==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-APR-00 1EWA . COMPND 2 MOLECULE: DEHALOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMPHITRITE ORNATA; . AUTHOR M.W.LACOUNT,E.ZHANG,Y.P.CHEN,K.HAN,M.M.WHITTON,D.E.LINCOLN, . 274 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 77.0 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 . 9 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 58.0 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 0 1 1 0 1 1 2 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 62 0, 0.0 4,-2.5 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-156.8 30.5 39.0 -1.4 2 2 A F H > + 0 0 27 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.908 360.0 46.9 -55.5 -49.9 28.7 36.0 0.1 3 3 A K H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 112.4 49.7 -62.8 -38.8 27.1 34.9 -3.2 4 4 A Q H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 105.8 58.2 -66.3 -39.5 30.3 35.3 -5.2 5 5 A D H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.881 102.7 53.1 -56.8 -40.2 32.1 33.2 -2.5 6 6 A I H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.907 110.1 47.9 -63.3 -39.5 29.7 30.3 -3.2 7 7 A A H X S+ 0 0 49 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.880 111.3 51.2 -67.7 -38.2 30.5 30.5 -6.9 8 8 A T H X S+ 0 0 30 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.952 112.6 44.5 -64.2 -48.8 34.2 30.6 -6.1 9 9 A I H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 7,-0.3 0.902 114.0 49.7 -63.1 -41.9 34.1 27.5 -3.8 10 10 A R H >< S+ 0 0 98 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.843 99.1 67.0 -66.6 -34.0 31.9 25.6 -6.3 11 11 A G H 3< S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 124.2 13.6 -56.8 -32.0 34.2 26.3 -9.2 12 12 A D T + 0 0 18 -3,-1.3 4,-3.0 1,-0.2 5,-0.3 0.868 68.2 56.7 -52.0 -46.9 34.8 22.4 -4.9 14 14 A R H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 110.9 43.1 -53.6 -51.3 37.1 19.3 -4.7 15 15 A T H > S+ 0 0 56 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 117.1 44.2 -62.7 -51.4 40.2 21.4 -3.8 16 16 A Y H X S+ 0 0 27 -4,-2.1 4,-2.4 -7,-0.3 5,-0.3 0.894 112.4 53.2 -62.5 -40.7 38.5 23.7 -1.3 17 17 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.922 112.5 43.4 -61.0 -46.1 36.6 20.9 0.4 18 18 A Q H X S+ 0 0 25 -4,-2.0 4,-2.0 -5,-0.3 5,-0.2 0.945 115.6 46.6 -66.5 -49.2 39.7 18.9 1.0 19 19 A D H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.876 115.0 45.6 -61.9 -41.0 41.9 21.8 2.2 20 20 A I H X S+ 0 0 2 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.883 112.4 50.5 -71.6 -37.9 39.3 23.2 4.5 21 21 A F H X S+ 0 0 20 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.875 111.2 48.7 -67.6 -36.9 38.4 19.9 6.0 22 22 A L H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.896 108.1 54.3 -68.9 -39.4 42.1 19.1 6.7 23 23 A A H X S+ 0 0 35 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.880 110.7 48.4 -59.6 -36.7 42.5 22.5 8.2 24 24 A F H X S+ 0 0 10 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.961 111.9 46.6 -67.2 -54.1 39.6 21.5 10.5 25 25 A L H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 6,-0.2 0.863 115.8 45.1 -58.7 -40.3 41.0 18.1 11.5 26 26 A N H < S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 113.1 49.7 -78.1 -24.5 44.5 19.4 12.2 27 27 A K H < S+ 0 0 88 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.826 124.3 30.1 -80.4 -32.1 43.3 22.4 14.2 28 28 A Y S >< S+ 0 0 52 -4,-2.2 3,-2.3 -5,-0.1 4,-0.4 -0.694 71.6 179.3-127.6 76.6 41.0 20.3 16.3 29 29 A P G > S+ 0 0 87 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.762 76.9 66.8 -47.1 -35.0 42.7 16.9 16.5 30 30 A D G > S+ 0 0 80 1,-0.2 3,-1.0 2,-0.2 4,-0.1 0.760 89.8 66.2 -61.9 -25.2 39.9 15.5 18.7 31 31 A E G X S+ 0 0 8 -3,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.726 82.1 73.5 -70.8 -22.9 37.5 15.8 15.8 32 32 A R G X S+ 0 0 34 -3,-1.3 3,-2.1 -4,-0.4 6,-0.3 0.742 78.6 79.0 -63.4 -21.8 39.2 13.1 13.7 33 33 A R G < S+ 0 0 181 -3,-1.0 3,-0.3 -4,-0.3 -1,-0.3 0.699 83.7 61.8 -59.7 -21.4 37.8 10.5 16.1 34 34 A Y G < S+ 0 0 109 -3,-1.6 2,-0.4 1,-0.2 -1,-0.3 0.549 101.9 54.3 -82.6 -8.3 34.4 10.8 14.3 35 35 A F X> - 0 0 62 -3,-2.1 3,-2.6 -4,-0.2 4,-0.6 -0.706 68.6-177.9-125.8 77.9 36.0 9.5 11.1 36 36 A K G >4 S+ 0 0 162 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.746 79.1 57.1 -50.6 -30.3 37.7 6.3 12.1 37 37 A N G 34 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.440 100.7 57.9 -84.7 4.0 39.2 5.7 8.6 38 38 A Y G X4 S+ 0 0 9 -3,-2.6 3,-1.0 -6,-0.3 -1,-0.2 0.487 81.5 113.7-103.6 -9.8 41.1 9.0 8.7 39 39 A V T << S+ 0 0 79 -3,-0.7 3,-0.1 -4,-0.6 -6,-0.0 -0.343 78.9 14.2 -64.4 140.6 42.9 8.1 11.8 40 40 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.783 99.2 119.6 66.7 29.3 46.7 7.7 11.5 41 41 A K < - 0 0 64 -3,-1.0 -1,-0.2 4,-0.0 2,-0.0 -0.985 55.7-134.3-130.9 138.0 47.0 9.3 8.1 42 42 A S > - 0 0 59 -2,-0.4 4,-1.8 -3,-0.1 5,-0.2 -0.224 37.2 -97.7 -76.5 173.9 48.9 12.4 7.0 43 43 A D H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 123.6 47.6 -59.9 -46.5 47.4 15.1 4.7 44 44 A Q H > S+ 0 0 129 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.834 108.3 55.0 -65.9 -34.4 48.9 13.6 1.5 45 45 A E H >> S+ 0 0 101 1,-0.2 4,-0.6 2,-0.2 3,-0.6 0.902 110.0 46.7 -65.6 -40.2 47.7 10.1 2.4 46 46 A L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 7,-0.3 0.899 105.6 58.1 -68.1 -41.0 44.2 11.3 2.8 47 47 A K H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.687 106.6 51.7 -63.0 -15.4 44.3 13.3 -0.5 48 48 A S H << S+ 0 0 96 -4,-0.6 2,-0.5 -3,-0.6 -1,-0.3 0.637 87.5 97.9 -93.2 -18.4 45.1 10.0 -2.1 49 49 A M S+ 0 0 72 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.928 96.6 52.1 -54.5 -48.2 39.3 8.0 -3.0 51 51 A K H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.794 103.9 58.8 -60.3 -31.5 36.7 8.0 -0.2 52 52 A F H > S+ 0 0 0 -3,-0.5 4,-2.5 -6,-0.3 5,-0.3 0.966 109.1 41.5 -63.9 -54.3 38.2 11.1 1.4 53 53 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -7,-0.3 -2,-0.2 0.905 116.8 48.9 -60.4 -43.0 37.8 13.3 -1.7 54 54 A D H X S+ 0 0 71 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.940 114.6 43.8 -63.1 -49.6 34.3 12.0 -2.4 55 55 A H H X S+ 0 0 72 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 114.2 47.6 -63.4 -49.8 33.0 12.4 1.1 56 56 A T H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.888 111.2 52.9 -61.0 -37.8 34.5 15.9 1.8 57 57 A E H X S+ 0 0 65 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.914 108.8 49.5 -63.5 -41.0 33.1 17.0 -1.6 58 58 A K H X S+ 0 0 149 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.845 109.2 52.7 -66.6 -33.6 29.6 15.8 -0.6 59 59 A V H X S+ 0 0 82 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.962 114.3 41.2 -65.3 -51.4 29.9 17.6 2.8 60 60 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.759 107.7 61.4 -70.3 -24.4 30.7 20.9 1.1 61 61 A N H X S+ 0 0 70 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.957 109.6 41.7 -65.1 -47.9 28.2 20.4 -1.7 62 62 A L H X S+ 0 0 48 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.884 111.1 56.4 -65.6 -38.9 25.4 20.4 0.8 63 63 A M H X S+ 0 0 20 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.922 107.9 48.8 -59.1 -41.9 26.9 23.2 2.8 64 64 A M H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.860 109.1 52.6 -66.7 -33.9 26.9 25.3 -0.3 65 65 A E H X S+ 0 0 69 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.929 111.1 46.4 -66.4 -43.9 23.2 24.4 -1.0 66 66 A V H X S+ 0 0 4 -4,-2.5 4,-0.9 1,-0.2 10,-0.3 0.910 113.2 49.9 -63.6 -42.5 22.3 25.5 2.5 67 67 A A H < S+ 0 0 0 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.864 110.5 49.5 -65.1 -35.9 24.3 28.7 2.1 68 68 A D H < S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 110.2 51.2 -73.7 -28.0 22.6 29.4 -1.3 69 69 A R H < S+ 0 0 107 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.632 91.9 102.6 -82.0 -16.6 19.1 28.9 0.2 70 70 A A < - 0 0 13 -4,-0.9 2,-0.5 -3,-0.3 3,-0.1 -0.232 65.9-137.5 -68.8 156.6 19.8 31.2 3.1 71 71 A T B > S-A 74 0A 43 3,-2.1 3,-1.7 1,-0.2 -2,-0.1 -0.977 84.7 -16.5-117.1 120.8 18.5 34.8 3.4 72 72 A D T 3 S- 0 0 49 -2,-0.5 -1,-0.2 1,-0.3 140,-0.1 0.881 129.5 -54.3 52.0 42.0 21.0 37.4 4.7 73 73 A C T 3 S+ 0 0 7 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.627 110.8 123.9 68.1 17.1 23.1 34.5 6.0 74 74 A V B < -A 71 0A 23 -3,-1.7 -3,-2.1 52,-0.1 -1,-0.2 -0.936 56.8-136.0-109.1 117.5 20.3 33.0 8.0 75 75 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.288 24.5 -98.4 -71.1 156.8 19.6 29.3 7.0 76 76 A L > - 0 0 73 -10,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.435 26.4-125.4 -70.5 147.7 16.2 27.9 6.5 77 77 A A H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.857 111.5 57.9 -62.4 -34.6 14.8 26.0 9.5 78 78 A S H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 104.9 49.6 -64.7 -36.0 14.2 23.0 7.2 79 79 A D H > S+ 0 0 11 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.892 109.8 50.9 -70.9 -38.2 17.9 22.9 6.3 80 80 A A H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 3,-0.2 0.930 110.7 49.0 -63.4 -44.7 18.9 23.0 10.0 81 81 A N H X S+ 0 0 63 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.929 106.7 56.5 -60.2 -46.2 16.5 20.2 10.8 82 82 A T H < S+ 0 0 64 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.849 109.4 45.8 -53.3 -39.6 17.9 18.1 7.9 83 83 A L H < S+ 0 0 16 -4,-1.6 3,-0.4 -3,-0.2 -1,-0.2 0.837 112.6 51.1 -74.6 -33.7 21.4 18.4 9.3 84 84 A V H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.9 43.0 -72.7 -39.7 20.3 17.6 12.9 85 85 A Q S < S+ 0 0 136 -4,-2.8 2,-0.2 -5,-0.1 -1,-0.2 0.389 80.0 118.2 -91.9 7.8 18.4 14.4 12.0 86 86 A M > - 0 0 51 -3,-0.4 3,-2.0 -4,-0.4 4,-0.3 -0.561 68.9-132.7 -68.6 134.0 20.9 12.9 9.6 87 87 A K G > S+ 0 0 178 1,-0.3 3,-1.5 -2,-0.2 4,-0.3 0.842 105.0 63.9 -59.0 -33.0 22.0 9.6 11.2 88 88 A Q G 3 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.604 106.0 46.0 -67.1 -9.3 25.6 10.5 10.6 89 89 A H G X S+ 0 0 39 -3,-2.0 3,-2.3 1,-0.1 -1,-0.3 0.360 76.5 112.5-112.9 2.4 25.1 13.4 12.9 90 90 A S T < S+ 0 0 97 -3,-1.5 -2,-0.1 -4,-0.3 -1,-0.1 0.798 82.2 41.8 -45.4 -41.8 23.3 11.6 15.7 91 91 A S T 3 S+ 0 0 82 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.073 95.1 108.5-100.1 27.5 26.1 11.9 18.2 92 92 A L < - 0 0 31 -3,-2.3 45,-0.4 -8,-0.1 2,-0.3 -0.701 47.7-159.5-105.4 155.1 27.1 15.5 17.5 93 93 A T >> - 0 0 58 -2,-0.3 3,-1.3 44,-0.2 4,-0.8 -0.782 39.8-100.0-122.4 167.8 26.6 18.7 19.4 94 94 A T H 3> S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.3 3,-0.5 0.812 116.9 71.5 -59.3 -28.3 26.7 22.4 18.3 95 95 A G H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.848 92.8 54.3 -55.9 -37.2 30.2 22.6 19.5 96 96 A N H <> S+ 0 0 15 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.866 109.8 47.3 -66.1 -35.9 31.4 20.4 16.7 97 97 A F H X S+ 0 0 22 -4,-0.8 4,-1.8 -3,-0.5 -2,-0.2 0.851 106.9 56.0 -74.7 -35.3 29.8 22.7 14.1 98 98 A E H X S+ 0 0 106 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 106.4 51.7 -62.3 -41.8 31.3 25.8 15.7 99 99 A K H X S+ 0 0 75 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.863 105.7 54.9 -63.3 -38.1 34.8 24.4 15.4 100 100 A L H X S+ 0 0 25 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.939 110.7 44.7 -61.7 -47.3 34.3 23.7 11.7 101 101 A F H X S+ 0 0 10 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.816 108.4 56.3 -69.1 -30.8 33.3 27.2 10.9 102 102 A V H X S+ 0 0 59 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.962 111.6 44.4 -63.7 -46.8 36.1 28.7 13.0 103 103 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.872 113.8 51.1 -63.1 -37.0 38.5 26.7 10.8 104 104 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 112.4 44.9 -66.8 -44.6 36.6 27.7 7.7 105 105 A V H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.919 113.3 50.0 -66.0 -42.8 36.8 31.4 8.5 106 106 A E H X S+ 0 0 84 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.883 109.6 52.8 -63.6 -37.0 40.5 31.2 9.5 107 107 A Y H X S+ 0 0 53 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.940 109.5 47.8 -62.7 -48.9 41.2 29.4 6.3 108 108 A M H < S+ 0 0 5 -4,-2.2 3,-0.4 1,-0.2 7,-0.3 0.926 111.8 49.5 -59.0 -46.5 39.5 32.1 4.2 109 109 A R H < S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.2 47.4 -61.4 -37.4 41.3 34.9 6.1 110 110 A A H < S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.675 98.8 84.0 -78.6 -19.3 44.7 33.2 5.6 111 111 A S S < S- 0 0 34 -4,-1.4 4,-0.0 -3,-0.4 -3,-0.0 -0.122 84.7-120.6 -74.7 179.5 44.2 32.5 1.9 112 112 A G S S+ 0 0 84 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.811 80.7 101.1 -89.6 -33.5 44.9 35.0 -0.9 113 113 A Q S S- 0 0 106 1,-0.1 2,-0.9 0, 0.0 -2,-0.0 0.109 81.6-114.7 -47.2 161.1 41.4 35.1 -2.2 114 114 A S + 0 0 110 2,-0.1 2,-0.1 -113,-0.0 -1,-0.1 -0.567 48.6 168.3-101.8 67.7 38.9 37.9 -1.4 115 115 A F - 0 0 22 -2,-0.9 2,-1.5 -7,-0.3 3,-0.2 -0.466 45.0-121.0 -78.4 153.4 36.3 35.9 0.6 116 116 A D >> + 0 0 46 -115,-0.3 4,-1.5 1,-0.2 3,-1.1 -0.564 42.3 171.5 -92.1 69.0 33.7 37.7 2.6 117 117 A S H 3> + 0 0 21 -2,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.776 68.7 61.5 -51.4 -34.7 34.9 36.1 5.8 118 118 A Q H 3> S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.884 104.5 48.1 -63.2 -39.1 32.6 38.3 8.0 119 119 A S H <> S+ 0 0 16 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.877 110.8 50.9 -68.8 -37.6 29.5 36.9 6.3 120 120 A W H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.868 108.6 51.4 -68.2 -35.4 30.7 33.3 6.7 121 121 A D H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.940 113.5 45.6 -64.0 -44.9 31.4 34.0 10.4 122 122 A R H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.890 112.0 51.8 -62.2 -43.4 27.8 35.3 10.6 123 123 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.912 109.9 48.5 -61.9 -44.4 26.5 32.3 8.6 124 124 A G H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.915 112.2 48.8 -63.2 -43.0 28.2 29.8 10.9 125 125 A K H X S+ 0 0 133 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.905 113.2 46.5 -63.9 -41.9 26.8 31.5 14.0 126 126 A N H X S+ 0 0 20 -4,-2.5 4,-2.0 -53,-0.2 -1,-0.2 0.860 111.4 52.3 -69.5 -33.7 23.3 31.6 12.6 127 127 A L H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.897 108.6 50.4 -68.7 -39.0 23.5 28.0 11.5 128 128 A V H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.875 110.2 49.7 -66.0 -37.1 24.7 27.0 15.0 129 129 A S H X S+ 0 0 71 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.892 110.8 51.5 -67.1 -37.2 21.7 28.9 16.5 130 130 A A H X S+ 0 0 14 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.840 107.0 51.3 -67.6 -36.6 19.4 27.1 14.1 131 131 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 3,-0.2 0.928 109.1 53.0 -67.1 -41.5 20.8 23.6 15.0 132 132 A S H ><5S+ 0 0 69 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.955 110.0 45.4 -56.4 -54.8 20.1 24.5 18.6 133 133 A S H 3<5S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.729 106.8 62.5 -63.1 -20.7 16.5 25.4 18.0 134 134 A A T 3<5S- 0 0 31 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.418 130.3 -92.2 -84.5 0.7 16.2 22.3 15.9 135 135 A G T < 5S+ 0 0 65 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.561 78.1 140.8 103.9 8.2 16.9 20.2 18.9 136 136 A M < 0 0 13 -5,-2.3 -1,-0.3 1,-0.1 -43,-0.1 -0.724 360.0 360.0 -89.7 133.6 20.7 19.7 18.9 137 137 A K 0 0 201 -2,-0.4 -44,-0.2 -45,-0.4 -1,-0.1 0.834 360.0 360.0 -71.1 360.0 22.6 19.9 22.2 138 !* 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 60 0, 0.0 4,-2.5 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0-159.6 21.1 49.1 17.0 140 2 B F H > + 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.919 360.0 47.4 -54.6 -51.1 18.1 47.1 15.7 141 3 B K H > S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 113.0 48.3 -61.9 -39.0 17.4 45.5 19.1 142 4 B Q H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 106.3 58.8 -68.9 -35.4 17.7 48.9 20.9 143 5 B D H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.882 101.6 54.4 -60.2 -39.7 15.4 50.4 18.3 144 6 B I H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.937 109.6 47.7 -58.3 -46.5 12.7 47.9 19.2 145 7 B A H X S+ 0 0 53 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.872 110.8 51.5 -63.1 -39.4 13.0 49.1 22.8 146 8 B T H X S+ 0 0 38 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.948 112.2 44.9 -63.6 -49.7 12.9 52.8 21.9 147 9 B I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 7,-0.3 0.920 111.5 53.0 -61.3 -44.5 9.7 52.3 19.8 148 10 B R H >< S+ 0 0 100 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.828 99.1 65.8 -60.6 -30.9 8.0 50.2 22.5 149 11 B G H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.697 124.2 11.8 -65.6 -21.1 8.7 52.9 25.0 150 12 B D T + 0 0 16 -3,-1.0 4,-3.5 1,-0.2 5,-0.3 0.860 65.5 54.8 -53.2 -50.0 4.6 53.0 20.9 152 14 B R H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 112.3 45.0 -53.0 -47.3 1.3 54.9 20.4 153 15 B T H > S+ 0 0 59 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.960 117.1 43.2 -63.5 -53.5 3.1 58.1 19.3 154 16 B Y H X S+ 0 0 23 -4,-2.1 4,-2.3 -7,-0.3 5,-0.3 0.900 112.6 53.9 -59.9 -42.6 5.5 56.3 17.0 155 17 B A H X S+ 0 0 0 -4,-3.5 4,-2.2 -5,-0.2 -1,-0.2 0.894 112.2 43.6 -61.8 -41.1 2.8 54.1 15.6 156 18 B Q H X S+ 0 0 24 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.936 114.3 48.1 -71.4 -46.0 0.6 57.0 14.6 157 19 B D H X S+ 0 0 45 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.888 116.4 42.7 -63.9 -38.9 3.3 59.3 13.2 158 20 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.923 113.6 49.5 -75.3 -43.3 4.8 56.5 11.1 159 21 B F H X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.893 114.7 49.1 -62.5 -32.9 1.4 55.1 9.8 160 22 B L H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.919 109.0 50.8 -68.3 -40.5 0.5 58.8 9.0 161 23 B A H X S+ 0 0 34 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.890 111.9 49.2 -61.2 -39.9 3.8 59.3 7.1 162 24 B F H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 3,-0.3 0.954 112.1 45.7 -64.3 -54.4 3.0 56.1 5.2 163 25 B L H < S+ 0 0 0 -4,-2.7 7,-0.3 1,-0.2 -2,-0.2 0.829 114.3 48.4 -61.8 -34.6 -0.6 57.2 4.2 164 26 B N H < S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 112.3 47.4 -79.3 -23.8 0.5 60.7 3.2 165 27 B K H < S+ 0 0 87 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.818 125.1 32.2 -82.9 -31.4 3.4 59.5 1.1 166 28 B Y >< + 0 0 52 -4,-2.1 3,-1.9 -5,-0.2 4,-0.4 -0.682 68.1 175.2-126.9 77.4 1.2 56.9 -0.6 167 29 B P G > S+ 0 0 83 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.789 77.7 64.6 -50.2 -34.9 -2.4 58.4 -0.8 168 30 B D G > S+ 0 0 81 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.780 89.2 66.6 -62.7 -29.0 -3.6 55.4 -2.7 169 31 B E G X S+ 0 0 8 -3,-1.9 3,-1.5 1,-0.3 4,-0.3 0.692 83.3 74.6 -66.9 -18.7 -2.9 53.0 0.2 170 32 B R G X S+ 0 0 28 -3,-1.3 3,-0.9 -4,-0.4 6,-0.3 0.613 76.5 80.0 -70.1 -10.2 -5.7 54.8 2.2 171 33 B R G < S+ 0 0 182 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.731 85.6 57.6 -69.0 -22.4 -8.2 52.9 -0.1 172 34 B Y G < S+ 0 0 111 -3,-1.5 2,-0.7 1,-0.2 -1,-0.3 0.638 101.1 62.3 -81.4 -15.7 -7.7 49.8 2.1 173 35 B F S X S- 0 0 66 -3,-0.9 3,-1.8 -4,-0.3 4,-0.4 -0.831 71.4-167.5-116.1 91.7 -8.8 51.8 5.1 174 36 B K G > S+ 0 0 132 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.850 80.6 47.4 -40.6 -60.4 -12.4 52.9 4.5 175 37 B N G 3 S+ 0 0 41 1,-0.2 -1,-0.3 3,-0.0 15,-0.1 0.266 98.7 70.7 -75.9 13.3 -12.8 55.5 7.4 176 38 B Y G X + 0 0 6 -3,-1.8 3,-1.0 -6,-0.3 -1,-0.2 0.620 69.7 106.8-104.2 -14.1 -9.5 57.4 6.8 177 39 B V T < S+ 0 0 89 -3,-1.0 3,-0.1 -4,-0.4 -6,-0.0 -0.321 81.7 16.6 -67.3 146.1 -10.3 59.1 3.5 178 40 B G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.674 98.4 119.3 68.0 20.4 -10.9 62.9 3.4 179 41 B K < - 0 0 74 -3,-1.0 -1,-0.2 4,-0.0 2,-0.1 -0.913 58.3-130.6-121.0 146.1 -9.4 63.5 6.9 180 42 B S > - 0 0 61 -2,-0.4 4,-2.1 -3,-0.1 3,-0.2 -0.368 37.2-100.8 -82.5 168.8 -6.5 65.6 8.1 181 43 B D H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.908 122.6 51.9 -57.1 -45.2 -3.8 64.1 10.3 182 44 B Q H > S+ 0 0 130 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.841 108.1 51.4 -62.4 -34.6 -5.3 65.7 13.4 183 45 B E H >4 S+ 0 0 102 -3,-0.2 3,-1.0 2,-0.2 4,-0.5 0.925 109.3 49.8 -68.8 -43.4 -8.7 64.3 12.7 184 46 B L H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.3 7,-0.3 0.899 106.8 56.3 -61.7 -39.2 -7.3 60.8 12.3 185 47 B K H 3< S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.675 104.6 53.0 -67.6 -16.3 -5.5 61.2 15.6 186 48 B S T << S+ 0 0 111 -3,-1.0 2,-0.6 -4,-0.6 -1,-0.3 0.502 86.0 97.6 -95.0 -6.3 -8.8 62.0 17.4 187 49 B M <> - 0 0 43 -3,-1.3 4,-1.7 -4,-0.5 3,-0.5 -0.753 66.5-152.4 -83.1 118.7 -10.5 58.8 16.0 188 50 B A H > S+ 0 0 69 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.897 95.6 55.5 -57.9 -40.5 -10.3 56.2 18.7 189 51 B K H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.827 103.4 55.0 -62.5 -34.7 -10.3 53.5 16.1 190 52 B F H > S+ 0 0 0 -3,-0.5 4,-2.3 -6,-0.3 5,-0.3 0.966 112.3 40.8 -64.9 -52.2 -7.3 55.0 14.3 191 53 B G H X S+ 0 0 1 -4,-1.7 4,-2.0 -7,-0.3 -2,-0.2 0.896 114.9 52.0 -63.3 -41.9 -5.1 55.0 17.4 192 54 B D H X S+ 0 0 69 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.918 114.8 40.6 -62.7 -45.0 -6.2 51.5 18.6 193 55 B H H X S+ 0 0 86 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.879 113.4 51.6 -75.1 -36.3 -5.6 49.8 15.3 194 56 B T H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.911 110.6 50.8 -67.0 -37.9 -2.3 51.5 14.4 195 57 B E H X S+ 0 0 55 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.934 109.6 49.1 -63.2 -45.2 -1.0 50.6 17.9 196 58 B K H X S+ 0 0 140 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.869 108.8 54.2 -62.5 -35.6 -2.0 46.9 17.4 197 59 B V H X S+ 0 0 73 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 114.2 40.7 -62.9 -43.7 -0.3 46.9 14.0 198 60 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.785 107.2 61.7 -77.9 -26.5 2.9 48.1 15.6 199 61 B N H X S+ 0 0 62 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.942 112.3 39.3 -61.3 -46.8 2.6 45.9 18.7 200 62 B L H X S+ 0 0 54 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.896 111.8 56.6 -70.5 -39.9 2.8 42.9 16.4 201 63 B M H X S+ 0 0 20 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 107.5 49.0 -59.8 -41.5 5.4 44.4 14.1 202 64 B M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.857 109.8 52.1 -67.5 -32.4 7.8 44.9 17.1 203 65 B E H X S+ 0 0 84 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.920 109.4 49.0 -68.7 -40.6 7.2 41.3 18.1 204 66 B V H X S+ 0 0 4 -4,-2.5 4,-0.7 1,-0.2 10,-0.3 0.912 114.2 46.2 -63.1 -42.4 8.0 40.0 14.6 205 67 B A H >< S+ 0 0 0 -4,-2.2 3,-0.6 -5,-0.2 -1,-0.2 0.889 111.5 51.8 -66.2 -39.1 11.2 42.1 14.7 206 68 B D H 3< S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.848 110.3 49.3 -66.5 -33.5 12.0 41.0 18.2 207 69 B R H 3< S+ 0 0 101 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.578 93.2 103.3 -82.3 -12.1 11.6 37.3 17.1 208 70 B A << - 0 0 14 -4,-0.7 2,-0.5 -3,-0.6 3,-0.1 -0.276 63.9-140.1 -72.4 157.4 13.9 37.8 14.0 209 71 B T B > S-B 212 0B 61 3,-2.3 3,-1.4 1,-0.2 -2,-0.1 -0.986 85.1 -14.3-117.9 120.0 17.5 36.6 13.7 210 72 B D T 3 S- 0 0 52 -2,-0.5 -1,-0.2 1,-0.3 -136,-0.1 0.882 130.1 -53.9 55.9 39.9 19.8 39.1 12.0 211 73 B C T 3 S+ 0 0 7 -6,-0.2 -1,-0.3 1,-0.2 53,-0.2 0.692 112.1 123.8 67.6 19.0 16.8 41.0 10.7 212 74 B V B < -B 209 0B 19 -3,-1.4 -3,-2.3 -7,-0.1 -1,-0.2 -0.952 56.7-136.5-113.8 115.4 15.3 37.8 9.2 213 75 B P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.232 25.3 -95.7 -68.8 155.7 11.8 37.1 10.4 214 76 B L > - 0 0 72 -10,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.421 28.6-124.7 -67.9 145.0 10.5 33.7 11.4 215 77 B A H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.895 111.3 57.0 -58.1 -38.7 8.7 31.8 8.7 216 78 B S H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 104.1 50.8 -62.2 -37.4 5.7 31.4 11.1 217 79 B D H > S+ 0 0 13 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.886 110.3 49.6 -68.2 -38.1 5.4 35.2 11.6 218 80 B A H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.927 110.1 52.2 -65.0 -41.8 5.4 35.7 7.8 219 81 B N H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 107.2 51.7 -60.3 -43.3 2.8 33.0 7.5 220 82 B T H X S+ 0 0 71 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.922 108.5 50.9 -60.0 -46.1 0.5 34.7 10.1 221 83 B L H < S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.831 113.0 45.9 -62.1 -34.1 0.7 38.0 8.2 222 84 B V H < S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.8 47.1 -78.2 -37.2 -0.3 36.4 4.9 223 85 B Q H < S+ 0 0 150 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.649 80.9 114.6 -80.7 -15.9 -3.1 34.3 6.3 224 86 B M >< - 0 0 53 -4,-1.5 3,-2.4 -5,-0.2 4,-0.3 -0.364 69.3-136.0 -56.4 126.9 -4.7 37.2 8.3 225 87 B K G > S+ 0 0 185 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.840 103.2 64.5 -55.9 -33.6 -8.1 37.8 6.7 226 88 B Q G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.520 105.9 45.7 -68.3 -3.4 -7.4 41.6 6.9 227 89 B H G X S+ 0 0 41 -3,-2.4 3,-2.0 -5,-0.1 -1,-0.3 0.311 76.4 108.0-120.1 5.5 -4.5 41.0 4.4 228 90 B S T < S+ 0 0 101 -3,-1.6 -2,-0.1 -4,-0.3 -3,-0.1 0.728 83.8 46.2 -57.0 -24.6 -6.3 38.7 1.9 229 91 B S T 3 S+ 0 0 86 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.271 95.6 99.0-104.4 13.6 -6.3 41.5 -0.7 230 92 B L < - 0 0 34 -3,-2.0 45,-0.4 -8,-0.1 2,-0.3 -0.589 50.2-160.2-101.4 162.1 -2.7 42.7 -0.3 231 93 B T >> - 0 0 54 44,-0.2 3,-0.9 -2,-0.2 4,-0.8 -0.766 42.6 -94.4-127.5 171.9 0.5 42.1 -2.2 232 94 B T H 3> S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.691 117.6 72.2 -64.6 -18.1 4.1 42.5 -1.2 233 95 B G H 3> S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 92.2 54.5 -63.3 -41.3 4.0 46.0 -2.8 234 96 B N H <> S+ 0 0 13 -3,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.902 111.2 45.0 -59.0 -43.1 1.9 47.3 0.0 235 97 B F H X S+ 0 0 20 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.877 109.0 56.1 -69.7 -38.5 4.4 46.1 2.6 236 98 B E H X S+ 0 0 104 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.929 107.6 49.1 -58.9 -45.4 7.3 47.4 0.7 237 99 B K H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 106.2 56.8 -62.3 -42.0 5.8 50.9 0.7 238 100 B L H X S+ 0 0 22 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.908 110.0 44.4 -56.9 -43.4 5.2 50.8 4.4 239 101 B F H X S+ 0 0 10 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.819 107.6 57.1 -73.8 -29.8 8.9 50.1 5.1 240 102 B V H X S+ 0 0 50 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.947 111.8 44.3 -62.5 -45.1 10.1 52.8 2.7 241 103 B A H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.911 113.4 50.7 -64.1 -43.1 8.0 55.2 4.7 242 104 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.919 112.2 45.6 -62.7 -44.9 9.2 53.8 8.0 243 105 B V H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.909 113.1 50.6 -65.2 -41.9 12.9 54.0 7.0 244 106 B E H X S+ 0 0 85 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.911 108.5 53.1 -62.2 -41.2 12.4 57.6 5.6 245 107 B Y H X S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.935 109.8 47.8 -58.4 -48.1 10.7 58.5 8.9 246 108 B M H < S+ 0 0 5 -4,-2.1 7,-0.3 1,-0.2 -1,-0.2 0.898 111.7 49.0 -61.7 -42.9 13.7 57.3 10.9 247 109 B R H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 113.0 48.1 -65.6 -36.4 16.3 59.0 8.8 248 110 B A H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.786 100.1 81.3 -75.0 -28.6 14.4 62.3 9.0 249 111 B S S < S- 0 0 38 -4,-1.8 -3,-0.0 -5,-0.2 4,-0.0 0.010 83.9-122.2 -68.1-178.6 13.9 62.1 12.8 250 112 B G S S+ 0 0 83 2,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.530 77.4 102.7-104.1 -9.2 16.6 63.2 15.3 251 113 B Q S S- 0 0 111 1,-0.1 2,-0.9 -5,-0.1 -2,-0.0 -0.207 82.5-110.8 -69.4 164.2 16.8 59.9 17.1 252 114 B S + 0 0 118 2,-0.1 -1,-0.1 -113,-0.0 2,-0.1 -0.435 53.0 165.0 -95.9 59.0 19.7 57.4 16.5 253 115 B F - 0 0 24 -2,-0.9 2,-1.4 -7,-0.3 3,-0.2 -0.412 45.8-121.9 -73.4 152.4 17.8 54.7 14.8 254 116 B D >> + 0 0 48 -115,-0.2 4,-1.5 1,-0.2 3,-0.6 -0.668 39.3 173.7 -93.4 76.4 19.6 52.0 12.8 255 117 B S H 3> S+ 0 0 26 -2,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.807 71.0 59.7 -55.5 -36.7 17.8 52.8 9.5 256 118 B Q H 3> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 104.9 49.7 -61.6 -41.2 20.0 50.4 7.5 257 119 B S H <> S+ 0 0 14 -3,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.869 109.2 51.2 -66.5 -38.0 18.8 47.4 9.6 258 120 B W H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.839 108.4 52.5 -68.8 -30.2 15.2 48.4 9.3 259 121 B D H X S+ 0 0 58 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.943 111.9 45.8 -67.8 -46.4 15.6 48.6 5.5 260 122 B R H X S+ 0 0 72 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.918 112.2 51.3 -59.8 -46.7 17.1 45.0 5.6 261 123 B F H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.901 109.2 51.0 -58.6 -43.0 14.3 43.8 7.8 262 124 B G H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 112.4 45.4 -62.8 -41.2 11.7 45.2 5.5 263 125 B K H X S+ 0 0 122 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.880 113.7 48.7 -70.3 -39.6 13.3 43.5 2.4 264 126 B N H X S+ 0 0 21 -4,-2.6 4,-2.4 -53,-0.2 -2,-0.2 0.839 111.1 51.2 -70.3 -32.2 13.7 40.2 4.2 265 127 B L H X S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.916 109.7 48.7 -69.9 -43.3 10.1 40.4 5.4 266 128 B V H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 111.4 51.6 -61.9 -40.5 8.8 41.1 1.9 267 129 B S H X S+ 0 0 53 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.947 110.8 47.5 -59.5 -48.1 11.0 38.1 0.8 268 130 B A H X S+ 0 0 19 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.848 108.5 54.7 -63.0 -36.0 9.4 35.9 3.5 269 131 B L H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 -1,-0.2 0.911 107.3 50.4 -64.4 -41.9 5.9 37.1 2.6 270 132 B S H ><5S+ 0 0 70 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.906 109.7 50.0 -61.7 -43.7 6.4 36.0 -1.1 271 133 B S H 3<5S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 104.8 59.6 -65.0 -29.3 7.6 32.6 0.0 272 134 B A T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.365 130.7 -91.9 -81.2 4.2 4.6 32.3 2.2 273 135 B G T < 5S+ 0 0 64 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.424 78.1 141.0 104.3 -2.8 2.3 32.6 -0.8 274 136 B M < 0 0 13 -5,-2.4 -1,-0.3 -6,-0.1 -43,-0.1 -0.568 360.0 360.0 -78.5 137.8 1.7 36.4 -1.0 275 137 B K 0 0 200 -45,-0.4 -44,-0.2 -2,-0.3 -1,-0.1 0.860 360.0 360.0 -72.0 360.0 1.6 37.9 -4.5