==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-07 2ORI . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.COUNAGO,Y.SHAMOO,C.J.WILSON,G.WU,J.MYERS . 432 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 2 0 0 0 2 1 7 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 M 0 0 10 0, 0.0 80,-1.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 91.9 -3.4 76.9 23.8 2 2 A N E +a 81 0A 0 78,-0.3 106,-2.9 104,-0.2 107,-1.4 -0.896 360.0 174.9-106.2 108.5 -0.3 78.7 22.4 3 3 A L E -ab 82 109A 0 78,-2.7 80,-3.0 -2,-0.7 2,-0.4 -0.869 27.8-162.0-125.4 151.7 1.9 76.3 20.5 4 4 A V E -ab 83 110A 1 105,-1.8 107,-3.2 -2,-0.3 2,-0.5 -0.997 11.2-158.0-126.9 130.6 5.0 76.1 18.4 5 5 A L E +ab 84 111A 2 78,-2.3 80,-1.7 -2,-0.4 81,-0.4 -0.941 19.9 172.5-108.0 126.2 5.8 73.1 16.2 6 6 A M E + b 0 112A 12 105,-2.8 107,-2.9 -2,-0.5 2,-0.2 -0.946 11.6 124.8-133.2 157.0 9.4 72.7 15.3 7 7 A G - 0 0 14 -2,-0.3 3,-0.1 105,-0.2 107,-0.1 -0.846 58.0 -69.8 165.4 159.7 11.4 70.0 13.6 8 8 A L S > S- 0 0 25 105,-0.5 3,-2.7 -2,-0.2 4,-0.2 -0.238 74.7 -66.9 -66.0 159.2 13.7 69.3 10.7 9 9 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 115,-0.1 -0.230 124.9 11.0 -49.7 125.2 12.4 69.6 7.1 10 10 A G T 3 S+ 0 0 20 -3,-0.1 -2,-0.1 113,-0.1 0, 0.0 0.408 85.4 125.7 85.3 0.7 10.0 66.7 6.5 11 11 A A S < S- 0 0 3 -3,-2.7 -3,-0.1 1,-0.1 105,-0.0 0.720 87.8 -93.0 -64.6 -21.4 9.7 65.7 10.2 12 12 A G S > S+ 0 0 16 -4,-0.2 4,-2.6 -5,-0.1 5,-0.3 0.666 74.9 141.8 118.4 25.2 5.9 66.0 10.1 13 13 A K H > S+ 0 0 23 -5,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 80.8 44.1 -60.5 -48.6 4.9 69.5 11.2 14 14 A G H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 114.1 51.4 -63.7 -40.1 2.1 69.9 8.7 15 15 A T H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.932 116.1 38.1 -63.7 -49.5 0.8 66.4 9.3 16 16 A Q H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.893 114.2 57.4 -69.5 -37.7 0.6 66.7 13.1 17 17 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.888 100.5 55.7 -58.9 -44.3 -0.6 70.3 12.8 18 18 A E H X S+ 0 0 54 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.876 108.8 49.5 -55.4 -40.6 -3.6 69.3 10.7 19 19 A R H X S+ 0 0 52 -4,-1.1 4,-2.2 -3,-0.2 5,-0.2 0.929 110.8 49.0 -65.8 -46.9 -4.6 66.9 13.5 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.5 0.910 108.0 53.5 -59.2 -45.3 -4.2 69.6 16.1 21 21 A V H X S+ 0 0 39 -4,-2.8 4,-1.6 3,-0.2 -1,-0.2 0.822 110.0 49.0 -62.4 -31.2 -6.3 72.1 14.2 22 22 A E H < S+ 0 0 157 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.935 115.8 40.5 -74.4 -47.7 -9.1 69.6 13.9 23 23 A D H < S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.856 133.7 20.7 -69.9 -32.8 -9.2 68.6 17.6 24 24 A Y H < S- 0 0 68 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.669 84.5-138.0-114.8 -17.7 -8.7 72.2 18.9 25 25 A G < + 0 0 57 -4,-1.6 -4,-0.2 -5,-0.5 54,-0.1 0.723 50.5 142.6 70.0 19.6 -9.7 74.7 16.2 26 26 A I - 0 0 13 -6,-0.3 -1,-0.2 1,-0.1 55,-0.2 -0.655 61.8 -89.5 -88.2 151.6 -6.7 77.0 16.8 27 27 A P - 0 0 16 0, 0.0 55,-2.5 0, 0.0 2,-0.8 -0.349 31.0-134.3 -64.6 139.6 -5.3 78.7 13.7 28 28 A H E -c 82 0A 59 53,-0.2 2,-0.8 -2,-0.1 55,-0.2 -0.844 23.6-170.2 -95.0 110.8 -2.5 76.8 11.9 29 29 A I E +c 83 0A 2 53,-3.4 55,-2.6 -2,-0.8 2,-0.6 -0.856 8.8 174.4-108.2 101.1 0.1 79.4 11.1 30 30 A S E > -c 84 0A 10 -2,-0.8 4,-2.4 53,-0.2 55,-0.2 -0.928 22.6-158.1-109.3 118.2 2.8 78.1 8.8 31 31 A T H > S+ 0 0 4 53,-1.3 4,-2.9 -2,-0.6 5,-0.2 0.891 96.1 53.2 -60.7 -38.6 5.5 80.6 7.6 32 32 A G H > S+ 0 0 16 52,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.924 109.5 46.9 -61.7 -44.7 6.2 78.3 4.6 33 33 A D H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.905 111.8 52.7 -62.1 -41.9 2.6 78.2 3.5 34 34 A M H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.951 111.6 44.6 -59.7 -48.6 2.4 81.9 4.0 35 35 A F H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.900 114.7 48.8 -64.1 -40.6 5.4 82.5 1.7 36 36 A R H X S+ 0 0 55 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.900 109.3 51.8 -67.9 -36.3 4.1 80.0 -0.9 37 37 A A H X S+ 0 0 43 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.914 111.7 48.7 -62.9 -40.7 0.7 81.6 -0.9 38 38 A A H X>S+ 0 0 8 -4,-2.1 5,-1.8 1,-0.2 4,-0.7 0.888 108.0 53.3 -65.0 -41.3 2.4 84.9 -1.5 39 39 A M H <5S+ 0 0 39 -4,-2.4 -1,-0.2 7,-0.2 -2,-0.2 0.850 109.2 50.6 -62.6 -33.8 4.5 83.4 -4.3 40 40 A K H <5S+ 0 0 172 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 113.3 42.2 -71.1 -43.6 1.3 82.2 -6.0 41 41 A E H <5S- 0 0 142 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.527 107.8-132.5 -79.8 -5.9 -0.4 85.6 -5.8 42 42 A E T <5 + 0 0 145 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.889 43.2 167.2 55.5 43.2 2.9 87.1 -6.8 43 43 A T >< - 0 0 47 -5,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.370 53.4-103.5 -77.7 166.2 2.9 89.8 -4.2 44 44 A P H > S+ 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.863 125.2 54.0 -61.8 -32.1 6.1 91.6 -3.6 45 45 A L H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.949 107.5 51.5 -63.5 -46.2 6.6 89.6 -0.4 46 46 A G H > S+ 0 0 0 -8,-0.3 4,-2.1 1,-0.2 -7,-0.2 0.898 109.8 47.4 -56.4 -46.2 6.2 86.4 -2.5 47 47 A L H X S+ 0 0 91 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.882 113.6 48.1 -66.3 -37.5 8.8 87.4 -5.1 48 48 A E H X S+ 0 0 110 -4,-2.0 4,-0.6 -5,-0.2 3,-0.5 0.940 114.1 45.9 -66.8 -45.9 11.3 88.4 -2.4 49 49 A A H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.6 0.836 99.3 72.6 -65.3 -33.9 10.8 85.2 -0.5 50 50 A K H 3X S+ 0 0 93 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.836 88.2 58.6 -51.2 -47.3 11.0 83.0 -3.6 51 51 A S H 3X S+ 0 0 69 -4,-0.9 4,-0.8 -3,-0.5 -1,-0.2 0.909 113.2 39.9 -52.7 -44.6 14.7 83.4 -4.2 52 52 A Y H XX>S+ 0 0 79 -4,-0.6 5,-2.2 -3,-0.6 4,-0.8 0.932 115.4 49.5 -72.1 -47.8 15.5 82.0 -0.7 53 53 A I H ><5S+ 0 0 21 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.900 107.8 53.2 -61.1 -43.8 12.8 79.3 -0.7 54 54 A D H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 113.2 44.9 -63.4 -26.2 13.7 77.8 -4.1 55 55 A K H <<5S- 0 0 127 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.546 115.4-116.6 -92.4 -10.0 17.4 77.5 -3.0 56 56 A G T <<5S+ 0 0 5 -4,-0.8 -3,-0.2 -3,-0.8 118,-0.2 0.581 71.3 132.3 85.1 9.8 16.4 76.0 0.3 57 57 A E < - 0 0 76 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.3 -0.475 64.4 -92.2 -90.3 165.3 17.8 79.0 2.3 58 58 A L - 0 0 43 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.560 35.0-121.2 -77.3 138.2 16.1 80.8 5.1 59 59 A V - 0 0 11 -2,-0.3 -10,-0.1 1,-0.1 -1,-0.1 -0.508 51.9 -83.8 -69.4 146.7 14.1 84.0 4.2 60 60 A P > - 0 0 52 0, 0.0 4,-1.5 0, 0.0 5,-0.2 -0.175 34.7-121.1 -55.4 148.4 15.6 86.9 6.2 61 61 A D H > S+ 0 0 55 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.872 101.9 61.1 -56.1 -46.7 14.5 87.4 9.8 62 62 A E H > S+ 0 0 176 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 110.3 36.4 -52.1 -58.4 13.2 91.0 9.4 63 63 A V H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 118.2 52.9 -65.1 -36.2 10.5 90.3 6.8 64 64 A T H X S+ 0 0 5 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.941 109.4 47.1 -64.1 -49.2 9.6 86.9 8.3 65 65 A I H X S+ 0 0 34 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.915 109.1 58.6 -58.2 -43.5 9.1 88.3 11.8 66 66 A G H X S+ 0 0 40 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.916 106.5 43.7 -55.0 -48.6 7.0 91.1 10.3 67 67 A I H X S+ 0 0 24 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.850 113.9 51.5 -69.8 -29.3 4.4 88.8 8.7 68 68 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.928 106.2 53.8 -72.0 -41.7 4.2 86.6 11.8 69 69 A K H X S+ 0 0 109 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.904 111.9 45.2 -58.4 -41.9 3.6 89.6 14.2 70 70 A E H >< S+ 0 0 132 -4,-1.6 3,-1.0 -5,-0.2 4,-0.4 0.926 112.2 51.5 -68.6 -42.2 0.7 90.7 12.0 71 71 A R H >< S+ 0 0 52 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.921 106.4 53.6 -59.2 -46.3 -0.7 87.2 11.8 72 72 A L H 3< S+ 0 0 3 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.627 100.7 62.4 -66.2 -14.5 -0.7 86.7 15.5 73 73 A G T << S+ 0 0 35 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.563 79.4 112.3 -88.4 -7.7 -2.6 89.9 16.1 74 74 A K S X S- 0 0 111 -3,-1.6 3,-1.6 -4,-0.4 -3,-0.0 -0.237 79.5-116.6 -64.1 152.9 -5.7 88.6 14.2 75 75 A D G > S+ 0 0 142 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.781 109.3 70.7 -62.3 -27.6 -8.9 87.9 16.1 76 76 A D G 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.626 90.4 61.8 -68.4 -7.4 -8.8 84.2 15.2 77 77 A C G X S+ 0 0 1 -3,-1.6 3,-0.7 1,-0.2 -1,-0.3 0.263 70.3 107.7 -97.6 10.6 -5.8 83.8 17.6 78 78 A E T < S+ 0 0 114 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.854 86.5 35.2 -57.0 -38.4 -7.9 84.9 20.6 79 79 A R T 3 S- 0 0 152 1,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.490 130.9 -69.0 -96.4 -3.0 -8.0 81.3 22.0 80 80 A G < - 0 0 0 -3,-0.7 -1,-0.4 -55,-0.1 2,-0.3 -0.851 46.4-127.6 142.0-177.7 -4.5 80.3 20.9 81 81 A F E -a 2 0A 1 -80,-1.5 -78,-2.7 -2,-0.3 2,-0.5 -0.981 10.0-129.6-162.6 163.5 -2.5 79.5 17.8 82 82 A L E -ac 3 28A 0 -55,-2.5 -53,-3.4 -2,-0.3 2,-0.3 -0.919 21.6-161.6-125.8 100.9 -0.3 76.9 16.2 83 83 A L E -ac 4 29A 0 -80,-3.0 -78,-2.3 -2,-0.5 2,-0.4 -0.655 9.7-169.4 -80.7 139.6 3.0 78.3 14.9 84 84 A D E -ac 5 30A 10 -55,-2.6 -53,-1.3 -2,-0.3 -52,-0.5 -0.945 67.9 -2.4-137.4 111.4 4.6 75.9 12.4 85 85 A G S S+ 0 0 4 -80,-1.7 -79,-0.1 -2,-0.4 -55,-0.1 0.581 101.8 130.9 86.0 6.7 8.1 76.4 11.1 86 86 A F + 0 0 0 -81,-0.4 -81,-0.2 -57,-0.2 2,-0.1 -0.962 54.1 30.4-146.3 132.0 8.5 79.7 13.1 87 87 A P + 0 0 5 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.548 64.4 153.2 -78.8 163.8 10.7 80.5 14.8 88 88 A R + 0 0 54 1,-0.2 2,-0.3 -2,-0.1 94,-0.1 0.132 63.4 52.0-140.5 19.8 13.6 78.7 13.2 89 89 A T S > S- 0 0 10 1,-0.1 4,-2.1 92,-0.1 -1,-0.2 -0.964 83.9-120.1-148.4 148.9 16.5 81.1 14.3 90 90 A V H > S+ 0 0 42 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.896 116.0 56.9 -59.5 -38.3 17.3 82.3 17.8 91 91 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 108.0 47.0 -59.1 -41.5 16.8 85.9 16.6 92 92 A Q H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 110.9 52.4 -66.4 -39.5 13.2 84.9 15.5 93 93 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.887 110.3 47.1 -63.4 -42.8 12.6 83.2 18.8 94 94 A E H X S+ 0 0 108 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.885 112.2 50.5 -68.3 -37.2 13.7 86.3 20.8 95 95 A A H X S+ 0 0 17 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.916 107.7 53.2 -66.9 -39.5 11.5 88.5 18.6 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.884 101.8 60.8 -61.6 -38.6 8.6 86.2 19.1 97 97 A E H X S+ 0 0 55 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.955 108.7 42.2 -52.3 -51.6 9.1 86.6 22.9 98 98 A E H X S+ 0 0 137 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.925 113.1 52.4 -62.0 -47.9 8.5 90.3 22.6 99 99 A I H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.910 113.3 43.5 -55.6 -46.5 5.6 89.9 20.2 100 100 A L H X>S+ 0 0 2 -4,-3.0 5,-2.3 2,-0.2 4,-0.8 0.791 111.0 54.3 -71.9 -28.6 3.8 87.5 22.5 101 101 A E H <5S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.873 110.5 47.8 -70.4 -36.8 4.6 89.6 25.6 102 102 A E H <5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 117.1 41.6 -72.0 -32.4 3.0 92.5 23.8 103 103 A Y H <5S- 0 0 80 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.526 107.8-127.3 -90.8 -7.6 -0.1 90.4 22.8 104 104 A G T <5S+ 0 0 18 -4,-0.8 -3,-0.2 -5,-0.1 -4,-0.1 0.833 73.8 120.4 64.6 31.9 -0.1 88.8 26.3 105 105 A K < - 0 0 18 -5,-2.3 -4,-0.1 -6,-0.1 -1,-0.1 -0.597 43.6-172.8-126.5 71.6 -0.1 85.3 24.7 106 106 A P - 0 0 20 0, 0.0 -104,-0.2 0, 0.0 2,-0.1 -0.274 34.5 -91.2 -67.6 150.9 3.0 83.5 26.0 107 107 A I - 0 0 1 1,-0.1 -104,-0.2 -106,-0.1 3,-0.1 -0.351 30.4-169.4 -63.4 130.6 4.0 80.1 24.6 108 108 A D S S- 0 0 41 -106,-2.9 2,-0.3 1,-0.3 -105,-0.2 0.907 71.5 -2.5 -84.7 -49.6 2.6 77.1 26.4 109 109 A Y E -b 3 0A 34 -107,-1.4 -105,-1.8 2,-0.0 2,-0.6 -0.996 48.6-150.7-145.3 150.9 4.7 74.5 24.6 110 110 A V E -bd 4 192A 0 81,-2.4 83,-2.6 -2,-0.3 2,-0.7 -0.991 26.3-157.2-116.5 112.3 7.4 74.2 21.9 111 111 A I E -bd 5 193A 0 -107,-3.2 -105,-2.8 -2,-0.6 2,-0.7 -0.874 3.2-160.7 -99.1 114.4 6.9 70.7 20.5 112 112 A N E -bd 6 194A 8 81,-2.8 83,-2.8 -2,-0.7 2,-1.1 -0.859 7.0-152.0 -96.9 114.6 10.0 69.4 18.8 113 113 A I E - d 0 195A 2 -107,-2.9 2,-0.5 -2,-0.7 -105,-0.5 -0.772 19.1-150.5 -89.9 102.6 9.1 66.5 16.4 114 114 A E E + d 0 196A 97 81,-2.6 83,-2.3 -2,-1.1 84,-0.4 -0.655 27.5 159.5 -83.4 118.9 12.4 64.5 16.4 115 115 A V - 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0 0 41 -5,-2.3 4,-2.3 -6,-0.1 5,-0.2 -0.384 56.0-102.0 -84.2 165.4 -3.2 88.3 32.6 261 44 B P H > S+ 0 0 108 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.892 124.1 53.2 -54.0 -40.1 -0.2 90.6 33.2 262 45 B L H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 108.5 50.6 -60.2 -44.1 0.5 88.9 36.5 263 46 B G H > S+ 0 0 2 -8,-0.4 4,-3.0 1,-0.2 -7,-0.2 0.920 108.5 50.5 -61.4 -46.3 0.5 85.5 34.8 264 47 B L H X S+ 0 0 41 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.887 113.8 45.6 -60.0 -40.0 2.9 86.6 32.1 265 48 B E H < S+ 0 0 116 -4,-2.0 4,-0.4 -5,-0.2 3,-0.3 0.915 116.7 44.6 -68.8 -45.0 5.3 87.9 34.8 266 49 B A H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-1.3 0.868 99.0 73.3 -67.7 -37.2 5.0 84.8 36.9 267 50 B K H 3X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.3 5,-0.3 0.825 88.0 58.4 -46.8 -48.6 5.3 82.3 34.0 268 51 B S H 3< S+ 0 0 57 -4,-0.8 4,-0.4 -3,-0.3 -1,-0.3 0.824 114.9 37.0 -56.6 -33.6 9.0 82.8 33.4 269 52 B Y H X>>S+ 0 0 83 -3,-1.3 5,-2.3 -4,-0.4 3,-0.8 0.919 116.4 51.3 -83.5 -47.6 9.8 81.7 37.0 270 53 B I H ><5S+ 0 0 23 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.884 104.7 56.2 -56.6 -44.3 7.2 79.1 37.4 271 54 B D T 3<5S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.739 112.1 42.9 -61.7 -28.2 8.1 77.2 34.2 272 55 B K T <45S- 0 0 66 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.487 117.3-111.2 -94.6 -9.3 11.7 76.8 35.4 273 56 B G T <<5S+ 0 0 6 -3,-0.9 -3,-0.2 -4,-0.8 118,-0.2 0.598 72.4 137.7 88.0 10.3 10.7 75.9 38.9 274 57 B E < - 0 0 79 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.459 61.4 -97.7 -84.1 160.9 12.1 79.1 40.4 275 58 B L - 0 0 40 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.548 35.9-117.2 -76.3 144.2 10.3 81.2 43.0 276 59 B V - 0 0 12 -2,-0.2 -10,-0.1 1,-0.1 -1,-0.1 -0.618 50.6 -84.2 -76.0 142.1 8.2 84.1 41.8 277 60 B P > - 0 0 56 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.069 36.2-120.7 -47.9 147.7 9.7 87.4 43.2 278 61 B D H > S+ 0 0 58 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.900 102.4 60.8 -58.1 -48.6 8.6 88.4 46.7 279 62 B E H > S+ 0 0 176 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 110.9 36.9 -50.9 -54.4 7.1 91.8 45.9 280 63 B V H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 118.5 51.9 -67.6 -35.9 4.4 90.6 43.5 281 64 B T H X S+ 0 0 6 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.938 111.9 44.2 -65.5 -47.7 3.8 87.5 45.5 282 65 B I H X S+ 0 0 36 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.913 112.3 57.5 -61.5 -41.6 3.3 89.3 48.8 283 66 B G H X S+ 0 0 37 -4,-2.3 4,-1.8 -5,-0.4 -2,-0.2 0.894 105.6 45.4 -57.6 -45.1 1.2 91.8 46.8 284 67 B I H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.829 113.7 51.4 -71.5 -27.5 -1.3 89.3 45.5 285 68 B V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.923 107.1 51.8 -72.3 -44.7 -1.6 87.7 48.9 286 69 B K H X S+ 0 0 93 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.905 113.4 45.9 -57.4 -42.1 -2.3 91.1 50.6 287 70 B E H >< S+ 0 0 149 -4,-1.8 3,-0.9 -5,-0.2 4,-0.3 0.943 113.3 48.4 -65.2 -49.7 -5.1 91.7 48.1 288 71 B R H >< S+ 0 0 41 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.859 107.9 53.6 -59.6 -40.6 -6.6 88.3 48.4 289 72 B L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.611 98.5 66.0 -73.8 -11.4 -6.7 88.3 52.2 290 73 B G T << S+ 0 0 37 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.602 78.4 110.4 -84.2 -11.2 -8.5 91.6 52.2 291 74 B K S X S- 0 0 101 -3,-1.2 3,-1.9 -4,-0.3 4,-0.1 -0.241 81.2-116.1 -64.0 151.6 -11.6 90.0 50.6 292 75 B D G > S+ 0 0 139 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.777 109.9 69.3 -61.6 -26.2 -14.7 89.6 52.7 293 76 B D G 3 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.589 93.2 60.3 -70.3 -5.2 -14.6 85.8 52.6 294 77 B C G X S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.2 -1,-0.3 0.329 72.9 101.8-100.2 5.4 -11.5 85.9 54.8 295 78 B E T < S+ 0 0 109 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.865 88.2 36.6 -57.9 -39.6 -13.3 87.6 57.6 296 79 B R T 3 S- 0 0 194 1,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.295 129.9 -64.1 -99.1 9.3 -13.6 84.4 59.7 297 80 B G < - 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0 0 43 -5,-2.6 -4,-0.1 -6,-0.1 3,-0.1 -0.407 42.9-177.0-138.4 61.5 -6.0 88.3 61.7 323 106 B P - 0 0 84 0, 0.0 -104,-0.3 0, 0.0 -9,-0.1 -0.224 38.9 -90.4 -61.9 149.0 -2.8 86.9 63.2 324 107 B I - 0 0 20 1,-0.1 -104,-0.2 -106,-0.1 3,-0.1 -0.293 29.7-164.5 -59.7 140.0 -1.8 83.4 62.4 325 108 B D - 0 0 61 -106,-3.2 2,-0.3 1,-0.4 -105,-0.2 0.899 69.8 -18.0 -88.9 -59.9 -3.0 80.7 64.8 326 109 B Y E -j 220 0D 86 -107,-1.0 -105,-1.4 2,-0.0 2,-0.5 -0.986 52.1-136.4-147.4 157.0 -0.7 77.9 63.6 327 110 B V E -jl 221 409D 0 81,-2.8 83,-3.0 -2,-0.3 2,-0.6 -0.974 21.2-152.0-113.7 122.4 1.5 76.9 60.7 328 111 B I E -jl 222 410D 1 -107,-3.2 -105,-2.7 -2,-0.5 2,-0.7 -0.863 5.6-162.2-100.2 117.5 1.2 73.3 59.7 329 112 B N E -jl 223 411D 10 81,-2.7 83,-2.9 -2,-0.6 2,-1.1 -0.894 9.5-149.0-100.1 116.2 4.3 71.9 58.1 330 113 B I E - l 0 412D 2 -107,-2.9 -105,-0.5 -2,-0.7 2,-0.5 -0.765 18.7-151.4 -90.0 101.0 3.6 68.7 56.2 331 114 B E E + l 0 413D 92 81,-2.6 83,-3.0 -2,-1.1 84,-0.5 -0.627 26.8 158.0 -81.8 121.5 6.8 66.7 56.6 332 115 B V - 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