8 0.7 83 83 A L H < S+ 0 0 16 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.864 113.5 44.3 -67.6 -41.2 -6.5 -1.1 4.0 84 84 A V H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.939 114.1 51.1 -66.9 -45.0 -3.1 0.0 2.5 85 85 A Q H < S+ 0 0 102 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.678 80.4 111.3 -72.0 -21.4 -4.7 2.9 0.5 86 86 A M >< - 0 0 45 -4,-1.3 3,-1.7 -5,-0.2 4,-0.2 -0.310 67.9-137.6 -58.4 131.7 -6.6 4.5 3.4 87 87 A K G > S+ 0 0 172 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.885 103.1 61.7 -58.1 -38.0 -5.1 7.9 4.4 88 88 A Q G 3 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.675 107.2 45.9 -61.8 -16.9 -5.5 7.0 8.1 89 89 A H G X S+ 0 0 46 -3,-1.7 3,-2.0 1,-0.1 -1,-0.3 0.340 77.0 110.9-107.7 6.7 -3.2 4.1 7.5 90 90 A S T < S+ 0 0 101 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.755 81.6 43.9 -59.8 -29.9 -0.5 5.9 5.5 91 91 A S T 3 S+ 0 0 84 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.507 95.6 105.3 -92.0 -3.8 2.2 5.7 8.2 92 92 A L < - 0 0 30 -3,-2.0 45,-0.5 -8,-0.1 2,-0.2 -0.317 48.4-161.7 -83.7 157.9 1.5 2.1 9.3 93 93 A T >> - 0 0 61 43,-0.1 4,-0.9 -2,-0.1 3,-0.9 -0.759 40.8 -95.3-124.1 176.9 3.4 -1.1 8.6 94 94 A T H 3> S+ 0 0 26 43,-2.1 4,-2.8 -2,-0.2 5,-0.1 0.759 117.7 68.0 -69.5 -23.7 2.4 -4.8 8.8 95 95 A G H 3> S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.865 94.4 57.3 -60.3 -37.7 3.7 -5.1 12.4 96 96 A N H <> S+ 0 0 15 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.952 112.4 40.8 -56.8 -49.2 0.9 -2.8 13.6 97 97 A F H X S+ 0 0 20 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.892 111.0 57.0 -66.1 -42.6 -1.6 -5.2 12.1 98 98 A E H X S+ 0 0 103 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.917 107.9 48.0 -54.4 -46.2 0.2 -8.3 13.4 99 99 A K H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.897 107.2 56.3 -65.1 -41.6 0.1 -7.0 17.0 100 100 A L H X S+ 0 0 22 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.945 109.5 45.9 -53.9 -49.0 -3.7 -6.2 16.7 101 101 A F H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.857 108.6 54.9 -68.0 -33.5 -4.4 -9.8 15.7 102 102 A V H X S+ 0 0 59 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.946 112.8 44.2 -60.2 -46.2 -2.2 -11.3 18.5 103 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 112.8 52.0 -65.0 -39.6 -4.2 -9.2 21.0 104 104 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.951 111.8 45.0 -63.1 -47.5 -7.5 -10.2 19.3 105 105 A V H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.915 112.5 52.0 -63.9 -41.7 -6.7 -13.9 19.4 106 106 A E H X S+ 0 0 92 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.922 110.1 49.9 -60.1 -44.6 -5.5 -13.6 23.1 107 107 A Y H X S+ 0 0 42 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.946 109.9 50.1 -57.3 -49.8 -8.8 -11.9 23.9 108 108 A M H < S+ 0 0 3 -4,-2.7 3,-0.5 1,-0.2 7,-0.3 0.916 110.6 48.9 -59.5 -42.9 -10.9 -14.6 22.2 109 109 A R H < S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.9 48.2 -64.6 -35.8 -9.0 -17.4 24.1 110 110 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.679 96.2 95.3 -76.6 -19.5 -9.5 -15.5 27.4 111 111 A S S < S- 0 0 30 -4,-1.4 4,-0.1 -3,-0.5 -3,-0.0 -0.269 79.3-128.9 -74.8 157.4 -13.2 -15.0 26.8 112 112 A G S S+ 0 0 93 2,-0.1 -1,-0.1 -2,-0.0 2,-0.1 0.756 83.1 98.9 -70.0 -22.5 -16.0 -17.2 28.0 113 113 A Q S S- 0 0 84 1,-0.1 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55.7 -60.7 -38.2 2.9 -32.9 -1.5 144 6 B I H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.940 109.9 46.9 -56.5 -46.3 3.9 -30.4 -4.2 145 7 B A H X S+ 0 0 48 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.905 111.0 51.6 -61.8 -43.0 7.5 -31.6 -3.9 146 8 B T H < S+ 0 0 45 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.960 112.7 44.9 -58.5 -50.9 6.3 -35.3 -4.0 147 9 B I H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 7,-0.3 0.947 113.0 50.3 -61.4 -48.2 4.3 -34.8 -7.2 148 10 B R H >< S+ 0 0 98 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.813 101.2 65.4 -60.2 -29.5 7.1 -32.7 -8.9 149 11 B G T 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.606 124.9 11.8 -67.9 -16.4 9.6 -35.5 -8.0 150 12 B D T <> S+ 0 0 79 -3,-1.7 4,-2.2 -4,-0.5 -1,-0.3 -0.281 84.7 155.4-152.8 54.2 7.8 -37.9 -10.3 151 13 B L H <> + 0 0 16 -3,-0.9 4,-3.3 1,-0.2 5,-0.3 0.871 65.2 52.2 -67.8 -44.9 5.5 -35.6 -12.2 152 14 B R H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 113.2 46.9 -55.6 -46.1 4.9 -37.4 -15.5 153 15 B T H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 116.5 41.7 -63.7 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-63.8 -37.5 -11.3 -39.6 -17.1 164 26 B N H < S+ 0 0 83 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.844 112.7 47.5 -75.3 -32.1 -12.2 -43.1 -15.7 165 27 B K H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 126.4 30.8 -72.0 -34.0 -14.2 -41.8 -12.7 166 28 B Y >< + 0 0 54 -4,-2.2 3,-2.0 -5,-0.2 4,-0.4 -0.731 69.4 177.6-127.3 75.4 -16.0 -39.4 -15.0 167 29 B P G > S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.783 77.2 66.0 -55.2 -30.2 -16.3 -41.0 -18.5 168 30 B D G > S+ 0 0 103 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.793 90.6 64.8 -56.7 -31.8 -18.3 -38.0 -19.8 169 31 B E G X S+ 0 0 15 -3,-2.0 3,-1.7 1,-0.2 4,-0.3 0.716 83.0 75.6 -67.0 -22.1 -15.3 -35.7 -19.3 170 32 B R G X S+ 0 0 31 -3,-1.2 3,-2.1 -4,-0.4 6,-0.3 0.793 78.1 76.6 -60.7 -26.3 -13.3 -37.6 -22.0 171 33 B R G < S+ 0 0 174 -3,-1.2 3,-0.3 -4,-0.3 -1,-0.3 0.712 84.4 62.4 -57.0 -23.4 -15.5 -35.9 -24.6 172 34 B Y G < S+ 0 0 105 -3,-1.7 2,-0.5 1,-0.3 -1,-0.3 0.654 100.2 57.0 -77.2 -15.0 -13.4 -32.7 -24.1 173 35 B F S X> S- 0 0 44 -3,-2.1 3,-2.5 -4,-0.3 4,-0.6 -0.744 70.4-175.9-120.4 76.8 -10.4 -34.5 -25.4 174 36 B K G >4 S+ 0 0 185 -2,-0.5 3,-1.0 -3,-0.3 -1,-0.2 0.806 81.1 55.6 -32.9 -52.5 -11.4 -35.8 -28.8 175 37 B N G 34 S+ 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.667 101.8 58.4 -63.8 -19.4 -8.2 -37.8 -29.3 176 38 B Y G X4 S+ 0 0 4 -3,-2.5 3,-1.2 -6,-0.3 -1,-0.2 0.618 76.9 111.2 -91.9 -15.8 -8.6 -39.7 -26.0 177 39 B V T << S+ 0 0 79 -3,-1.0 3,-0.1 -4,-0.6 -6,-0.0 -0.332 82.7 15.2 -60.4 138.5 -12.0 -41.4 -26.8 178 40 B G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.669 99.2 123.2 74.0 19.1 -11.9 -45.2 -27.4 179 41 B K < - 0 0 77 -3,-1.2 -1,-0.2 4,-0.0 2,-0.1 -0.914 55.6-134.6-117.0 139.2 -8.5 -45.6 -25.9 180 42 B S > - 0 0 58 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.402 36.8-101.2 -77.5 166.6 -7.3 -47.8 -23.0 181 43 B D H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.907 123.9 49.8 -54.5 -45.4 -4.9 -46.3 -20.3 182 44 B Q H > S+ 0 0 139 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.867 108.4 51.8 -65.6 -37.0 -1.9 -48.0 -22.0 183 45 B E H >4 S+ 0 0 101 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.946 110.9 49.0 -61.9 -45.0 -2.8 -46.7 -25.4 184 46 B L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 7,-0.3 0.897 104.0 58.9 -61.0 -39.6 -3.0 -43.2 -23.9 185 47 B K H 3< S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.605 108.6 46.2 -69.5 -11.2 0.3 -43.5 -22.2 186 48 B S T << S+ 0 0 112 -3,-1.3 2,-0.6 -4,-0.6 -1,-0.3 0.126 90.2 104.4-109.6 17.3 1.9 -44.2 -25.6 187 49 B M X> - 0 0 43 -3,-2.1 4,-1.8 1,-0.2 3,-0.6 -0.898 67.1-144.4-105.3 115.1 0.1 -41.2 -27.1 188 50 B A H 3> S+ 0 0 74 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.850 96.9 43.1 -44.9 -58.6 2.4 -38.1 -27.7 189 51 B K H 3> S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.766 109.0 60.4 -65.3 -29.9 -0.1 -35.4 -26.9 190 52 B F H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.2 5,-0.3 0.966 110.6 39.6 -61.3 -51.6 -1.4 -37.3 -23.9 191 53 B G H X S+ 0 0 2 -4,-1.8 4,-2.0 -7,-0.3 -2,-0.2 0.939 120.1 43.8 -62.9 -50.5 2.0 -37.3 -22.2 192 54 B D H X S+ 0 0 85 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.931 117.4 46.6 -63.3 -45.0 3.0 -33.8 -23.2 193 55 B H H X S+ 0 0 60 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.954 112.8 46.6 -61.1 -55.4 -0.5 -32.3 -22.3 194 56 B T H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.869 111.6 53.3 -60.4 -35.1 -0.9 -34.0 -19.0 195 57 B E H X S+ 0 0 59 -4,-2.0 4,-3.1 -5,-0.3 -1,-0.2 0.936 109.6 47.8 -63.8 -45.1 2.6 -33.0 -18.0 196 58 B K H X S+ 0 0 151 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.898 109.5 53.7 -63.9 -37.7 1.8 -29.4 -18.8 197 59 B V H X S+ 0 0 42 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.947 114.9 39.9 -58.6 -49.1 -1.4 -29.5 -16.9 198 60 B F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.851 109.8 58.5 -78.1 -28.6 0.4 -30.8 -13.7 199 61 B N H X S+ 0 0 64 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.950 114.9 38.4 -56.2 -49.5 3.4 -28.5 -14.2 200 62 B L H X S+ 0 0 48 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.916 112.6 55.7 -71.1 -40.4 1.0 -25.5 -14.0 201 63 B M H X S+ 0 0 16 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.922 107.8 49.9 -57.9 -42.0 -1.2 -27.0 -11.3 202 64 B M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.851 110.4 50.1 -65.8 -36.4 1.8 -27.4 -9.1 203 65 B E H X S+ 0 0 79 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.929 110.8 48.8 -65.7 -45.3 2.8 -23.8 -9.7 204 66 B V H X S+ 0 0 2 -4,-2.8 4,-0.7 2,-0.2 10,-0.3 0.932 113.8 47.2 -57.9 -44.9 -0.7 -22.6 -8.9 205 67 B A H >< S+ 0 0 2 -4,-2.7 3,-0.9 -5,-0.2 6,-0.2 0.918 111.7 51.2 -62.2 -43.2 -0.6 -24.8 -5.7 206 68 B D H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.7 49.0 -63.8 -35.3 2.9 -23.4 -4.8 207 69 B R H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.571 92.9 105.5 -82.2 -8.9 1.7 -19.8 -5.2 208 70 B A << - 0 0 19 -3,-0.9 2,-0.5 -4,-0.7 3,-0.1 -0.223 64.2-139.7 -69.0 157.3 -1.3 -20.3 -3.0 209 71 B T B > S-B 212 0B 52 3,-2.2 3,-1.9 1,-0.1 -2,-0.1 -0.996 86.4 -15.5-114.6 123.4 -1.7 -19.1 0.6 210 72 B D T 3 S- 0 0 52 -2,-0.5 -1,-0.1 1,-0.3 -136,-0.1 0.889 130.6 -54.0 49.1 45.4 -3.3 -21.6 2.9 211 73 B C T 3 S+ 0 0 7 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.633 111.6 122.4 64.8 18.7 -4.6 -23.5 -0.2 212 74 B V B < -B 209 0B 20 -3,-1.9 -3,-2.2 52,-0.1 -1,-0.2 -0.961 57.7-136.5-111.0 117.9 -6.2 -20.4 -1.8 213 75 B P - 0 0 10 0, 0.0 -5,-0.1 0, 0.0 -8,-0.1 -0.303 25.6 -91.7 -73.8 157.9 -4.8 -19.7 -5.3 214 76 B L > - 0 0 73 -10,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.377 29.4-126.6 -59.7 141.7 -3.8 -16.2 -6.6 215 77 B A H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.875 111.4 57.6 -56.4 -39.1 -6.6 -14.5 -8.4 216 78 B S H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 104.1 51.9 -62.4 -34.7 -4.2 -14.0 -11.4 217 79 B D H > S+ 0 0 9 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.903 110.5 47.6 -67.8 -40.6 -3.7 -17.8 -11.6 218 80 B A H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 110.6 52.9 -62.7 -44.9 -7.5 -18.3 -11.6 219 81 B N H X S+ 0 0 67 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.937 107.5 51.2 -52.6 -51.1 -7.7 -15.6 -14.3 220 82 B T H X S+ 0 0 72 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.896 110.6 48.7 -56.3 -41.7 -5.1 -17.4 -16.5 221 83 B L H < S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 113.5 45.8 -71.8 -35.2 -7.1 -20.7 -16.2 222 84 B V H < S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.8 48.0 -72.0 -33.9 -10.4 -19.1 -17.2 223 85 B Q H < S+ 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