==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 30-JUL-10 3O7N . COMPND 2 MOLECULE: DEHALOPEROXIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR V.S.DE SERRANO,M.F.DAVIS,S.FRANZEN . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 74.4 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 . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 56.0 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+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 2 0 0 0 3 1 0 0 1 0 2 0 4 1 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 . 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 60 0, 0.0 4,-2.1 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-160.9 15.0 -21.4 -13.5 2 2 A F H > + 0 0 22 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.900 360.0 50.4 -60.6 -45.1 13.8 -18.3 -11.9 3 3 A K H > S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 112.3 49.6 -62.1 -42.7 17.1 -17.3 -10.1 4 4 A Q H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 106.1 56.2 -58.5 -41.1 18.9 -17.7 -13.4 5 5 A D H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.885 102.8 54.3 -63.0 -34.7 16.3 -15.6 -15.2 6 6 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.922 110.9 46.9 -61.1 -40.8 17.0 -12.7 -12.8 7 7 A A H X S+ 0 0 52 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.887 111.6 50.8 -66.8 -42.5 20.7 -13.0 -13.7 8 8 A T H X S+ 0 0 22 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.947 114.7 42.8 -58.6 -50.0 19.9 -13.1 -17.4 9 9 A I H >< S+ 0 0 1 -4,-2.9 3,-1.0 1,-0.2 7,-0.3 0.926 114.3 49.9 -64.1 -52.3 17.7 -10.0 -17.2 10 10 A R H >< S+ 0 0 93 -4,-2.9 3,-1.3 -5,-0.3 -1,-0.2 0.853 100.4 66.8 -53.8 -36.2 20.2 -8.2 -14.9 11 11 A G H 3< S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 123.5 13.4 -54.8 -39.1 23.0 -9.0 -17.3 12 12 A D T + 0 0 17 -3,-1.3 4,-3.1 1,-0.2 5,-0.3 0.907 68.1 53.4 -63.5 -41.8 18.9 -5.0 -17.9 14 14 A R H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 112.4 43.9 -52.1 -53.9 18.5 -1.9 -20.2 15 15 A T H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 117.3 44.2 -62.8 -51.8 17.7 -4.0 -23.2 16 16 A Y H X S+ 0 0 25 -4,-2.1 4,-2.7 -7,-0.3 5,-0.3 0.916 112.9 52.1 -54.9 -45.7 15.3 -6.4 -21.4 17 17 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 0.953 115.1 41.1 -63.2 -46.2 13.5 -3.5 -19.5 18 18 A Q H X S+ 0 0 19 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.920 115.6 51.4 -68.3 -41.6 12.9 -1.6 -22.8 19 19 A D H X S+ 0 0 56 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.894 114.4 42.1 -58.7 -47.4 11.9 -4.8 -24.7 20 20 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 112.2 53.1 -74.0 -37.7 9.5 -5.9 -22.1 21 21 A F H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.936 111.0 47.6 -61.8 -46.1 8.0 -2.5 -21.6 22 22 A L H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.883 109.2 53.5 -60.7 -41.2 7.4 -2.1 -25.3 23 23 A A H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 109.2 50.5 -59.0 -36.9 5.8 -5.6 -25.4 24 24 A F H X S+ 0 0 13 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.964 112.3 45.7 -65.7 -52.4 3.5 -4.5 -22.6 25 25 A L H < S+ 0 0 0 -4,-2.7 7,-0.2 1,-0.2 -2,-0.2 0.827 113.4 49.7 -59.4 -38.4 2.5 -1.3 -24.5 26 26 A N H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.871 114.5 43.7 -69.9 -35.7 2.0 -3.2 -27.8 27 27 A K H < S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.872 131.1 24.6 -73.5 -32.8 -0.2 -5.9 -26.2 28 28 A Y S >< S+ 0 0 44 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.3 -0.764 72.1 172.4-132.5 73.5 -2.2 -3.3 -24.1 29 29 A P G > S+ 0 0 19 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.813 72.4 68.5 -67.9 -22.7 -1.9 -0.1 -26.1 30 30 A D G > S+ 0 0 66 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.756 85.8 73.0 -63.4 -22.6 -4.4 1.8 -23.9 31 31 A E G X S+ 0 0 17 -3,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.648 75.8 78.6 -66.4 -16.7 -1.7 1.6 -21.1 32 32 A R G X S+ 0 0 22 -3,-1.8 3,-2.7 -4,-0.2 6,-0.3 0.816 73.2 80.3 -63.7 -23.3 0.4 4.2 -22.9 33 33 A R G < S+ 0 0 184 -3,-1.4 -1,-0.2 1,-0.3 3,-0.2 0.704 84.9 60.0 -52.7 -25.3 -2.0 6.9 -21.4 34 34 A Y G < S+ 0 0 97 -3,-1.4 2,-0.4 1,-0.2 -1,-0.3 0.523 101.5 56.0 -80.0 -6.2 -0.1 6.6 -18.1 35 35 A F X + 0 0 27 -3,-2.7 3,-2.1 1,-0.1 4,-0.4 -0.785 67.7 177.4-128.3 77.6 3.1 7.7 -19.8 36 36 A K G > S+ 0 0 187 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.781 75.7 60.9 -66.0 -27.9 2.1 11.0 -21.4 37 37 A N G 3 S+ 0 0 56 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.570 101.1 54.9 -67.3 -17.4 5.6 11.7 -22.8 38 38 A Y G X S+ 0 0 11 -3,-2.1 3,-1.4 -6,-0.3 -1,-0.2 0.500 75.8 117.4-100.1 -7.2 5.5 8.5 -24.9 39 39 A V T < S+ 0 0 59 -3,-0.8 3,-0.1 -4,-0.4 -3,-0.0 -0.383 86.4 6.8 -63.5 131.0 2.3 9.2 -26.8 40 40 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.679 99.4 122.2 72.3 21.9 3.0 9.5 -30.6 41 41 A K < - 0 0 60 -3,-1.4 101,-0.3 2,-0.0 -1,-0.2 -0.918 57.8-128.3-117.1 137.4 6.7 8.5 -30.5 42 42 A S > - 0 0 21 -2,-0.4 4,-2.6 99,-0.2 5,-0.2 -0.332 33.3-101.8 -75.5 166.4 8.1 5.6 -32.4 43 43 A D H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.882 123.6 49.4 -51.9 -47.6 10.2 3.0 -30.6 44 44 A Q H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.904 110.3 50.8 -62.7 -38.5 13.5 4.5 -31.8 45 45 A E H >4 S+ 0 0 71 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.946 108.8 52.3 -67.3 -38.4 12.4 8.0 -30.8 46 46 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 7,-0.4 0.909 105.4 53.7 -61.1 -42.3 11.6 6.6 -27.3 47 47 A K H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.656 104.8 57.6 -69.9 -8.6 15.0 5.0 -26.9 48 48 A S T << S+ 0 0 100 -3,-1.2 2,-0.6 -4,-0.8 -1,-0.3 0.487 87.7 90.7 -91.6 -8.1 16.5 8.5 -27.8 49 49 A M S X> S- 0 0 48 -3,-1.9 4,-1.3 -4,-0.3 3,-1.0 -0.814 74.0-143.8 -98.2 120.0 14.6 10.0 -24.8 50 50 A A H 3> S+ 0 0 74 -2,-0.6 4,-2.2 1,-0.3 -1,-0.1 0.850 97.3 50.2 -52.3 -46.5 16.7 10.0 -21.7 51 51 A K H 34 S+ 0 0 168 2,-0.2 -1,-0.3 3,-0.2 -4,-0.1 0.765 102.9 63.5 -62.3 -30.6 13.8 9.3 -19.2 52 52 A F H <4 S+ 0 0 0 -3,-1.0 5,-0.3 -6,-0.3 -2,-0.2 0.994 111.8 32.8 -59.7 -59.2 12.6 6.4 -21.3 53 53 A G H < 0 0 1 -4,-1.3 4,-2.2 -7,-0.4 -2,-0.2 0.907 360.0 360.0 -61.6 -42.5 15.7 4.3 -20.8 54 54 A D < 0 0 79 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.939 360.0 360.0 -65.5 360.0 16.3 5.6 -17.3 55 ! 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 56 56 A T > 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.1 12.3 1.8 -17.6 57 57 A E H > + 0 0 66 -4,-2.2 4,-2.6 -5,-0.3 -3,-0.1 0.912 360.0 50.4 -59.4 -42.5 15.6 0.5 -16.3 58 58 A K H > S+ 0 0 148 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.869 108.3 53.6 -69.7 -35.4 14.7 1.6 -12.8 59 59 A W H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 113.5 41.7 -54.2 -56.8 11.3 -0.1 -13.0 60 60 A F H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.805 109.0 59.0 -76.2 -23.5 12.9 -3.4 -13.9 61 61 A N H X S+ 0 0 62 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.951 109.8 43.2 -64.2 -48.4 15.7 -3.0 -11.4 62 62 A L H X S+ 0 0 40 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.878 111.1 56.6 -61.2 -40.0 13.1 -2.8 -8.6 63 63 A M H X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.930 109.4 46.3 -51.4 -48.2 11.2 -5.7 -10.3 64 64 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.852 110.2 52.3 -67.3 -32.7 14.4 -7.7 -10.1 65 65 A E H X S+ 0 0 68 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.916 111.8 45.8 -71.1 -34.9 15.0 -6.8 -6.5 66 66 A V H X S+ 0 0 3 -4,-2.7 4,-1.0 1,-0.2 10,-0.3 0.917 113.4 50.7 -68.0 -42.5 11.5 -7.8 -5.6 67 67 A A H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 6,-0.2 0.903 111.4 48.4 -60.2 -46.8 12.0 -11.1 -7.6 68 68 A D H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 108.9 51.9 -67.8 -28.3 15.3 -11.8 -5.8 69 69 A R H 3< S+ 0 0 110 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.623 92.3 102.3 -81.7 -12.5 13.8 -11.2 -2.3 70 70 A A << - 0 0 10 -4,-1.0 2,-0.5 -3,-0.6 3,-0.1 -0.230 66.6-140.2 -68.0 153.3 11.0 -13.6 -3.0 71 71 A T B > S-A 74 0A 103 3,-2.0 3,-2.2 1,-0.2 -2,-0.1 -0.989 84.9 -17.4-110.4 124.9 10.9 -17.1 -1.7 72 72 A D T 3 S- 0 0 131 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.896 130.0 -53.9 47.6 42.0 9.5 -19.6 -4.2 73 73 A C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.597 109.1 126.8 67.3 18.3 8.1 -16.7 -6.2 74 74 A V B < -A 71 0A 80 -3,-2.2 -3,-2.0 52,-0.1 -1,-0.2 -0.917 53.3-142.7-106.7 118.1 6.2 -15.3 -3.2 75 75 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.239 22.9 -97.0 -77.1 157.6 7.2 -11.6 -2.8 76 76 A L >> - 0 0 72 -10,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.517 24.9-131.9 -65.3 139.8 7.7 -9.8 0.5 77 77 A A H 3> S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 108.9 61.1 -60.4 -29.4 4.6 -7.9 1.7 78 78 A S H 3> S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 103.7 49.2 -61.3 -36.1 6.9 -5.0 2.3 79 79 A D H <> S+ 0 0 10 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.938 109.6 50.1 -71.3 -41.1 7.8 -5.0 -1.3 80 80 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.938 108.6 54.2 -64.4 -34.4 4.2 -5.0 -2.4 81 81 A N H X S+ 0 0 51 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.906 104.1 54.4 -65.9 -41.6 3.6 -2.1 -0.1 82 82 A T H X S+ 0 0 68 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.927 108.7 48.8 -50.5 -51.1 6.3 -0.1 -1.7 83 83 A L H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 114.1 46.1 -61.0 -35.4 4.8 -0.6 -5.1 84 84 A V H < S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.931 112.8 48.1 -75.0 -40.3 1.3 0.5 -3.7 85 85 A Q H < S+ 0 0 145 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.609 81.8 116.9 -74.2 -23.6 2.5 3.6 -1.8 86 86 A M >< - 0 0 48 -4,-1.4 3,-2.1 -5,-0.2 4,-0.2 -0.310 65.7-138.6 -53.1 126.3 4.7 5.0 -4.7 87 87 A K G > S+ 0 0 161 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.857 103.6 61.2 -55.1 -36.7 3.3 8.4 -5.8 88 88 A Q G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.643 106.1 46.7 -68.0 -14.6 3.8 7.3 -9.4 89 89 A H G X S+ 0 0 17 -3,-2.1 3,-2.1 1,-0.1 -1,-0.3 0.272 76.0 114.7-107.5 15.5 1.4 4.4 -8.9 90 90 A S T < S+ 0 0 95 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.748 81.0 40.9 -62.9 -29.6 -1.4 6.3 -7.2 91 91 A S T 3 S+ 0 0 86 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.279 94.8 108.0-104.5 14.3 -4.0 5.8 -9.9 92 92 A L < - 0 0 33 -3,-2.1 45,-0.5 -8,-0.1 2,-0.3 -0.443 47.8-162.0 -83.9 159.9 -3.1 2.2 -10.7 93 93 A T >> - 0 0 39 44,-0.2 3,-1.4 -2,-0.1 4,-0.9 -0.864 40.8 -95.8-131.1 169.1 -5.1 -0.9 -9.9 94 94 A T H 3> S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.3 3,-0.2 0.785 119.5 69.3 -57.8 -30.5 -4.1 -4.5 -9.8 95 95 A G H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.847 93.9 56.5 -54.2 -37.8 -5.4 -4.9 -13.4 96 96 A N H <> S+ 0 0 14 -3,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.919 110.7 43.4 -60.2 -43.7 -2.4 -2.7 -14.6 97 97 A F H X S+ 0 0 17 -4,-0.9 4,-2.4 -3,-0.2 -2,-0.2 0.838 109.9 55.7 -69.1 -34.3 -0.0 -5.2 -13.0 98 98 A E H X S+ 0 0 109 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.941 108.7 49.2 -66.8 -45.0 -1.9 -8.2 -14.3 99 99 A K H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.885 108.2 53.7 -54.4 -44.6 -1.5 -6.9 -17.8 100 100 A L H X S+ 0 0 16 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.951 111.6 45.6 -59.7 -44.9 2.2 -6.2 -17.3 101 101 A F H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.867 108.0 54.1 -72.3 -33.5 2.7 -9.8 -16.3 102 102 A V H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.938 114.0 43.8 -59.3 -47.0 0.7 -11.3 -19.0 103 103 A A H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.885 112.8 52.6 -62.0 -41.2 2.9 -9.3 -21.5 104 104 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.950 112.0 45.0 -63.7 -47.9 6.1 -10.3 -19.6 105 105 A V H X S+ 0 0 9 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.930 113.0 50.3 -67.5 -42.9 5.2 -14.0 -19.7 106 106 A E H X S+ 0 0 96 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 110.4 51.0 -60.0 -41.8 4.2 -13.8 -23.4 107 107 A Y H X S+ 0 0 48 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.929 110.5 48.4 -58.5 -45.7 7.5 -12.1 -24.2 108 108 A M H >< S+ 0 0 5 -4,-2.6 3,-0.6 1,-0.2 7,-0.3 0.938 110.7 50.5 -61.3 -45.1 9.5 -14.8 -22.3 109 109 A R H 3< S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.5 45.9 -63.6 -35.4 7.6 -17.6 -24.2 110 110 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 95.6 99.3 -80.2 -19.2 8.3 -16.0 -27.6 111 111 A S S << S- 0 0 36 -4,-1.3 4,-0.1 -3,-0.6 -3,-0.0 -0.284 75.3-130.3 -68.7 157.2 12.0 -15.3 -27.0 112 112 A G S S+ 0 0 96 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.646 86.4 89.5 -69.0 -22.5 15.1 -17.3 -28.1 113 113 A Q S S- 0 0 97 1,-0.1 2,-1.7 -5,-0.1 -2,-0.1 -0.678 88.9-113.5 -80.4 140.5 16.5 -17.2 -24.4 114 114 A S + 0 0 107 -2,-0.3 -1,-0.1 2,-0.0 -5,-0.1 -0.316 47.0 170.2 -75.4 54.2 15.4 -20.1 -22.0 115 115 A F - 0 0 23 -2,-1.7 2,-1.2 -7,-0.3 3,-0.2 -0.321 41.8-124.9 -69.7 153.0 13.3 -18.4 -19.3 116 116 A D >> + 0 0 49 -115,-0.2 4,-1.4 1,-0.2 3,-0.6 -0.676 39.4 172.7 -91.2 80.8 11.2 -20.3 -16.7 117 117 A S H 3> + 0 0 17 -2,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.819 67.6 64.3 -69.4 -33.1 8.0 -18.5 -17.8 118 118 A Q H 3> S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.906 104.2 48.9 -55.8 -43.4 5.7 -20.6 -15.6 119 119 A S H <> S+ 0 0 18 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.869 108.8 51.6 -64.6 -41.3 7.5 -19.1 -12.5 120 120 A W H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.874 109.6 51.2 -62.5 -38.0 7.2 -15.5 -13.8 121 121 A D H X S+ 0 0 64 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.930 113.6 44.5 -59.9 -50.6 3.4 -16.2 -14.3 122 122 A R H X S+ 0 0 105 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.925 112.2 51.4 -61.9 -45.7 3.2 -17.5 -10.6 123 123 A F H X S+ 0 0 1 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.930 110.1 50.6 -56.6 -42.7 5.3 -14.6 -9.3 124 124 A G H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.923 111.0 48.0 -61.3 -42.2 3.0 -12.1 -11.1 125 125 A K H X S+ 0 0 126 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.911 113.9 46.8 -65.2 -44.0 -0.1 -13.8 -9.6 126 126 A N H X S+ 0 0 45 -4,-2.9 4,-2.4 -53,-0.2 -2,-0.2 0.919 111.6 49.8 -67.8 -36.0 1.5 -13.7 -6.1 127 127 A L H X S+ 0 0 7 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.926 108.5 53.7 -67.5 -40.6 2.6 -10.1 -6.4 128 128 A V H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.932 108.8 50.0 -58.9 -41.6 -1.0 -9.2 -7.6 129 129 A S H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.942 112.1 47.5 -59.0 -50.9 -2.4 -10.9 -4.4 130 130 A A H X S+ 0 0 17 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.814 110.1 52.5 -61.6 -33.7 0.1 -8.9 -2.2 131 131 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.4 0.929 110.3 47.6 -68.4 -44.0 -0.8 -5.6 -4.0 132 132 A S H ><5S+ 0 0 59 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.948 112.7 48.9 -63.3 -43.4 -4.5 -6.1 -3.4 133 133 A S H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.685 105.4 57.1 -72.1 -15.6 -3.8 -7.0 0.3 134 134 A A T 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.298 132.9 -91.4 -92.8 4.8 -1.6 -3.9 0.7 135 135 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.452 74.7 147.4 106.6 3.9 -4.6 -1.8 -0.4 136 136 A M < 0 0 14 -5,-2.6 -1,-0.3 -6,-0.1 -43,-0.1 -0.514 360.0 360.0 -68.9 138.1 -4.3 -1.5 -4.2 137 137 A K 0 0 176 -45,-0.5 -44,-0.2 -2,-0.2 -1,-0.1 0.755 360.0 360.0 -57.7 360.0 -7.8 -1.3 -5.9 138 !* 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 0.0 139 1 B G > 0 0 6 0, 0.0 4,-2.7 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-165.8 1.3 1.9 -30.9 140 2 B F H > + 0 0 23 1,-0.2 4,-1.9 2,-0.2 114,-0.1 0.942 360.0 50.7 -58.2 -53.9 0.2 3.9 -33.9 141 3 B K H > S+ 0 0 42 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.890 113.4 46.4 -54.7 -45.7 3.5 5.6 -34.5 142 4 B Q H > S+ 0 0 35 -101,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.913 105.8 59.6 -65.8 -41.9 5.4 2.3 -34.4 143 5 B D H X S+ 0 0 5 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.842 100.2 56.6 -52.4 -40.1 2.9 0.6 -36.7 144 6 B I H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.943 109.4 45.5 -55.6 -47.2 3.7 3.2 -39.3 145 7 B A H X S+ 0 0 41 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.907 111.9 53.1 -65.3 -37.0 7.4 2.1 -39.1 146 8 B T H < S+ 0 0 34 -4,-2.6 4,-0.5 2,-0.2 3,-0.2 0.964 111.7 43.8 -63.4 -47.4 6.3 -1.6 -39.2 147 9 B I H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 7,-0.3 0.937 112.6 53.1 -60.8 -45.0 4.3 -1.2 -42.3 148 10 B R H >< S+ 0 0 99 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.795 99.8 63.7 -65.2 -27.2 7.1 0.9 -43.9 149 11 B G T 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.648 125.0 13.8 -69.5 -15.7 9.6 -1.9 -43.2 150 12 B D T <> S+ 0 0 81 -3,-1.8 4,-2.3 -4,-0.5 -1,-0.3 -0.299 82.5 153.6-153.9 53.6 7.7 -4.3 -45.5 151 13 B L H <> + 0 0 19 -3,-0.8 4,-3.6 1,-0.2 5,-0.3 0.862 65.8 53.9 -60.1 -49.3 5.5 -1.9 -47.4 152 14 B R H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 114.0 43.1 -52.0 -48.8 5.0 -3.8 -50.7 153 15 B T H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.951 117.5 43.3 -69.9 -49.2 3.8 -6.9 -48.9 154 16 B Y H X S+ 0 0 25 -4,-2.3 4,-2.7 -7,-0.3 5,-0.3 0.930 114.6 51.8 -62.8 -43.2 1.5 -5.1 -46.3 155 17 B A H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 5,-0.2 0.926 114.8 40.7 -60.9 -46.3 0.1 -2.7 -49.1 156 18 B Q H X S+ 0 0 23 -4,-2.3 4,-3.2 -5,-0.3 5,-0.3 0.947 115.2 52.6 -70.9 -42.6 -0.8 -5.6 -51.4 157 19 B D H X S+ 0 0 59 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.892 115.2 41.0 -53.8 -45.4 -2.1 -7.8 -48.4 158 20 B I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.909 114.3 50.2 -76.9 -39.8 -4.4 -5.0 -47.2 159 21 B F H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.913 111.9 48.7 -68.5 -42.4 -5.6 -3.9 -50.6 160 22 B L H X S+ 0 0 7 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.928 108.6 53.8 -62.7 -40.1 -6.4 -7.5 -51.4 161 23 B A H X S+ 0 0 32 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.902 110.7 49.0 -56.0 -42.6 -8.3 -7.9 -48.1 162 24 B F H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 112.1 44.6 -60.1 -52.8 -10.3 -4.8 -49.1 163 25 B L H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.863 116.0 49.1 -69.5 -27.1 -11.2 -6.0 -52.6 164 26 B N H < S+ 0 0 82 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 114.3 42.8 -78.7 -36.2 -12.1 -9.5 -51.3 165 27 B K H < S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.858 130.4 29.0 -71.5 -31.6 -14.3 -8.2 -48.5 166 28 B Y >< + 0 0 31 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 -0.652 69.8 169.2-127.4 66.2 -15.9 -5.6 -50.9 167 29 B P G > S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.780 74.1 67.3 -61.0 -23.2 -15.7 -7.2 -54.4 168 30 B D G > S+ 0 0 96 1,-0.3 3,-1.4 2,-0.1 4,-0.1 0.714 83.5 74.4 -67.3 -22.2 -18.0 -4.5 -55.8 169 31 B E G X S+ 0 0 11 -3,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.653 73.3 83.1 -67.9 -15.8 -15.2 -1.9 -55.2 170 32 B R G X S+ 0 0 23 -3,-1.6 3,-1.5 1,-0.2 6,-0.3 0.723 73.1 76.2 -59.9 -21.6 -13.3 -3.3 -58.2 171 33 B R G < S+ 0 0 171 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.679 86.5 60.9 -63.2 -19.3 -15.5 -1.1 -60.5 172 34 B Y G < S+ 0 0 75 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.2 0.574 104.7 60.4 -82.2 -11.8 -13.4 1.9 -59.4 173 35 B F S < S- 0 0 50 -3,-1.5 2,-0.4 -4,-0.2 4,-0.1 -0.710 80.2-123.2-118.1 158.1 -10.3 0.3 -60.9 174 36 B K S S+ 0 0 176 -2,-0.2 -3,-0.0 1,-0.1 -2,-0.0 -0.886 84.3 3.5-106.4 137.2 -9.3 -0.9 -64.3 175 37 B N S S+ 0 0 115 -2,-0.4 -1,-0.1 1,-0.1 -5,-0.0 0.445 94.3 103.0 81.6 8.0 -8.2 -4.5 -65.1 176 38 B Y > + 0 0 8 -6,-0.3 3,-0.9 -3,-0.1 8,-0.1 0.687 50.9 99.8 -97.1 -19.2 -8.8 -6.2 -61.7 177 39 B V T 3 S+ 0 0 102 1,-0.2 3,-0.1 -7,-0.2 -3,-0.0 -0.316 82.7 24.8 -68.3 151.2 -12.0 -8.0 -62.3 178 40 B G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.663 98.2 117.2 74.8 15.7 -11.9 -11.8 -63.0 179 41 B K < - 0 0 62 -3,-0.9 -1,-0.2 4,-0.0 2,-0.0 -0.957 58.2-135.7-126.4 130.9 -8.5 -12.3 -61.3 180 42 B S > - 0 0 61 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.278 40.5 -97.7 -71.8 169.4 -7.3 -14.3 -58.3 181 43 B D H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.897 125.7 48.8 -54.4 -47.3 -5.0 -12.7 -55.7 182 44 B Q H > S+ 0 0 120 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.876 109.1 52.9 -68.9 -36.1 -1.9 -14.3 -57.3 183 45 B E H >4 S+ 0 0 110 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.918 110.7 47.1 -57.9 -45.9 -2.9 -13.1 -60.7 184 46 B L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 6,-0.3 0.926 107.9 56.9 -61.7 -42.7 -3.3 -9.5 -59.4 185 47 B K H 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.722 107.7 48.1 -65.3 -22.9 0.1 -9.7 -57.7 186 48 B S T << S+ 0 0 110 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.422 85.6 111.0 -94.8 -2.6 1.7 -10.6 -61.0 187 49 B M S <> S- 0 0 46 -3,-1.8 4,-0.8 -4,-0.4 3,-0.4 -0.562 76.1-121.0 -76.7 146.7 0.1 -7.7 -63.0 188 50 B A T 4 S+ 0 0 95 1,-0.2 4,-0.4 -2,-0.2 -1,-0.1 0.776 105.8 28.7 -52.1 -38.9 2.5 -5.0 -64.0 189 51 B K T > S+ 0 0 107 2,-0.1 4,-3.0 1,-0.1 5,-0.4 0.532 98.8 82.8-107.7 -21.4 0.8 -2.1 -62.3 190 52 B F H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.3 5,-0.3 0.961 98.0 38.9 -57.1 -57.7 -0.9 -3.7 -59.2 191 53 B G H X S+ 0 0 1 -4,-0.8 4,-2.3 -7,-0.3 5,-0.2 0.936 118.6 50.0 -61.8 -40.7 2.1 -3.8 -56.8 192 54 B D H > S+ 0 0 75 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.922 113.5 42.1 -68.0 -47.1 3.3 -0.4 -58.0 193 55 B H H X S+ 0 0 81 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.911 114.9 51.3 -68.8 -37.6 -0.0 1.5 -57.6 194 56 B T H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.4 -1,-0.2 0.885 109.7 50.3 -67.0 -34.3 -0.8 -0.2 -54.3 195 57 B E H X S+ 0 0 57 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.941 109.3 51.4 -68.7 -40.4 2.6 0.7 -53.0 196 58 B K H X S+ 0 0 138 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 109.0 51.2 -61.5 -43.2 2.0 4.3 -54.1 197 59 B W H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.926 115.8 40.5 -54.9 -47.6 -1.4 4.4 -52.3 198 60 B F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.801 106.8 61.8 -80.5 -28.3 0.2 3.1 -49.0 199 61 B N H X S+ 0 0 59 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.953 112.9 39.4 -51.4 -49.2 3.3 5.2 -49.3 200 62 B L H X S+ 0 0 51 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.916 111.6 56.0 -76.1 -34.5 1.0 8.2 -49.1 201 63 B M H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.904 108.4 49.3 -62.9 -36.9 -1.3 6.7 -46.5 202 64 B M H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.866 109.2 51.3 -67.4 -37.9 1.7 6.2 -44.2 203 65 B E H X S+ 0 0 84 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.902 110.2 49.6 -61.7 -43.7 2.8 9.8 -44.8 204 66 B V H X S+ 0 0 2 -4,-2.6 4,-0.8 2,-0.2 10,-0.3 0.933 113.6 46.2 -62.6 -40.2 -0.8 11.0 -43.9 205 67 B A H < S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.2 6,-0.2 0.901 113.8 49.6 -64.7 -41.0 -0.7 8.7 -40.7 206 68 B D H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.1 50.0 -73.3 -30.9 2.8 10.0 -39.9 207 69 B R H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.631 94.7 101.5 -82.8 -8.7 1.9 13.7 -40.3 208 70 B A < - 0 0 11 -4,-0.8 2,-0.5 -3,-0.5 3,-0.1 -0.224 66.2-141.7 -68.4 158.7 -1.2 13.2 -38.0 209 71 B T B > S-B 212 0B 101 3,-1.8 3,-2.0 1,-0.1 -2,-0.1 -0.998 86.2 -13.4-119.2 122.2 -1.3 14.2 -34.3 210 72 B D T 3 S- 0 0 98 -2,-0.5 -1,-0.1 1,-0.3 -171,-0.0 0.892 130.5 -54.9 54.3 42.1 -3.1 11.7 -32.1 211 73 B C T 3 S+ 0 0 6 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.659 108.9 126.9 66.8 16.3 -4.5 10.0 -35.3 212 74 B V B < -B 209 0B 79 -3,-2.0 -3,-1.8 -7,-0.1 -1,-0.2 -0.921 53.8-141.6-104.1 113.5 -6.0 13.3 -36.5 213 75 B P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -8,-0.1 -0.265 24.4 -94.4 -73.1 163.8 -4.7 13.9 -40.2 214 76 B L > - 0 0 76 -10,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.534 26.2-129.0 -71.3 142.7 -3.8 17.3 -41.5 215 77 B A H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.832 109.9 56.8 -57.7 -36.9 -6.5 19.1 -43.4 216 78 B S H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 105.7 51.1 -68.2 -32.0 -4.1 19.7 -46.3 217 79 B D H > S+ 0 0 10 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.928 111.0 48.0 -68.4 -41.7 -3.6 15.9 -46.6 218 80 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 110.2 51.7 -61.1 -42.1 -7.4 15.4 -46.6 219 81 B N H X S+ 0 0 68 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.899 107.3 54.9 -59.4 -40.8 -7.8 18.2 -49.3 220 82 B T H X S+ 0 0 68 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.928 109.2 46.2 -59.6 -45.3 -5.2 16.4 -51.4 221 83 B L H < S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 113.8 47.3 -70.2 -32.5 -7.0 13.2 -51.3 222 84 B V H < S+ 0 0 31 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.1 44.9 -74.1 -37.8 -10.4 14.8 -52.1 223 85 B Q H < S+ 0 0 163 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.620 80.6 115.8 -85.6 -18.0 -8.9 16.8 -55.0 224 86 B M >< - 0 0 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