==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-APR-13 4KAH . COMPND 2 MOLECULE: PROBABLE SUGAR KINASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR V.N.MALASHKEVICH,R.BHOSLE,R.TORO,B.HILLERICH,A.GIZZI,S.GARFO . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 7.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.4 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 2 2 2 2 0 2 2 4 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 6 0 2 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 . 1 0 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 1 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 X 0 0 248 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 136.3 35.2 -22.8 -21.7 2 0 A T - 0 0 44 1,-0.1 148,-0.1 0, 0.0 147,-0.1 -0.804 360.0-124.5-111.3 154.5 32.5 -21.2 -23.8 3 1 A R S S+ 0 0 105 -2,-0.3 2,-0.4 146,-0.2 147,-0.2 0.864 90.9 29.2 -67.3 -36.4 32.7 -17.8 -25.4 4 2 A F E -a 150 0A 17 145,-2.5 147,-2.1 142,-0.2 71,-0.2 -0.966 48.2-164.5-131.4 141.7 29.6 -16.4 -23.7 5 3 A D E S+ 0 0 14 69,-2.2 147,-1.7 -2,-0.4 2,-0.4 0.891 87.8 16.2 -76.9 -50.9 27.7 -16.9 -20.5 6 4 A V E -ab 152 75A 0 68,-2.0 70,-2.0 145,-0.2 2,-0.5 -0.976 56.4-171.2-134.9 121.5 24.5 -15.1 -21.8 7 5 A L E -ab 153 76A 0 145,-2.9 147,-3.2 -2,-0.4 2,-0.3 -0.941 18.0-166.2 -97.9 131.9 23.3 -14.1 -25.2 8 6 A T E -ab 154 77A 0 68,-2.5 70,-2.1 -2,-0.5 2,-0.4 -0.903 6.4-162.8-115.4 154.6 20.2 -11.9 -25.1 9 7 A V E +ab 155 78A 2 145,-2.0 147,-1.4 -2,-0.3 2,-0.3 -0.999 30.5 119.6-136.0 127.1 17.9 -11.1 -28.0 10 8 A G - 0 0 0 68,-2.0 2,-0.6 -2,-0.4 70,-0.3 -0.958 63.0 -52.4-166.8-176.9 15.5 -8.2 -28.0 11 9 A N - 0 0 8 -2,-0.3 2,-0.7 68,-0.1 51,-0.3 -0.677 51.2-134.0 -75.0 117.2 14.1 -4.9 -29.4 12 10 A A + 0 0 0 -2,-0.6 101,-0.6 68,-0.3 2,-0.4 -0.649 40.9 168.0 -79.4 113.5 17.0 -2.5 -29.7 13 11 A I E -i 113 0B 16 -2,-0.7 45,-3.0 45,-0.3 2,-0.5 -0.965 35.9-145.4-134.8 139.4 15.6 0.8 -28.2 14 12 A V E -iJ 114 57B 0 99,-2.0 101,-1.9 -2,-0.4 2,-0.3 -0.927 29.3-134.7 -99.7 128.4 16.8 4.2 -27.0 15 13 A D E -iJ 115 56B 7 41,-3.0 41,-1.9 -2,-0.5 2,-0.5 -0.635 12.0-160.7 -85.6 141.9 14.8 5.5 -24.1 16 14 A I E -iJ 116 55B 12 99,-3.0 101,-3.0 -2,-0.3 2,-0.4 -0.987 24.7-162.6-119.5 110.9 13.5 9.1 -23.9 17 15 A I E +iJ 117 54B 10 37,-3.4 37,-1.9 -2,-0.5 2,-0.3 -0.871 19.9 156.5-114.5 130.0 12.8 9.7 -20.2 18 16 A S E -i 118 0B 14 99,-2.3 101,-2.7 -2,-0.4 2,-0.3 -0.985 36.4-120.1-142.3 153.0 10.7 12.3 -18.4 19 17 A R E +i 119 0B 120 -2,-0.3 2,-0.3 33,-0.3 32,-0.2 -0.723 37.2 176.2 -86.7 143.0 8.9 12.8 -15.1 20 18 A C - 0 0 19 99,-2.2 101,-0.4 -2,-0.3 2,-0.1 -0.955 28.8-108.3-139.7 163.3 5.1 13.4 -15.3 21 19 A N >> - 0 0 91 -2,-0.3 4,-0.8 99,-0.1 3,-0.7 -0.425 38.2-105.2 -82.8 168.2 2.1 13.9 -13.0 22 20 A D H >> S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.886 118.4 59.7 -61.6 -41.0 -0.6 11.3 -12.6 23 21 A Q H 3> S+ 0 0 95 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.800 93.3 66.7 -58.9 -32.4 -3.1 13.4 -14.7 24 22 A F H <> S+ 0 0 31 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.885 100.1 49.1 -58.5 -41.5 -0.7 13.3 -17.7 25 23 A L H <<>S+ 0 0 7 -3,-0.8 5,-2.4 -4,-0.8 4,-0.4 0.917 113.9 45.6 -64.0 -44.0 -1.2 9.5 -18.1 26 24 A I H ><5S+ 0 0 112 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.933 111.8 51.0 -65.4 -46.5 -5.0 9.9 -17.9 27 25 A D H 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 117.2 40.7 -61.0 -32.0 -5.2 12.9 -20.3 28 26 A N T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.325 107.1-122.4-102.3 7.9 -3.1 11.0 -22.9 29 27 A Q T < 5 + 0 0 176 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.2 0.889 54.3 159.4 50.9 45.0 -4.7 7.6 -22.5 30 28 A I < - 0 0 9 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.865 44.6-124.0 -95.7 124.8 -1.4 6.0 -21.6 31 29 A T > - 0 0 64 -2,-0.5 3,-1.5 96,-0.1 96,-0.2 -0.609 33.2-121.6 -72.4 117.8 -1.8 2.7 -19.7 32 30 A K T 3 S+ 0 0 90 -2,-0.5 94,-0.1 1,-0.2 3,-0.1 -0.341 87.5 6.6 -66.5 139.5 0.2 3.1 -16.4 33 31 A A T 3 S+ 0 0 37 1,-0.2 -1,-0.2 -2,-0.0 2,-0.2 0.456 111.2 106.0 73.2 5.5 3.1 0.7 -15.7 34 32 A A S < S- 0 0 4 -3,-1.5 93,-2.3 155,-0.1 2,-0.7 -0.634 77.9-109.5-114.5 166.3 2.7 -0.9 -19.2 35 33 A X E -k 127 0B 15 -2,-0.2 2,-0.6 91,-0.2 93,-0.2 -0.907 36.0-163.9 -93.7 113.0 4.5 -1.0 -22.5 36 34 A N E -k 128 0B 27 91,-3.1 93,-2.2 -2,-0.7 2,-0.2 -0.901 10.1-142.2-102.6 111.7 2.2 0.9 -24.9 37 35 A L E -k 129 0B 73 -2,-0.6 2,-0.3 91,-0.2 93,-0.2 -0.556 25.7-177.6 -74.1 137.2 3.0 0.3 -28.6 38 36 A I - 0 0 18 91,-2.5 93,-0.4 -2,-0.2 2,-0.1 -0.963 21.3-127.7-135.9 152.1 2.6 3.4 -30.8 39 37 A D > - 0 0 98 -2,-0.3 4,-2.3 91,-0.1 5,-0.2 -0.328 42.0 -92.0 -87.2 178.5 2.9 4.4 -34.5 40 38 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 124.1 51.8 -59.6 -40.9 5.0 7.2 -35.9 41 39 A E H > S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 112.2 44.9 -65.6 -44.4 2.2 9.8 -35.8 42 40 A R H > S+ 0 0 77 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.856 109.0 57.8 -68.2 -34.9 1.4 9.1 -32.1 43 41 A A H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 108.9 45.5 -59.4 -44.9 5.2 9.1 -31.3 44 42 A E H X S+ 0 0 134 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.908 114.3 49.0 -64.0 -42.9 5.4 12.7 -32.7 45 43 A L H X S+ 0 0 69 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.952 112.9 45.5 -62.1 -54.0 2.2 13.7 -30.8 46 44 A L H >X S+ 0 0 0 -4,-3.2 4,-0.9 1,-0.2 3,-0.8 0.901 111.8 52.3 -57.9 -42.4 3.3 12.3 -27.5 47 45 A Y H >< S+ 0 0 37 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.907 103.2 58.4 -61.5 -40.3 6.8 13.8 -27.9 48 46 A S H 3< S+ 0 0 85 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.757 112.1 41.8 -60.4 -24.6 5.2 17.2 -28.6 49 47 A R H << S+ 0 0 139 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.535 95.3 100.8 -98.7 -10.7 3.5 17.0 -25.2 50 48 A X << - 0 0 5 -3,-0.9 3,-0.1 -4,-0.9 -30,-0.1 -0.466 69.6-125.1 -77.5 145.6 6.5 15.6 -23.2 51 49 A G - 0 0 27 -32,-0.2 377,-0.1 1,-0.2 -1,-0.1 -0.049 55.4 -50.4 -72.1-176.9 8.6 17.8 -21.1 52 50 A P S S- 0 0 53 0, 0.0 -33,-0.3 0, 0.0 2,-0.2 -0.374 74.3-161.6 -54.4 137.2 12.4 18.2 -21.3 53 51 A A - 0 0 12 367,-0.2 335,-0.5 -3,-0.1 2,-0.4 -0.718 22.3-131.9-127.1 170.4 13.9 14.7 -21.4 54 52 A L E -J 17 0B 16 -37,-1.9 -37,-3.4 -2,-0.2 2,-0.4 -0.940 22.1-141.9-117.2 144.6 17.0 12.6 -20.9 55 53 A E E +JL 16 386B 1 331,-2.7 331,-2.8 -2,-0.4 2,-0.3 -0.898 26.4 160.6-109.9 139.6 18.1 9.9 -23.4 56 54 A A E -J 15 0B 12 -41,-1.9 -41,-3.0 -2,-0.4 329,-0.1 -0.976 45.6 -95.5-150.9 142.6 19.6 6.5 -22.5 57 55 A S E +J 14 0B 5 327,-0.5 -43,-0.2 -2,-0.3 258,-0.1 -0.318 55.6 159.2 -54.9 134.7 20.1 3.2 -24.2 58 56 A G + 0 0 0 -45,-3.0 -45,-0.3 255,-0.1 -1,-0.1 -0.195 19.6 138.8-131.5-137.3 17.3 0.8 -23.4 59 57 A G > - 0 0 4 -47,-0.2 4,-3.0 3,-0.2 5,-0.2 0.592 57.6-113.8 81.5 122.2 15.6 -2.3 -24.7 60 58 A S H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.926 116.6 38.7 -54.0 -55.8 14.7 -5.0 -22.1 61 59 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.819 113.5 57.7 -63.9 -32.7 17.2 -7.6 -23.3 62 60 A G H > S+ 0 0 0 -51,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.952 107.5 47.0 -60.7 -50.5 19.8 -4.9 -24.0 63 61 A N H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.901 111.6 51.4 -56.7 -45.3 19.6 -3.9 -20.4 64 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.934 110.5 47.8 -60.4 -48.1 19.9 -7.5 -19.3 65 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.921 111.7 50.2 -56.3 -47.8 23.0 -8.1 -21.4 66 64 A A H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.894 109.5 52.6 -58.0 -41.8 24.6 -4.9 -20.1 67 65 A G H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.870 107.0 50.8 -64.8 -39.7 23.8 -6.0 -16.5 68 66 A V H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-1.0 0.940 112.3 47.2 -60.7 -46.7 25.5 -9.4 -17.1 69 67 A A H ><5S+ 0 0 15 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.902 109.9 53.2 -61.5 -43.1 28.6 -7.7 -18.4 70 68 A N H 3<5S+ 0 0 23 -4,-2.5 251,-0.8 1,-0.2 -1,-0.2 0.931 107.0 52.4 -58.5 -45.9 28.6 -5.2 -15.5 71 69 A L H 3<5S- 0 0 6 -4,-2.3 -1,-0.2 249,-0.2 -2,-0.2 0.732 127.9 -99.9 -61.5 -24.2 28.5 -8.1 -13.1 72 70 A G T <<5S+ 0 0 45 -4,-1.0 -3,-0.2 -3,-0.5 -2,-0.1 0.390 81.1 127.7 117.6 0.1 31.6 -9.7 -14.8 73 71 A G < - 0 0 5 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.273 65.6-105.9 -79.2 169.2 29.9 -12.3 -17.0 74 72 A K - 0 0 124 212,-0.1 -69,-2.2 -2,-0.1 -68,-2.0 -0.896 46.5-178.6-103.3 115.2 30.5 -12.6 -20.8 75 73 A A E -b 6 0A 4 -2,-0.6 25,-2.4 23,-0.4 2,-0.3 -0.826 17.5-174.0-120.6 155.0 27.5 -11.3 -22.7 76 74 A A E -bc 7 100A 0 -70,-2.0 -68,-2.5 -2,-0.3 2,-0.4 -0.931 10.9-156.1-136.3 162.1 26.3 -10.9 -26.3 77 75 A Y E -bc 8 101A 0 23,-2.2 25,-0.6 -2,-0.3 2,-0.5 -0.996 11.2-161.7-146.7 136.3 23.3 -9.3 -27.9 78 76 A F E +b 9 0A 3 -70,-2.1 -68,-2.0 -2,-0.4 2,-0.3 -0.982 37.2 127.9-112.4 128.7 21.2 -9.5 -31.1 79 77 A G - 0 0 0 -2,-0.5 2,-0.6 -70,-0.2 24,-0.2 -0.874 48.7-119.1-174.8 146.1 19.0 -6.5 -31.9 80 78 A N + 0 0 1 -70,-0.3 33,-0.3 -2,-0.3 -68,-0.3 -0.826 29.5 170.6-105.3 120.8 18.4 -4.3 -34.9 81 79 A V - 0 0 0 -2,-0.6 25,-0.5 22,-0.3 26,-0.2 -0.628 32.6-107.7-106.2 174.2 19.0 -0.5 -35.0 82 80 A A - 0 0 0 -2,-0.2 2,-1.9 23,-0.2 26,-0.3 -0.572 35.9 -99.8 -93.1 164.8 19.0 1.9 -38.0 83 81 A A S S+ 0 0 56 24,-2.4 2,-0.3 -2,-0.2 25,-0.1 -0.581 89.2 101.2 -81.6 72.0 22.0 3.6 -39.5 84 82 A D S > S- 0 0 21 -2,-1.9 4,-2.2 23,-0.1 5,-0.2 -0.846 90.7 -84.8-146.0 180.0 21.3 6.8 -37.6 85 83 A Q H > S+ 0 0 38 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 125.9 49.7 -62.2 -43.7 22.4 8.8 -34.5 86 84 A L H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 112.1 49.7 -59.9 -39.0 20.1 6.9 -32.1 87 85 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.857 109.2 51.1 -68.4 -34.9 21.5 3.7 -33.6 88 86 A D H X S+ 0 0 95 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.903 110.4 49.7 -70.4 -39.2 25.0 4.9 -33.1 89 87 A I H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.947 112.3 47.6 -59.4 -49.2 24.2 5.8 -29.5 90 88 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.940 113.2 47.4 -59.0 -49.8 22.7 2.3 -28.9 91 89 A T H X S+ 0 0 38 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.916 113.5 48.6 -60.0 -45.1 25.7 0.6 -30.5 92 90 A H H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.939 110.9 48.8 -58.3 -51.5 28.2 2.6 -28.6 93 91 A D H X S+ 0 0 4 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.890 114.3 43.0 -64.1 -42.7 26.6 2.1 -25.1 94 92 A I H <>S+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.2 3,-0.5 0.941 117.9 44.9 -72.2 -44.2 26.1 -1.7 -25.3 95 93 A R H ><5S+ 0 0 140 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.856 108.4 59.0 -63.4 -35.2 29.6 -2.3 -26.8 96 94 A A H 3<5S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 99.9 56.9 -65.1 -27.9 31.2 0.1 -24.3 97 95 A Q T 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.534 126.0-103.9 -78.8 -8.2 29.8 -2.1 -21.5 98 96 A G T < 5S+ 0 0 57 -3,-1.5 -23,-0.4 1,-0.3 2,-0.4 0.672 73.2 143.6 90.4 21.0 31.8 -5.0 -23.0 99 97 A V < - 0 0 4 -5,-1.7 2,-0.5 -25,-0.1 -1,-0.3 -0.786 56.0-119.3 -89.1 133.8 28.8 -6.8 -24.7 100 98 A H E +c 76 0A 53 -25,-2.4 -23,-2.2 -2,-0.4 2,-0.4 -0.633 43.6 169.3 -70.7 119.1 29.5 -8.4 -28.0 101 99 A Y E +c 77 0A 5 -2,-0.5 -23,-0.1 -25,-0.2 -6,-0.1 -0.912 15.5 148.9-143.1 111.8 27.1 -6.6 -30.4 102 100 A Q + 0 0 74 -25,-0.6 2,-0.4 -2,-0.4 -24,-0.1 0.250 20.6 134.7-131.2 9.9 27.5 -7.1 -34.2 103 101 A T - 0 0 10 -26,-0.4 -22,-0.3 -24,-0.2 38,-0.1 -0.528 49.5-139.6 -67.1 118.0 23.9 -6.8 -35.7 104 102 A K - 0 0 130 -2,-0.4 2,-0.1 -24,-0.1 -21,-0.1 -0.581 13.1-115.9 -83.4 139.1 24.4 -4.6 -38.7 105 103 A P - 0 0 54 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.427 14.1-146.1 -69.2 152.4 21.8 -1.9 -39.5 106 104 A K - 0 0 83 -25,-0.5 2,-0.3 1,-0.3 -24,-0.1 0.478 66.2 -49.9 -99.5 -4.3 19.9 -2.4 -42.8 107 105 A G - 0 0 30 -26,-0.2 -24,-2.4 3,-0.1 -1,-0.3 -0.929 64.4 -77.6 157.0-174.0 19.6 1.3 -43.7 108 106 A A S S+ 0 0 36 -2,-0.3 4,-0.1 -26,-0.3 -26,-0.1 0.598 92.1 102.8 -88.9 -12.4 18.4 4.6 -42.1 109 107 A F S S+ 0 0 171 2,-0.1 -1,-0.1 23,-0.1 3,-0.0 -0.992 72.9 30.6-136.4 130.4 14.7 3.8 -42.5 110 108 A P S S- 0 0 39 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.539 104.7-126.7 -63.8 156.1 12.7 2.9 -40.5 111 109 A P - 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0 0 61 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.338 52.4-111.3 -91.9 175.6 22.8 -24.9 -24.2 182 180 A E E -d 152 0A 56 -31,-2.3 -29,-2.6 -32,-0.2 2,-0.4 -0.866 16.2-143.1-115.5 151.0 19.7 -23.5 -22.4 183 181 A X E -d 153 0A 0 -2,-0.3 27,-2.6 -31,-0.2 28,-1.8 -0.886 18.9-177.9-109.3 140.7 17.0 -21.1 -23.6 184 182 A S E -de 154 211A 0 -31,-3.0 -29,-2.1 -2,-0.4 2,-0.3 -0.968 3.3-174.8-136.3 149.6 15.3 -18.5 -21.4 185 183 A X E -de 155 212A 0 26,-2.2 28,-2.6 -2,-0.3 2,-0.4 -0.984 17.5-141.4-140.4 154.6 12.5 -16.0 -21.9 186 184 A T E -de 156 213A 13 -31,-2.0 -29,-1.8 -2,-0.3 28,-0.2 -0.923 18.2-137.4-107.0 142.8 10.9 -13.1 -20.0 187 185 A L - 0 0 0 26,-2.5 2,-2.7 -2,-0.4 6,-0.2 0.583 34.5-164.1 -73.5 -10.8 7.1 -12.6 -20.3 188 186 A S + 0 0 10 25,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.230 54.9 5.5 71.0 -54.6 8.0 -8.9 -20.6 189 187 A D > - 0 0 6 -2,-2.7 4,-2.5 -3,-0.1 5,-0.2 -0.974 65.9-120.6-167.3 141.5 4.6 -7.2 -19.9 190 188 A S H > S+ 0 0 32 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.828 115.8 47.5 -64.9 -32.0 1.1 -8.4 -18.9 191 189 A F H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.833 109.0 54.7 -76.7 -32.5 -0.5 -7.0 -22.0 192 190 A C H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.923 108.6 49.2 -61.8 -44.7 2.2 -8.6 -24.1 193 191 A V H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.909 107.7 54.1 -58.8 -43.5 1.2 -11.9 -22.4 194 192 A D H < S+ 0 0 87 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.873 110.1 48.2 -60.0 -35.6 -2.4 -11.2 -23.2 195 193 A R H < S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 127.9 21.8 -70.7 -35.5 -1.5 -10.8 -26.9 196 194 A Y H X S+ 0 0 39 -4,-1.8 4,-2.9 1,-0.1 5,-0.2 0.012 77.9 131.7-127.3 26.2 0.6 -14.0 -27.1 197 195 A R H X S+ 0 0 38 -4,-0.8 4,-2.4 -3,-0.4 5,-0.2 0.888 77.5 44.9 -49.5 -53.7 -0.6 -16.2 -24.2 198 196 A G H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 115.1 48.7 -60.9 -42.1 -1.1 -19.4 -26.3 199 197 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.894 111.1 49.4 -66.3 -41.5 2.3 -18.9 -28.1 200 198 A F H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.933 111.3 48.7 -64.2 -45.7 4.2 -18.3 -24.8 201 199 A L H X S+ 0 0 23 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.876 110.7 52.2 -59.9 -38.7 2.6 -21.4 -23.1 202 200 A D H X S+ 0 0 95 -4,-1.9 4,-2.2 -5,-0.2 6,-0.3 0.868 104.7 55.2 -67.4 -37.2 3.5 -23.5 -26.2 203 201 A L H <>S+ 0 0 6 -4,-2.0 6,-1.6 2,-0.2 5,-1.3 0.908 115.5 39.9 -57.6 -41.1 7.2 -22.2 -26.1 204 202 A X H ><5S+ 0 0 6 -4,-1.7 3,-1.3 4,-0.2 -2,-0.2 0.954 116.7 46.7 -75.9 -50.4 7.3 -23.5 -22.5 205 203 A R H 3<5S+ 0 0 146 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.791 111.1 52.0 -66.6 -29.6 5.4 -26.8 -22.9 206 204 A S T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.560 113.5-118.6 -81.4 -9.7 7.3 -27.8 -26.1 207 205 A G T < 5S+ 0 0 24 -3,-1.3 -3,-0.2 -4,-0.3 -24,-0.1 0.584 79.8 124.6 80.7 12.0 10.6 -27.3 -24.2 208 206 A K S - 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