==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-APR-10 3MKU . COMPND 2 MOLECULE: MULTI ANTIMICROBIAL EXTRUSION PROTEIN (NA(+)/DRUG . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR X.HE,P.SZEWCZYK,A.KARYAKIN,M.EVIN,W.-X.HONG,Q.ZHANG,G.CHANG . 920 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 830 90.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 81 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 3 0 2 1 2 2 3 3 4 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A E >> 0 0 189 0, 0.0 4,-1.0 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0 -40.5 61.6 34.1 45.2 2 3 A N T 45 - 0 0 143 1,-0.3 2,-1.4 2,-0.2 0, 0.0 -0.323 360.0 -23.7 -57.3 123.1 62.2 31.1 43.0 3 4 A S T >>S+ 0 0 48 1,-0.1 4,-1.2 -2,-0.1 5,-0.5 0.093 121.7 96.4 63.9 -28.2 59.9 28.3 44.1 4 5 A V H >5S+ 0 0 52 -2,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.981 96.1 25.7 -52.4 -71.6 59.8 30.0 47.5 5 6 A H H X>S+ 0 0 114 -4,-1.0 4,-1.5 2,-0.2 5,-0.6 0.737 119.9 66.1 -68.0 -23.3 56.6 31.9 47.0 6 7 A R H >X S+ 0 0 35 -4,-2.3 4,-1.9 -5,-0.4 3,-0.5 0.934 112.3 47.0 -40.7 -75.6 48.1 26.6 50.4 13 14 A N H 3X S+ 0 0 17 -4,-2.2 4,-1.5 1,-0.2 5,-0.3 0.840 109.4 54.1 -36.7 -55.7 45.6 27.4 47.6 14 15 A L H >X S+ 0 0 35 -4,-2.6 4,-4.5 -5,-0.3 3,-0.6 0.922 112.0 44.1 -48.5 -55.3 45.4 23.9 46.3 15 16 A I H S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.928 113.1 38.7 -45.4 -82.7 37.0 20.7 50.1 21 22 A V H X S+ 0 0 15 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.736 112.9 57.9 -38.3 -40.5 36.7 19.4 46.6 22 23 A L H >X S+ 0 0 39 -4,-2.6 3,-2.1 -5,-0.4 4,-1.2 0.991 103.4 49.8 -59.1 -62.9 37.8 15.9 47.5 23 24 A I H 3X S+ 0 0 41 -4,-2.0 4,-1.0 -3,-0.4 3,-0.3 0.859 101.9 66.4 -40.6 -45.0 35.2 15.3 50.2 24 25 A A H >X S+ 0 0 30 -4,-1.5 4,-1.4 -5,-0.3 3,-1.2 0.870 97.0 52.7 -46.4 -44.7 32.6 16.4 47.6 25 26 A S H S+ 0 0 14 -3,-2.1 4,-2.1 -4,-1.2 5,-0.6 0.938 100.7 60.8 -58.4 -45.6 33.5 13.4 45.5 26 27 A V H 3<>S+ 0 0 56 -4,-1.2 5,-0.8 -3,-0.3 -1,-0.3 0.740 105.7 51.9 -51.9 -24.5 32.8 11.2 48.6 27 28 A A H S+ 0 0 13 -3,-1.2 4,-1.6 -4,-1.0 5,-1.1 0.912 113.0 39.1 -72.9 -83.6 29.4 12.8 48.2 28 29 A Q H X5S+ 0 0 125 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.787 135.5 22.5 -28.0 -74.3 28.8 11.9 44.6 29 30 A T H X>S+ 0 0 33 -4,-2.1 4,-1.3 2,-0.2 5,-0.6 0.994 126.0 51.7 -62.1 -64.6 30.4 8.5 44.8 30 31 A G H >S+ 0 0 137 -4,-1.3 4,-1.4 3,-0.2 5,-1.2 0.870 118.0 73.1 -61.2 -37.4 26.5 3.5 45.8 34 35 A V H XS+ 0 0 5 -4,-0.8 5,-0.8 3,-0.2 4,-0.8 0.820 132.0 56.5 -55.3 -32.7 21.8 4.6 49.5 36 37 A T H XS+ 0 0 72 -4,-1.4 5,-0.8 -5,-0.2 6,-0.2 0.959 118.0 65.6 -56.1 -58.8 23.3 -0.2 46.1 38 39 A M H XS+ 0 0 1 -2,-2.8 5,-1.1 -3,-0.3 8,-0.8 0.052 115.6 28.9-169.8 -61.4 20.5 -3.5 45.3 42 43 A V H < 5S- 0 0 9 -5,-0.4 3,-0.6 1,-0.1 -4,-0.1 0.199 130.3 -91.2 -73.2 23.5 14.7 -5.4 44.8 45 46 A I T 3 5 - 0 0 126 1,-0.2 -3,-0.2 2,-0.2 -1,-0.1 0.964 67.7 -61.3 68.4 58.5 16.5 -8.7 44.3 46 47 A D T 3> S+ 0 0 0 -7,-0.6 4,-2.1 3,-0.2 5,-0.3 0.739 106.0 52.7 -99.2 -46.7 17.6 -3.3 42.1 49 50 A A H > S+ 0 0 21 -8,-0.8 4,-1.0 1,-0.2 -2,-0.2 0.964 120.0 25.7 -52.2 -81.8 21.3 -3.5 41.2 50 51 A V H X S+ 0 0 93 -4,-1.6 4,-1.5 1,-0.2 5,-0.3 0.867 121.7 58.4 -54.9 -39.7 21.4 -3.9 37.4 51 52 A S H > S+ 0 0 2 -5,-0.4 4,-1.6 1,-0.2 3,-0.2 0.972 107.5 41.3 -57.3 -62.4 18.1 -2.1 37.0 52 53 A I H X S+ 0 0 15 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.686 107.1 72.0 -60.3 -16.8 18.9 1.3 38.7 53 54 A A H X S+ 0 0 55 -4,-1.0 4,-0.9 -5,-0.3 -1,-0.2 0.991 100.8 37.3 -62.0 -65.4 22.2 1.0 36.9 54 55 A A H X S+ 0 0 44 -4,-1.5 4,-1.5 -3,-0.2 3,-0.4 0.866 111.5 74.5 -55.8 -30.0 21.0 1.7 33.4 55 56 A S H >< S+ 0 0 4 -4,-1.6 3,-0.9 -5,-0.3 -2,-0.2 0.909 104.1 26.5 -45.1 -91.7 18.7 4.1 35.3 56 57 A I H 3X S+ 0 0 69 -4,-1.4 4,-3.1 1,-0.2 -1,-0.3 0.544 107.8 84.8 -55.0 -4.1 21.0 7.0 36.2 57 58 A W H 3X S+ 0 0 151 -4,-0.9 4,-1.4 -3,-0.4 3,-0.3 0.995 89.8 46.1 -57.6 -65.5 23.1 5.9 33.1 58 59 A L H >S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.5 0.905 96.1 67.7 -56.4 -44.4 21.4 10.7 33.5 60 61 A S H X5S+ 0 0 39 -4,-3.1 4,-1.1 -3,-0.3 -2,-0.2 0.925 103.5 43.8 -40.5 -58.4 25.1 10.2 33.4 61 62 A I H X5S+ 0 0 56 -4,-1.4 4,-1.1 -3,-0.3 -1,-0.3 0.898 115.1 51.9 -52.4 -44.4 25.0 11.7 29.8 62 63 A L H >X5S+ 0 0 11 -4,-1.6 4,-1.6 1,-0.3 3,-1.3 0.990 101.5 54.1 -55.3 -67.9 22.7 14.3 31.1 63 64 A F H 3X5S+ 0 0 100 -4,-2.7 4,-0.9 1,-0.3 -1,-0.3 0.761 102.6 70.8 -41.8 -21.4 24.8 15.5 34.1 64 65 A G H >XX S+ 0 0 10 -4,-0.8 2,-1.5 -3,-0.4 4,-1.4 0.973 99.4 52.7 -57.0 -48.3 28.5 22.9 30.6 69 70 A M H 3< S+ 0 0 3 -4,-1.1 -1,-0.3 1,-0.2 79,-0.2 -0.184 111.2 52.5 -76.2 40.6 26.5 24.7 33.2 70 71 A A H <4 S+ 0 0 17 -2,-1.5 -1,-0.2 -3,-1.4 -2,-0.2 0.405 96.9 54.6-146.2 -35.3 29.7 24.5 35.3 71 72 A L H XX S+ 0 0 10 -4,-1.7 3,-1.8 -3,-0.7 4,-0.6 0.802 104.8 61.1 -75.2 -23.8 32.6 25.9 33.3 72 73 A V G >< S+ 0 0 6 -4,-1.4 3,-2.9 -5,-0.3 -1,-0.2 0.988 102.1 52.8 -55.6 -53.5 30.2 28.8 33.1 73 74 A P G 34 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 80,-0.3 0.219 91.4 68.8 -64.3 6.7 30.7 28.7 37.0 74 75 A V G <4 S+ 0 0 18 -3,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.555 73.3 94.2 -93.4 -18.5 34.4 28.8 36.6 75 76 A V X< + 0 0 21 -3,-2.9 3,-1.4 -4,-0.6 -1,-0.2 0.340 41.9 116.1 -54.6 13.8 33.3 32.3 35.5 76 77 A A T 3 + 0 0 11 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.024 52.5 98.8 -70.5 28.9 34.2 32.8 39.2 77 78 A Q T 3 + 0 0 21 1,-0.2 -1,-0.3 306,-0.1 3,-0.3 0.817 54.1 71.3 -87.5 -42.5 36.6 34.9 37.1 78 79 A L S < S+ 0 0 26 -3,-1.4 7,-0.3 1,-0.3 -1,-0.2 0.270 91.1 67.9 -64.3 14.0 34.9 38.4 37.3 79 80 A N + 0 0 4 -3,-0.2 -1,-0.3 5,-0.1 227,-0.1 -0.475 48.3 139.7-128.1 51.4 36.0 38.4 40.9 80 81 A G S S- 0 0 2 226,-0.3 229,-0.1 -3,-0.3 -2,-0.1 0.433 103.9 -81.9 -73.9 7.1 39.7 38.6 40.2 81 82 A A S S+ 0 0 51 226,-0.1 3,-0.4 -4,-0.1 226,-0.1 0.055 125.1 96.8 105.3 -6.6 39.1 40.9 43.2 82 83 A G S S+ 0 0 12 224,-0.4 2,-3.8 -5,-0.2 -3,-0.1 0.784 88.2 16.3 -72.5-112.5 38.1 43.1 40.3 83 84 A R S S+ 0 0 69 1,-0.2 4,-0.3 -6,-0.1 -1,-0.2 -0.288 71.6 172.7 -62.9 68.1 34.4 43.2 39.5 84 85 A Q S S+ 0 0 58 -2,-3.8 2,-0.3 -3,-0.4 -1,-0.2 0.428 73.4 41.1 -61.6 5.7 33.7 41.7 43.0 85 86 A H S S+ 0 0 47 -7,-0.3 138,-0.1 683,-0.2 458,-0.0 -0.862 83.6 67.5-140.3 173.5 30.2 42.5 41.8 86 87 A K S > S+ 0 0 28 -2,-0.3 4,-1.3 -7,-0.0 -2,-0.1 0.123 84.7 92.7 92.6 -15.9 28.4 42.2 38.4 87 88 A I H > + 0 0 21 -4,-0.3 4,-4.0 2,-0.2 5,-0.2 0.885 68.0 68.2 -72.1 -42.6 28.8 38.5 39.1 88 89 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 108.9 37.4 -46.3 -43.5 25.4 38.3 40.8 89 90 A F H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.819 112.5 57.0 -77.1 -33.8 23.8 39.0 37.4 90 91 A E H X S+ 0 0 9 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.949 114.4 41.7 -56.6 -49.7 26.3 36.9 35.6 91 92 A V H X S+ 0 0 20 -4,-4.0 4,-1.4 2,-0.2 5,-0.4 0.989 108.0 53.2 -60.5 -71.1 25.2 34.1 37.9 92 93 A H H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.889 109.4 57.4 -33.3 -49.4 21.5 34.4 38.0 93 94 A Q H >X S+ 0 0 3 -4,-1.9 4,-1.5 2,-0.2 3,-0.9 0.942 106.1 45.7 -47.7 -62.3 22.0 34.3 34.2 94 95 A G H 3X S+ 0 0 1 -4,-1.8 4,-1.9 -3,-0.3 3,-0.3 0.954 107.3 57.6 -45.5 -68.9 23.7 30.9 34.3 95 96 A L H 3X S+ 0 0 49 -4,-1.4 4,-1.4 1,-0.3 -1,-0.3 0.755 103.2 56.9 -31.6 -41.7 21.2 29.4 36.7 96 97 A I H XX S+ 0 0 45 -4,-1.9 4,-2.0 -3,-0.9 3,-1.4 0.997 104.1 47.9 -57.0 -68.1 18.6 30.2 34.1 97 98 A L H 3< S+ 0 0 7 -4,-1.5 4,-0.4 -3,-0.3 5,-0.3 0.825 100.6 73.5 -40.9 -33.8 20.2 28.3 31.3 98 99 A A H >X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 3,-1.4 0.945 106.0 32.3 -44.1 -61.4 20.4 25.6 34.0 99 100 A L H S+ 0 0 18 -3,-1.4 4,-0.8 -4,-0.4 -2,-0.2 0.649 107.0 60.9-120.5 -50.7 18.8 22.7 29.7 102 103 A S H >X S+ 0 0 10 -4,-2.3 4,-2.1 -5,-0.3 3,-1.0 0.914 110.3 47.5 -48.0 -44.7 17.4 20.3 32.2 103 104 A V H 3X S+ 0 0 81 -4,-2.2 4,-1.8 2,-0.3 3,-0.3 0.970 103.9 57.9 -63.0 -52.6 14.1 20.6 30.4 104 105 A P H 34 S+ 0 0 79 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.654 115.1 42.2 -52.9 -8.8 15.8 20.0 27.0 105 106 A I H S+ 0 0 82 -4,-0.5 4,-1.3 1,-0.2 5,-0.4 0.838 116.6 57.8 -40.4 -39.7 15.0 12.6 26.3 109 110 A L H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.976 107.6 35.7 -57.0 -87.0 14.0 11.5 29.8 110 111 A F H X S+ 0 0 101 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.840 119.6 49.9 -33.3 -60.3 10.3 10.8 29.8 111 112 A Q H >X S+ 0 0 129 -4,-1.5 3,-0.9 -5,-0.3 4,-0.8 0.936 114.4 36.1 -51.7 -67.6 10.2 9.4 26.3 112 113 A T H >X S+ 0 0 46 -4,-1.3 4,-5.3 -5,-0.3 3,-0.8 0.862 109.8 65.3 -59.9 -33.6 13.0 6.8 26.1 113 114 A Q H 3< S+ 0 0 6 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.896 107.7 42.0 -51.9 -39.5 12.2 5.9 29.8 114 115 A F H << S+ 0 0 139 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.3 0.632 123.0 41.6 -80.6 -16.6 8.9 4.7 28.2 115 116 A I H << + 0 0 107 -3,-0.8 -2,-0.2 -4,-0.8 -3,-0.2 0.811 69.0 160.2-100.3 -39.1 10.9 3.2 25.3 116 117 A I < - 0 0 45 -4,-5.3 -1,-0.1 1,-0.2 3,-0.1 -0.273 57.1-107.7 48.6-134.6 13.9 1.5 26.9 117 118 A R S S+ 0 0 179 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.270 89.7 15.4-156.0 -30.9 14.9 -0.8 24.0 118 119 A F S S- 0 0 143 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 -0.422 72.9-116.2-131.2-155.1 13.8 -4.2 25.5 119 120 A M + 0 0 136 -2,-0.2 -3,-0.0 -3,-0.1 5,-0.0 0.143 52.7 142.7-141.9 21.0 11.7 -5.4 28.4 120 121 A D S S- 0 0 96 1,-0.1 -1,-0.0 2,-0.1 0, 0.0 0.803 75.7 -84.8 -27.6 -94.6 14.1 -7.2 30.7 121 122 A V S > S+ 0 0 62 2,-0.1 4,-0.6 3,-0.0 -1,-0.1 0.330 117.0 83.8-158.4 -25.9 12.8 -6.2 34.1 122 123 A E T 4>S+ 0 0 27 3,-0.2 5,-2.0 2,-0.1 -2,-0.1 0.702 77.5 97.8 -60.4 -16.0 14.2 -2.9 34.9 123 124 A E T >5S+ 0 0 55 3,-0.2 4,-0.6 2,-0.1 -4,-0.1 0.592 94.4 9.0 -44.2-141.9 11.3 -1.8 32.8 124 125 A A H >>S+ 0 0 76 3,-0.1 4,-0.9 2,-0.1 5,-0.8 0.558 131.4 61.2 -1.7 -71.0 8.3 -0.8 34.8 125 126 A M H X5S+ 0 0 42 -4,-0.6 4,-1.6 2,-0.1 5,-0.2 0.795 123.9 4.8 -31.4-112.5 10.6 -0.9 37.9 126 127 A A H >>S+ 0 0 0 3,-0.2 5,-1.3 1,-0.2 4,-1.1 0.932 117.1 81.7 -43.4 -63.5 13.4 1.5 37.5 127 128 A T H <X>X S+ 0 0 56 -4,-0.5 3,-1.0 1,-0.3 4,-0.8 0.906 104.4 55.6 -53.8 -32.2 11.9 15.0 37.3 136 137 A V H >X S+ 0 0 18 -4,-1.3 4,-0.7 1,-0.3 3,-0.7 0.881 98.3 57.4 -62.7 -44.5 13.6 15.4 40.6 137 138 A I H 34 S+ 0 0 24 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.017 100.0 60.1 -81.1 29.0 17.0 15.4 39.1 138 139 A F H <> S+ 0 0 11 -3,-1.0 4,-0.8 2,-0.1 -1,-0.2 0.549 103.2 47.9-118.5 -33.5 16.1 18.4 36.9 139 140 A A H S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.875 101.3 62.2 -51.5 -39.9 20.9 20.9 38.3 142 143 A A H >X S+ 0 0 23 -4,-0.8 4,-1.2 1,-0.3 3,-1.1 0.979 108.9 41.1 -48.2 -60.6 19.2 24.2 39.3 143 144 A Y H >X S+ 0 0 21 -4,-1.4 4,-1.8 1,-0.3 3,-0.8 0.937 104.9 67.9 -49.5 -49.3 20.8 23.7 42.7 144 145 A L H 3X S+ 0 0 9 -4,-3.0 4,-1.6 1,-0.3 -1,-0.3 0.872 97.3 53.4 -37.0 -48.9 23.9 22.6 40.7 145 146 A L H S+ 0 0 29 -4,-1.8 5,-1.8 1,-0.2 7,-0.5 0.865 101.2 63.4 -45.2 -43.7 27.2 25.2 43.6 148 149 A A H <>S+ 0 0 4 -4,-1.6 5,-2.1 -3,-0.4 6,-0.3 0.944 112.1 32.1 -43.8 -65.3 28.6 26.9 40.6 149 150 A L H <>S+ 0 0 18 -4,-1.5 6,-0.7 -3,-0.5 5,-0.6 0.963 140.4 14.6 -60.1 -60.1 28.7 30.3 42.3 150 151 A R T X5S+ 0 0 14 -4,-2.8 4,-3.0 4,-0.3 8,-0.2 0.712 118.0 52.8 -82.8-110.8 29.3 29.0 45.8 151 152 A S T 45S+ 0 0 8 1,-0.2 11,-0.3 2,-0.2 9,-0.2 0.314 136.1 3.7 14.8 -81.8 30.4 25.4 46.2 152 153 A F T 4<< - 0 0 8 -4,-3.0 2,-0.8 -5,-0.6 3,-0.7 0.978 67.0 -66.6 46.6 75.2 32.1 30.3 46.2 155 156 A G T 3 S- 0 0 21 -6,-0.7 -1,-0.1 1,-0.3 -76,-0.1 -0.333 131.3 -3.1 51.7 -99.1 31.7 34.0 45.5 156 157 A M T 3 S- 0 0 66 -2,-0.8 -1,-0.3 1,-0.1 2,-0.2 0.963 133.8 -63.2 -78.0 -68.3 35.4 34.4 45.0 157 158 A S S < S+ 0 0 37 -3,-0.7 -3,-0.3 146,-0.0 -4,-0.2 -0.535 73.1 140.1 175.2 110.2 36.4 30.8 46.0 158 159 A L - 0 0 78 -6,-0.4 2,-0.2 -8,-0.2 -4,-0.1 -0.219 32.9-163.3-154.2 45.0 35.8 29.2 49.3 159 160 A T + 0 0 5 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85.6 29.9 796 336 B T H X S+ 0 0 101 -4,-0.7 4,-5.0 -3,-0.5 3,-0.6 0.862 75.5 45.1 -38.1 -94.2 39.5 94.2 32.4 801 341 B E H 3> S+ 0 0 87 -3,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.646 125.4 31.8 -20.0 -58.4 38.8 97.7 30.8 802 342 B Q H 3> S+ 0 0 148 2,-0.2 4,-2.1 -4,-0.2 -1,-0.3 0.864 121.4 49.8 -76.6 -40.6 35.9 96.5 28.5 803 343 B I H << S+ 0 0 28 -4,-3.2 3,-0.2 -3,-0.6 -2,-0.2 0.990 104.9 60.8 -56.3 -53.0 34.8 93.9 30.9 804 344 B A H >< S+ 0 0 11 -4,-5.0 3,-0.6 -5,-0.4 -2,-0.2 0.892 99.6 55.1 -33.9 -62.5 34.9 96.8 33.3 805 345 B L H 3< S+ 0 0 80 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.877 76.9 112.8 -34.4 -64.5 32.3 98.4 31.1 806 346 B L T 3< S+ 0 0 71 -4,-2.1 2,-0.9 -3,-0.2 -1,-0.2 0.117 71.0 51.4 29.0 -95.6 30.2 95.3 31.5 807 347 B Y S < S- 0 0 133 -3,-0.6 2,-0.2 -4,-0.2 -68,-0.1 -0.622 112.0-112.9 -64.8 106.9 27.5 97.0 33.5 808 348 B T S S+ 0 0 130 -2,-0.9 2,-0.1 1,-0.1 -2,-0.1 -0.284 77.0 97.3 -49.8 112.6 27.0 99.9 31.1 809 349 B E S S- 0 0 73 -2,-0.2 2,-0.1 1,-0.2 -1,-0.1 -0.440 70.4 -74.7-159.4-123.3 28.1 103.1 32.8 810 350 B N S S- 0 0 101 -2,-0.1 4,-0.3 -5,-0.1 -1,-0.2 -0.371 74.6 -45.9-135.1-151.0 31.4 105.1 32.7 811 351 B Q S > S+ 0 0 108 -2,-0.1 3,-2.6 2,-0.1 4,-0.3 0.846 81.2 152.0 -57.7 -31.8 34.9 105.0 34.0 812 352 B V T 3 S- 0 0 35 1,-0.3 2,-0.3 2,-0.1 -3,-0.0 0.400 80.9 -29.5 -7.6 94.6 33.1 104.1 37.2 813 353 B V T 3> S+ 0 0 18 1,-0.1 4,-9.9 4,-0.1 6,-0.3 0.068 94.6 130.5 72.9 -26.2 35.8 101.9 38.8 814 354 B V H <> S+ 0 0 35 -3,-2.6 4,-3.0 3,-0.3 -2,-0.1 0.694 79.2 49.9 -19.3 -44.4 37.6 100.6 35.7 815 355 B A H > S+ 0 0 50 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.990 129.0 19.2 -66.6 -75.8 40.8 101.7 37.3 816 356 B L H > S+ 0 0 56 2,-0.3 4,-5.4 1,-0.2 5,-0.3 0.872 126.8 58.1 -62.0 -35.2 40.3 100.0 40.7 817 357 B A H X S+ 0 0 2 -4,-9.9 4,-5.3 2,-0.3 -3,-0.3 0.997 105.2 48.4 -52.8 -64.9 37.8 97.9 38.8 818 358 B M H X S+ 0 0 61 -4,-3.0 4,-1.3 -5,-0.3 -2,-0.3 0.816 115.8 45.9 -40.5 -39.2 40.7 96.9 36.6 819 359 B Q H X S+ 0 0 77 -4,-2.0 4,-1.1 -6,-0.3 -1,-0.3 0.931 116.1 42.3 -72.4 -48.4 42.5 96.3 39.9 820 360 B L H >X S+ 0 0 1 -4,-5.4 4,-1.3 -7,-0.3 3,-0.7 0.937 104.7 66.8 -62.6 -43.2 39.7 94.4 41.5 821 361 B L H >X S+ 0 0 6 -4,-5.3 4,-1.4 -5,-0.3 3,-0.7 0.910 98.2 55.4 -38.5 -50.7 39.2 92.7 38.1 822 362 B L H 3X S+ 0 0 100 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.3 0.887 95.8 61.3 -49.2 -52.5 42.6 91.2 38.9 823 363 B F H X S+ 0 0 23 -4,-1.1 4,-1.4 -5,-0.4 3,-0.6 0.986 120.3 24.5 -58.1 -82.4 42.1 80.1 40.0 830 370 B M H 3X S+ 0 0 61 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.759 119.2 61.1 -58.5 -28.9 42.1 78.9 43.6 831 371 B D H 3X S+ 0 0 2 -4,-4.9 4,-2.8 -5,-0.3 -1,-0.3 0.960 102.2 54.8 -61.2 -46.2 38.3 79.0 43.8 832 372 B A H S+ 0 0 17 -4,-2.8 5,-0.7 3,-0.2 4,-0.5 0.919 112.2 46.6 -44.1 -67.4 35.1 73.7 44.0 836 376 B V H X5S+ 0 0 7 -4,-1.9 4,-2.5 3,-0.2 5,-0.5 0.941 115.0 39.1 -42.3 -87.3 36.2 70.6 42.1 837 377 B A H X>S+ 0 0 11 -4,-0.8 5,-2.3 3,-0.2 6,-0.8 0.841 124.2 43.4 -27.8 -70.8 37.9 68.4 44.7 838 378 B A H X>S+ 0 0 6 -4,-1.3 5,-2.1 -5,-0.4 4,-0.5 0.902 120.7 28.4 -41.8-105.6 35.3 69.4 47.3 839 379 B G H <5S+ 0 0 29 -4,-0.5 -1,-0.2 3,-0.2 -3,-0.2 0.612 133.7 37.5 -38.6 -21.4 31.8 69.3 45.9 840 380 B S H <<5S+ 0 0 2 -4,-0.6 3,-2.0 -5,-0.5 -3,-0.2 0.976 142.4 30.5 -52.9 -57.7 35.4 64.0 44.6 842 382 B R G ><> S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 3,-1.4 0.630 112.4 77.2 -54.6 -23.8 29.8 61.8 53.3 847 387 B M H 3> S+ 0 0 0 -5,-0.4 4,-2.1 1,-0.3 5,-0.4 0.954 86.7 63.1 -56.3 -40.3 32.8 63.7 52.3 848 388 B T H <> S+ 0 0 0 -6,-1.0 4,-0.7 -3,-0.6 -1,-0.3 0.833 99.3 54.3 -49.0 -33.5 30.1 66.2 51.5 849 389 B A H X> S+ 0 0 20 -3,-1.4 4,-1.1 1,-0.2 3,-0.8 0.993 119.6 28.7 -64.5 -60.3 29.5 66.1 55.3 850 390 B I H 3X S+ 0 0 78 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.420 112.3 66.4 -81.4 1.4 33.1 67.0 56.2 851 391 B F H 3X S+ 0 0 10 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.678 102.0 52.7 -87.2 -20.9 33.5 69.0 52.9 852 392 B H H S+ 0 0 70 -4,-1.7 4,-1.4 -3,-0.4 5,-0.5 0.732 105.0 72.8 -73.8 -15.3 33.3 76.9 57.0 857 397 B S H X5S+ 0 0 44 -4,-1.6 4,-0.8 1,-0.2 5,-0.2 0.917 106.3 35.9 -61.0 -46.2 37.0 76.3 57.9 858 398 B Y H X5S+ 0 0 19 -4,-1.5 4,-3.0 -3,-0.4 -1,-0.2 0.810 115.8 65.4 -76.1 -28.2 38.1 78.5 55.1 859 399 B W H X5S+ 0 0 64 -4,-1.3 4,-0.8 -5,-0.2 -2,-0.2 0.975 107.4 28.2 -56.6 -87.2 35.0 80.7 55.8 860 400 B V H <>S+ 0 0 79 -4,-1.4 5,-0.7 1,-0.2 -1,-0.2 0.848 126.3 50.0 -46.1 -41.0 35.5 82.3 59.3 861 401 B L H XS+ 0 0 5 -4,-0.8 4,-6.0 2,-0.3 5,-0.6 0.827 120.7 43.9 -34.9 -69.1 36.3 86.6 55.6 864 404 B P H >5S+ 0 0 55 0, 0.0 4,-3.7 0, 0.0 -1,-0.3 0.961 121.1 44.0 -47.3 -48.0 37.1 87.9 59.1 865 405 B T H <X5S+ 0 0 0 -4,-4.0 4,-2.2 -5,-0.3 3,-0.9 0.885 117.8 42.4 -70.5 -43.5 39.9 89.1 54.7 867 407 B Y H 3X5S+ 0 0 48 -4,-6.0 4,-5.7 1,-0.3 5,-0.3 0.961 114.9 51.6 -67.3 -47.8 37.6 91.9 56.0 868 408 B I H 3< S+ 0 0 41 -3,-0.9 4,-1.3 -6,-0.3 3,-0.5 0.752 109.6 37.3 -98.8 -49.3 42.4 92.6 55.7 870 410 B G H >X S+ 0 0 0 -4,-2.2 3,-3.3 1,-0.3 4,-1.3 0.991 124.3 43.9 -56.1 -62.3 40.3 95.4 54.5 871 411 B M H 3< S+ 0 0 54 -4,-5.7 -1,-0.3 1,-0.3 -2,-0.3 0.506 100.2 69.1 -55.0 -8.0 40.4 96.0 58.2 872 412 B T H 34 S+ 0 0 29 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.723 99.2 49.3 -79.9 -27.1 44.2 95.2 58.2 873 413 B N H << S+ 0 0 45 -3,-3.3 -2,-0.3 -4,-1.3 -1,-0.2 0.940 107.3 50.7 -68.6 -46.2 44.4 98.4 56.4 874 414 B W S < S+ 0 0 123 -4,-1.3 -2,-0.3 -5,-0.1 -1,-0.2 0.668 134.3 15.8 -60.6 -9.4 42.3 99.4 59.3 875 415 B L S S+ 0 0 128 -5,-0.3 -3,-0.2 -6,-0.2 -2,-0.2 0.397 134.0 7.5-124.0-105.5 45.2 97.7 61.1 876 416 B T S S- 0 0 112 1,-0.1 2,-0.2 -5,-0.0 -3,-0.2 0.966 102.8 -92.3 -46.9 -86.3 48.7 96.7 59.7 877 417 B E + 0 0 114 -8,-0.1 -4,-0.2 -5,-0.0 -1,-0.1 -0.630 45.8 166.3 161.2 145.1 48.7 98.4 56.3 878 418 B Q - 0 0 24 -2,-0.2 3,-0.3 -5,-0.1 -9,-0.0 -0.979 45.7-102.9-161.4 162.9 47.9 98.1 52.5 879 419 B P S S+ 0 0 119 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.815 107.4 5.0 -67.0 -28.8 47.5 100.1 49.3 880 420 B L > - 0 0 47 1,-0.1 4,-2.5 2,-0.1 5,-0.4 -0.552 56.5-162.8-159.8 89.5 43.5 99.8 49.2 881 421 B G H > S+ 0 0 3 -3,-0.3 4,-0.8 1,-0.2 -9,-0.1 0.629 92.2 53.7 -44.3 -23.2 41.5 98.2 52.0 882 422 B A H >> S+ 0 0 13 2,-0.2 4,-2.3 3,-0.2 3,-0.7 0.964 116.9 33.4 -76.5 -69.1 38.4 97.8 49.8 883 423 B K H >> S+ 0 0 48 1,-0.3 4,-1.9 2,-0.2 3,-1.0 0.973 121.7 51.9 -44.7 -66.1 40.0 96.0 46.9 884 424 B G H 3X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.693 107.7 49.8 -45.3 -33.1 42.3 94.2 49.4 885 425 B F H X S+ 0 0 72 -4,-1.9 3,-2.3 1,-0.2 4,-1.5 0.870 92.0 68.3 -58.1 -48.5 41.0 89.8 48.2 888 428 B G H 3X S+ 0 0 0 -4,-1.7 4,-0.9 -22,-0.4 -1,-0.2 0.796 95.1 64.0 -45.4 -28.2 41.2 88.4 51.8 889 429 B F H XX S+ 0 0 27 -4,-1.0 4,-1.5 -3,-0.9 3,-0.9 0.896 95.7 54.0 -63.1 -42.9 38.2 86.4 50.5 890 430 B I H <> S+ 0 0 19 -3,-2.3 4,-2.3 -4,-0.5 5,-0.4 0.951 100.1 62.0 -55.6 -47.4 40.4 84.7 47.9 891 431 B I H 3X S+ 0 0 82 -4,-1.5 4,-1.0 1,-0.3 -1,-0.3 0.819 102.1 54.2 -45.0 -36.0 42.7 83.7 50.9 892 432 B G H X S+ 0 0 21 -4,-1.0 4,-2.1 -5,-0.4 3,-0.8 0.947 116.7 34.6 -75.6 -57.4 42.7 78.2 52.2 896 436 B A H 3X S+ 0 0 1 -4,-3.6 4,-1.6 1,-0.3 5,-0.4 0.964 111.9 64.6 -60.5 -48.9 39.7 75.8 52.1 897 437 B A H 3X S+ 0 0 12 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.3 0.786 104.5 45.6 -43.5 -29.7 41.0 74.8 48.7 898 438 B L H X> S+ 0 0 115 -3,-0.8 3,-1.2 -4,-0.4 4,-0.9 0.927 105.4 64.6 -77.9 -44.9 44.0 73.5 50.7 899 439 B M H 3< S+ 0 0 68 -4,-2.1 3,-0.4 1,-0.3 -2,-0.2 0.754 101.9 44.3 -45.3 -42.7 41.6 72.0 53.2 900 440 B L H >< S+ 0 0 3 -4,-1.6 3,-1.6 1,-0.2 -1,-0.3 0.729 102.7 68.8 -78.9 -21.6 40.1 69.4 50.8 901 441 B G H X< S+ 0 0 46 -3,-1.2 3,-0.7 -4,-0.5 -1,-0.2 0.798 97.4 50.8 -64.5 -31.4 43.5 68.6 49.5 902 442 B Q T 3< S+ 0 0 169 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.209 95.2 69.6 -88.4 9.6 44.4 67.0 52.9 903 443 B R T X S+ 0 0 29 -3,-1.6 3,-3.4 2,-0.1 -1,-0.2 0.280 74.1 162.1-101.7 1.0 41.1 65.1 52.4 904 444 B L T <> S- 0 0 86 -3,-0.7 4,-1.0 1,-0.4 -3,-0.1 0.107 86.1 -53.2 -24.2 83.9 43.4 63.6 49.8 905 445 B Y T 34 S- 0 0 16 -5,-0.2 -1,-0.4 2,-0.2 3,-0.3 0.753 82.8-102.8 34.4 37.0 41.0 60.6 49.6 906 446 B W T <4 S- 0 0 65 -3,-3.4 2,-0.5 1,-0.3 3,-0.1 -0.418 105.1 -8.2 54.0-126.0 41.4 60.4 53.4 907 447 B L T 4 S- 0 0 90 1,-0.4 -1,-0.3 5,-0.0 -2,-0.2 -0.263 113.2-105.6 -89.5 42.5 43.8 57.4 53.2 908 448 B Q < - 0 0 109 -4,-1.0 -1,-0.4 -2,-0.5 2,-0.4 -0.441 67.1 -48.3 64.2-127.8 43.0 57.3 49.5 909 449 B K + 0 0 39 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.1 -0.991 61.3 153.8-150.1 110.9 40.7 54.2 49.0 910 450 B Q S S- 0 0 124 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.764 86.7 -54.9-104.4 -75.0 41.2 50.7 50.5 911 451 B S S S+ 0 0 73 2,-0.0 4,-0.3 3,-0.0 3,-0.3 -0.071 117.1 102.0-155.9 13.3 37.8 49.1 50.8 912 452 B D > + 0 0 66 1,-0.2 4,-0.6 2,-0.2 6,-0.1 0.314 67.3 78.9 -84.4 6.4 36.7 52.0 52.9 913 453 B D H >> S+ 0 0 23 2,-0.2 4,-0.6 1,-0.2 3,-0.6 0.912 95.4 38.3 -79.5 -49.4 35.0 52.9 49.6 914 454 B V H 34 S+ 0 0 62 -3,-0.3 7,-0.2 1,-0.2 6,-0.2 0.613 111.4 65.8 -75.5 -9.6 32.1 50.5 49.9 915 455 B Q H >4 S+ 0 0 91 -4,-0.3 3,-1.2 1,-0.2 -1,-0.2 0.790 97.9 49.7 -76.9 -32.5 32.4 51.6 53.6 916 456 B L H << S+ 0 0 9 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.668 115.5 44.7 -75.6 -20.2 31.4 55.1 52.4 917 457 B H T 3< S+ 0 0 33 -4,-0.6 -1,-0.3 3,-0.2 -2,-0.2 -0.148 103.1 63.0-115.9 32.7 28.6 53.2 50.7 918 458 B L S < S+ 0 0 122 -3,-1.2 -2,-0.2 3,-0.2 -3,-0.2 0.136 112.8 36.9-130.2 -5.1 28.1 51.1 53.9 919 459 B A S S+ 0 0 57 -5,-0.1 -2,-0.2 -4,-0.1 -3,-0.1 0.180 135.1 28.1-126.4 -1.5 27.1 54.4 55.5 920 460 B A 0 0 4 -6,-0.2 -3,-0.2 -5,-0.1 -2,-0.1 0.492 360.0 360.0-129.2 -28.5 25.5 55.4 52.2 921 461 B K 0 0 92 -7,-0.2 -3,-0.2 -6,-0.1 -382,-0.1 0.746 360.0 360.0 20.8 360.0 24.5 51.9 50.8