==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-NOV-09 3KUO . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.SERRANO,Z.CHEN,J.F.GAFF,R.ROSE,S.FRANZEN . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 75.5 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 . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 57.5 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 0 1 1 0 0 2 2 0 0 0 0 3 0 3 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 63 0, 0.0 4,-2.2 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-164.4 14.8 -21.4 -13.3 2 2 A F H > + 0 0 20 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 360.0 51.8 -58.0 -45.5 13.4 -18.2 -11.8 3 3 A K H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 110.0 49.2 -60.5 -43.2 16.6 -17.2 -10.1 4 4 A Q H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 105.9 57.8 -60.1 -40.0 18.6 -17.7 -13.3 5 5 A D H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.874 101.6 54.9 -60.8 -37.0 16.1 -15.5 -15.1 6 6 A I H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.928 110.2 47.1 -57.9 -45.0 16.8 -12.7 -12.7 7 7 A A H X S+ 0 0 50 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.896 110.9 51.6 -62.2 -43.2 20.5 -13.1 -13.7 8 8 A T H X S+ 0 0 18 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.953 114.5 42.4 -57.8 -50.2 19.6 -13.1 -17.4 9 9 A I H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 7,-0.3 0.950 114.9 49.6 -65.3 -46.3 17.5 -10.0 -17.1 10 10 A R H >< S+ 0 0 89 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.864 101.8 63.3 -60.6 -37.0 20.0 -8.2 -14.9 11 11 A G H 3< S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 124.0 17.7 -56.8 -35.0 22.9 -9.0 -17.2 12 12 A D T + 0 0 21 -3,-1.3 4,-3.0 1,-0.2 5,-0.3 0.875 68.9 48.6 -56.8 -50.9 18.9 -4.9 -17.9 14 14 A R H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 114.4 47.1 -59.4 -42.9 18.4 -1.9 -20.2 15 15 A T H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.948 117.8 39.6 -64.1 -52.4 17.7 -4.1 -23.2 16 16 A Y H X S+ 0 0 22 -4,-2.5 4,-2.9 -7,-0.3 5,-0.3 0.909 115.2 53.2 -64.5 -41.4 15.3 -6.5 -21.5 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 5,-0.2 0.948 113.8 42.7 -59.3 -48.9 13.6 -3.6 -19.6 18 18 A Q H X S+ 0 0 21 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.935 116.2 47.4 -63.7 -45.4 13.0 -1.7 -22.8 19 19 A D H X S+ 0 0 42 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.903 115.4 43.6 -68.6 -38.9 11.8 -4.7 -24.8 20 20 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.918 113.8 50.7 -71.4 -40.2 9.4 -6.0 -22.2 21 21 A F H X S+ 0 0 9 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.915 111.7 48.5 -64.6 -40.3 8.0 -2.6 -21.4 22 22 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.909 108.3 53.6 -64.5 -39.7 7.4 -2.0 -25.1 23 23 A A H X S+ 0 0 32 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.909 110.4 49.4 -60.8 -39.3 5.8 -5.4 -25.4 24 24 A F H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.957 113.2 44.0 -61.8 -52.9 3.5 -4.3 -22.5 25 25 A L H < S+ 0 0 1 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.868 115.9 48.4 -63.2 -35.6 2.5 -1.0 -24.1 26 26 A N H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.874 113.2 45.9 -76.7 -33.8 2.0 -2.5 -27.5 27 27 A K H < S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.871 127.4 29.8 -71.6 -35.1 -0.1 -5.4 -26.2 28 28 A Y >< + 0 0 48 -4,-2.4 3,-2.3 -5,-0.2 4,-0.4 -0.701 69.8 176.3-126.5 75.2 -2.2 -3.0 -24.1 29 29 A P G > S+ 0 0 89 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.778 75.9 67.8 -55.7 -30.4 -2.2 0.4 -25.8 30 30 A D G > S+ 0 0 111 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.780 91.3 64.7 -60.5 -23.0 -4.6 1.9 -23.2 31 31 A E G X S+ 0 0 5 -3,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.754 84.9 71.6 -70.9 -24.4 -1.7 1.6 -20.7 32 32 A R G X S+ 0 0 35 -3,-1.5 3,-2.0 -4,-0.4 6,-0.3 0.782 81.2 75.3 -62.5 -25.0 0.4 4.1 -22.6 33 33 A R G < S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.4 3,-0.2 0.741 87.4 60.4 -55.7 -29.4 -2.0 6.8 -21.4 34 34 A Y G < S+ 0 0 76 -3,-1.5 2,-0.6 1,-0.2 -1,-0.3 0.623 100.4 57.2 -74.9 -13.8 -0.3 6.6 -18.0 35 35 A F X - 0 0 49 -3,-2.0 3,-2.4 -4,-0.2 4,-0.5 -0.728 69.4-179.0-121.0 77.3 3.1 7.6 -19.5 36 36 A K G > S+ 0 0 183 -2,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.752 76.7 56.1 -57.3 -28.6 2.3 10.9 -21.1 37 37 A N G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.499 102.2 56.0 -84.6 -2.8 5.8 11.4 -22.5 38 38 A Y G X S+ 0 0 3 -3,-2.4 3,-1.0 -6,-0.3 -1,-0.2 0.406 79.6 118.3-103.2 -1.8 5.8 8.1 -24.4 39 39 A V T < S+ 0 0 79 -3,-0.7 3,-0.1 -4,-0.5 -6,-0.0 -0.424 79.0 14.6 -64.5 135.5 2.6 9.0 -26.3 40 40 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.783 98.7 122.6 71.5 31.1 3.1 9.2 -30.1 41 41 A K < - 0 0 75 -3,-1.0 -1,-0.2 4,-0.0 2,-0.0 -0.984 53.6-136.7-129.6 133.8 6.5 7.4 -30.1 42 42 A S > - 0 0 55 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.251 36.5 -98.6 -76.7 172.3 7.6 4.3 -32.0 43 43 A D H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 125.2 45.0 -58.5 -47.9 9.7 1.6 -30.4 44 44 A Q H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.879 109.5 55.0 -67.3 -37.8 12.9 2.9 -31.9 45 45 A E H >4 S+ 0 0 109 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.923 110.4 46.5 -59.5 -43.7 12.1 6.5 -31.0 46 46 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 7,-0.3 0.884 104.9 60.5 -66.7 -37.4 11.7 5.5 -27.4 47 47 A K H 3< S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.655 106.5 48.3 -65.3 -12.9 15.0 3.5 -27.4 48 48 A S T << S+ 0 0 102 -3,-0.9 2,-0.7 -4,-0.7 -1,-0.3 0.483 90.6 94.9-100.3 -8.9 16.7 6.8 -28.3 49 49 A M X> - 0 0 49 -3,-1.4 4,-1.8 -4,-0.4 3,-0.9 -0.766 64.5-153.3 -91.9 113.2 15.1 8.8 -25.5 50 50 A A H 3> S+ 0 0 66 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.859 94.5 57.8 -52.6 -39.9 17.2 8.9 -22.4 51 51 A K H 3> S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.854 105.6 49.7 -58.1 -41.7 14.1 9.4 -20.2 52 52 A F H <> S+ 0 0 0 -3,-0.9 4,-2.7 -6,-0.2 5,-0.3 0.931 111.5 48.0 -64.8 -46.9 12.6 6.1 -21.5 53 53 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 -7,-0.3 -2,-0.2 0.916 113.1 48.8 -59.4 -43.4 15.8 4.2 -20.8 54 54 A D H X S+ 0 0 80 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.929 112.6 47.0 -66.5 -43.8 16.1 5.6 -17.3 55 55 A H H X S+ 0 0 52 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.958 114.6 45.0 -62.2 -50.8 12.5 4.9 -16.4 56 56 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.884 112.5 52.0 -64.7 -37.9 12.5 1.3 -17.7 57 57 A E H X S+ 0 0 70 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.917 112.0 46.2 -62.8 -42.5 15.9 0.6 -16.1 58 58 A K H X S+ 0 0 157 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.909 113.8 49.1 -66.1 -42.4 14.6 1.9 -12.7 59 59 A V H X S+ 0 0 46 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.949 115.4 42.1 -61.2 -50.4 11.4 -0.1 -13.0 60 60 A F H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.828 109.9 57.0 -74.6 -28.1 13.1 -3.4 -13.9 61 61 A N H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.955 112.1 43.1 -61.5 -48.6 15.8 -2.9 -11.3 62 62 A L H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.924 112.4 53.1 -63.2 -42.8 13.1 -2.7 -8.7 63 63 A M H X S+ 0 0 17 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.921 110.4 47.6 -57.2 -44.4 11.2 -5.6 -10.2 64 64 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.863 109.9 52.5 -67.7 -35.1 14.3 -7.8 -10.1 65 65 A E H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 111.5 46.4 -64.1 -43.0 15.0 -6.8 -6.5 66 66 A V H X S+ 0 0 4 -4,-2.5 4,-0.9 2,-0.2 10,-0.3 0.923 114.5 48.5 -64.2 -43.1 11.5 -7.8 -5.5 67 67 A A H < S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.2 6,-0.2 0.907 111.2 49.7 -61.3 -42.6 11.9 -11.0 -7.5 68 68 A D H < S+ 0 0 63 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 110.8 49.2 -68.2 -32.8 15.2 -11.7 -5.8 69 69 A R H < S+ 0 0 109 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.623 93.6 99.7 -81.4 -13.3 13.8 -11.1 -2.3 70 70 A A < - 0 0 10 -4,-0.9 2,-0.5 -3,-0.5 -3,-0.0 -0.257 68.1-138.6 -67.1 156.6 10.9 -13.4 -3.1 71 71 A T B > S-A 74 0A 49 3,-2.1 3,-2.0 1,-0.1 141,-0.1 -0.996 83.4 -14.2-117.0 127.8 10.8 -17.0 -1.8 72 72 A D T 3 S- 0 0 62 -2,-0.5 -1,-0.1 1,-0.3 140,-0.1 0.854 130.1 -55.5 48.2 41.5 9.5 -19.6 -4.3 73 73 A S T 3 S+ 0 0 5 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.681 109.8 125.7 64.7 22.4 8.1 -16.7 -6.4 74 74 A V B < -A 71 0A 24 -3,-2.0 -3,-2.1 -7,-0.1 -1,-0.2 -0.950 55.2-139.7-107.0 114.6 6.1 -15.3 -3.4 75 75 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.373 23.2 -95.0 -76.6 156.0 7.1 -11.6 -2.9 76 76 A L > - 0 0 75 -10,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.386 24.7-127.4 -64.3 141.8 7.6 -10.0 0.5 77 77 A A H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.863 110.9 55.0 -55.4 -38.1 4.6 -8.2 2.0 78 78 A S H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 105.7 51.0 -67.8 -35.0 6.9 -5.1 2.4 79 79 A D H > S+ 0 0 10 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.901 110.0 49.1 -69.5 -41.1 7.8 -5.0 -1.2 80 80 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 110.8 51.8 -60.5 -42.7 4.1 -5.2 -2.3 81 81 A N H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.921 106.0 54.1 -60.7 -43.7 3.5 -2.4 0.2 82 82 A T H X S+ 0 0 56 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.934 109.4 48.3 -53.9 -47.0 6.3 -0.3 -1.4 83 83 A L H < S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.4 45.1 -65.6 -36.3 4.7 -0.7 -4.8 84 84 A V H < S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.1 46.2 -71.9 -40.7 1.2 0.3 -3.6 85 85 A Q H < S+ 0 0 127 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.568 80.8 117.1 -86.3 -10.6 2.3 3.3 -1.5 86 86 A M >< - 0 0 44 -4,-1.3 3,-2.0 -5,-0.2 4,-0.1 -0.404 68.4-135.0 -55.8 126.6 4.6 4.8 -4.2 87 87 A K G > S+ 0 0 168 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.848 104.3 60.3 -55.3 -36.4 3.1 8.2 -5.1 88 88 A Q G 3 S+ 0 0 121 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.642 105.9 48.1 -66.2 -16.3 3.6 7.3 -8.8 89 89 A H G X S+ 0 0 42 -3,-2.0 3,-1.5 1,-0.1 -1,-0.3 0.216 76.0 112.1-108.3 12.4 1.3 4.3 -8.4 90 90 A S T < S+ 0 0 105 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.777 80.0 44.2 -58.5 -32.3 -1.5 6.1 -6.6 91 91 A S T 3 S+ 0 0 89 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.427 93.6 109.2 -94.4 -1.0 -4.0 5.8 -9.5 92 92 A L < - 0 0 31 -3,-1.5 45,-0.5 -8,-0.1 2,-0.3 -0.323 48.3-158.7 -83.7 157.4 -3.3 2.2 -10.4 93 93 A T >> - 0 0 60 44,-0.2 3,-1.3 43,-0.1 4,-0.8 -0.823 39.2-101.0-121.9 167.6 -5.4 -0.9 -9.9 94 94 A T H 3> S+ 0 0 33 -2,-0.3 4,-2.6 1,-0.3 3,-0.3 0.802 117.2 69.6 -62.4 -25.6 -4.2 -4.6 -9.8 95 95 A G H 3> S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.811 92.5 58.3 -59.6 -33.2 -5.3 -5.0 -13.5 96 96 A N H <> S+ 0 0 12 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.909 110.2 42.4 -60.5 -43.1 -2.5 -2.7 -14.5 97 97 A F H X S+ 0 0 18 -4,-0.8 4,-2.4 -3,-0.3 -2,-0.2 0.874 110.2 56.8 -72.3 -38.5 -0.0 -5.1 -12.9 98 98 A E H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 107.4 49.4 -56.8 -45.0 -1.8 -8.1 -14.3 99 99 A K H X S+ 0 0 73 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.901 108.0 53.4 -63.0 -41.6 -1.4 -6.7 -17.8 100 100 A L H X S+ 0 0 22 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.938 112.6 43.9 -59.3 -44.4 2.3 -6.1 -17.3 101 101 A F H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.865 109.8 54.5 -74.9 -30.3 2.9 -9.7 -16.2 102 102 A V H X S+ 0 0 39 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.944 113.2 44.7 -61.6 -45.7 0.8 -11.2 -19.0 103 103 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 112.8 51.2 -64.4 -40.3 2.9 -9.2 -21.5 104 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.922 111.7 46.4 -62.8 -45.2 6.2 -10.2 -19.7 105 105 A V H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.910 112.1 50.7 -64.9 -42.0 5.3 -13.9 -19.7 106 106 A E H X S+ 0 0 84 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.910 110.3 50.6 -62.7 -40.8 4.2 -13.7 -23.4 107 107 A Y H X S+ 0 0 51 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.927 110.6 48.9 -60.3 -46.7 7.6 -12.0 -24.2 108 108 A M H < S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.920 111.0 49.9 -62.4 -40.9 9.5 -14.7 -22.3 109 109 A R H < S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.7 46.7 -66.7 -33.9 7.6 -17.5 -24.1 110 110 A A H < S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.659 94.8 103.7 -80.6 -15.7 8.3 -15.9 -27.5 111 111 A S S < S- 0 0 35 -4,-1.2 4,-0.1 -3,-0.5 -3,-0.0 -0.281 70.8-138.6 -72.0 150.8 12.0 -15.3 -26.8 112 112 A G S S+ 0 0 92 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.639 86.9 87.6 -74.9 -19.5 14.9 -17.4 -28.1 113 113 A Q S S- 0 0 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4,-2.6 2,-0.2 5,-0.2 0.875 110.0 57.7 -54.6 -38.3 6.2 -14.0 8.3 216 78 B S H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 103.7 52.2 -64.2 -35.6 3.8 -13.4 11.3 217 79 B D H > S+ 0 0 13 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.906 110.1 47.8 -66.1 -42.6 3.4 -17.2 11.7 218 80 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.921 110.8 51.9 -62.4 -43.8 7.2 -17.7 11.9 219 81 B N H X S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.934 107.9 51.5 -60.0 -44.3 7.5 -14.8 14.3 220 82 B T H X S+ 0 0 70 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.925 109.1 51.0 -56.9 -44.7 4.8 -16.4 16.6 221 83 B L H < S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.7 45.9 -63.1 -35.1 6.7 -19.7 16.5 222 84 B V H < S+ 0 0 28 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.7 48.4 -71.9 -39.8 10.0 -18.0 17.5 223 85 B Q H < S+ 0 0 138 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.641 80.1 113.5 -80.0 -18.3 8.4 -15.9 20.3 224 86 B M >< - 0 0 54 -4,-1.5 3,-2.0 -5,-0.2 4,-0.1 -0.367 68.5-136.9 -57.5 127.4 6.5 -18.7 22.0 225 87 B K G > S+ 0 0 166 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.850 103.4 63.0 -54.5 -35.8 8.0 -19.3 25.4 226 88 B Q G 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.685 104.7 47.7 -63.9 -19.2 7.9 -23.0 24.9 227 89 B H G X S+ 0 0 42 -3,-2.0 3,-1.3 1,-0.1 -1,-0.3 0.227 76.2 114.2-105.5 12.7 10.3 -22.6 21.9 228 90 B S T < S+ 0 0 90 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.771 79.5 42.1 -59.5 -31.5 12.8 -20.4 23.7 229 91 B S T 3 S+ 0 0 81 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.517 93.8 109.9 -94.9 -5.1 15.8 -22.8 23.6 230 92 B L < - 0 0 30 -3,-1.3 45,-0.4 -8,-0.1 2,-0.3 -0.234 48.9-157.8 -73.9 156.4 15.2 -24.1 20.1 231 93 B T >> - 0 0 42 44,-0.2 3,-1.3 43,-0.1 4,-0.8 -0.828 37.7-102.7-121.9 166.5 17.3 -23.5 16.9 232 94 B T H 3> S+ 0 0 25 -2,-0.3 4,-2.2 1,-0.3 3,-0.4 0.811 116.4 69.7 -62.2 -25.2 16.2 -23.8 13.3 233 95 B G H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.821 92.0 58.8 -60.6 -32.1 17.9 -27.2 13.1 234 96 B N H <> S+ 0 0 16 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.912 108.4 44.8 -61.3 -43.0 15.2 -28.6 15.4 235 97 B F H X S+ 0 0 19 -4,-0.8 4,-2.2 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1,-0.2 -1,-0.2 0.930 109.8 49.8 -57.4 -48.2 6.9 -40.4 6.6 246 108 B M H < S+ 0 0 3 -4,-2.3 7,-0.3 1,-0.2 3,-0.3 0.908 110.6 49.4 -60.6 -41.7 4.9 -39.1 3.7 247 109 B R H < S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.0 47.3 -65.2 -38.4 7.1 -40.8 1.1 248 110 B A H < S+ 0 0 88 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.691 97.0 95.5 -76.3 -18.7 6.8 -44.1 3.0 249 111 B S S < S- 0 0 27 -4,-1.4 4,-0.1 -3,-0.3 -3,-0.0 -0.233 82.5-121.5 -74.0 159.5 3.1 -43.9 3.4 250 112 B G S S+ 0 0 87 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.284 84.3 100.2 -77.7 10.2 0.4 -45.4 1.1 251 113 B Q S S- 0 0 96 -5,-0.3 2,-1.3 1,-0.0 -2,-0.1 -0.665 81.9-119.1-101.4 155.5 -1.0 -41.9 0.5 252 114 B S + 0 0 125 -2,-0.2 -109,-0.1 2,-0.1 -5,-0.1 -0.331 51.3 164.6 -85.0 53.4 -0.5 -39.5 -2.4 253 115 B F - 0 0 21 -2,-1.3 2,-1.4 -7,-0.3 3,-0.2 -0.384 46.7-124.4 -67.0 149.4 1.1 -36.8 -0.4 254 116 B D >> + 0 0 51 -115,-0.2 4,-1.3 1,-0.2 3,-0.8 -0.637 40.3 172.7 -91.1 76.2 3.0 -34.0 -2.1 255 117 B S H 3> + 0 0 20 -2,-1.4 4,-1.9 1,-0.3 3,-0.2 0.854 69.5 58.5 -61.5 -36.3 6.2 -34.8 -0.1 256 118 B Q H 3> S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.862 103.9 52.7 -58.9 -38.4 8.4 -32.3 -2.1 257 119 B S H <> S+ 0 0 13 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.842 107.5 51.0 -70.2 -31.4 6.1 -29.4 -1.2 258 120 B W H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.846 108.1 53.5 -72.3 -31.9 6.4 -30.3 2.5 259 121 B D H X S+ 0 0 45 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.945 111.1 45.4 -64.5 -47.2 10.1 -30.3 2.1 260 122 B R H X S+ 0 0 73 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.915 110.8 54.1 -58.9 -45.7 10.0 -26.8 0.6 261 123 B F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 108.9 48.7 -54.8 -47.9 7.6 -25.8 3.4 262 124 B G H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.919 113.3 46.1 -60.3 -44.5 10.1 -26.9 6.0 263 125 B K H X S+ 0 0 115 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.901 113.6 48.8 -67.1 -39.4 13.0 -25.1 4.4 264 126 B N H X S+ 0 0 20 -4,-3.0 4,-2.3 -53,-0.2 -2,-0.2 0.867 110.4 51.6 -69.5 -34.6 10.9 -21.9 3.9 265 127 B L H X S+ 0 0 7 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.937 107.9 51.6 -65.2 -44.2 9.8 -22.1 7.5 266 128 B V H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 110.6 49.3 -56.8 -45.3 13.5 -22.5 8.6 267 129 B S H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.918 112.9 46.7 -59.0 -45.1 14.3 -19.4 6.5 268 130 B A H X S+ 0 0 19 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.861 109.5 53.4 -67.3 -38.4 11.4 -17.4 8.1 269 131 B L H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 -1,-0.2 0.911 109.6 49.3 -62.6 -40.6 12.3 -18.5 11.6 270 132 B S H ><5S+ 0 0 71 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.921 108.7 52.0 -63.7 -43.5 15.9 -17.2 11.0 271 133 B S H 3<5S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.8 53.4 -61.2 -32.9 14.5 -13.9 9.7 272 134 B A T 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.424 130.6 -94.9 -83.5 -1.4 12.4 -13.6 12.9 273 135 B G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.403 70.8 147.9 109.7 -1.1 15.6 -14.1 15.0 274 136 B M < 0 0 14 -5,-2.5 -1,-0.3 1,-0.2 -43,-0.1 -0.487 360.0 360.0 -68.4 135.4 15.8 -17.8 15.8 275 137 B K 0 0 187 -45,-0.4 -44,-0.2 -2,-0.2 -1,-0.2 0.608 360.0 360.0 -68.1 360.0 19.5 -19.0 16.1