==== 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 19-APR-13 4K93 . COMPND 2 MOLECULE: SUGAR KINASE; . 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) . 25817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 500 75.8 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 . 48 7.3 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 . 52 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.6 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 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 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,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 126.7 35.1 -22.7 -21.9 2 0 A T - 0 0 38 1,-0.0 148,-0.1 2,-0.0 3,-0.1 -0.265 360.0-121.8 -86.1-174.5 32.2 -21.4 -24.0 3 1 A R S S+ 0 0 104 146,-1.7 2,-0.4 1,-0.3 147,-0.2 0.691 87.9 33.4-102.2 -27.3 32.6 -17.8 -25.3 4 2 A F E -a 150 0A 14 145,-2.5 147,-2.3 142,-0.1 -1,-0.3 -0.975 49.5-161.9-133.0 143.1 29.5 -16.3 -23.7 5 3 A D E S+ 0 0 14 69,-2.4 147,-1.5 -2,-0.4 2,-0.4 0.894 88.0 14.3 -77.6 -48.6 27.5 -16.8 -20.5 6 4 A V E -ab 152 75A 0 68,-2.0 70,-2.1 145,-0.2 2,-0.5 -0.988 57.0-169.2-140.1 119.7 24.4 -15.0 -21.7 7 5 A L E -ab 153 76A 0 145,-2.8 147,-3.1 -2,-0.4 2,-0.3 -0.926 18.7-165.6 -96.2 130.4 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 -0.902 6.7-163.9-116.1 155.4 20.2 -11.8 -25.1 9 7 A V E +ab 155 78A 2 145,-1.9 147,-1.5 -2,-0.3 2,-0.3 -0.998 29.7 118.5-138.7 126.7 17.9 -11.0 -28.0 10 8 A G - 0 0 0 68,-2.0 2,-0.6 -2,-0.4 70,-0.3 -0.956 63.6 -51.7-165.6-175.3 15.5 -8.1 -28.0 11 9 A N - 0 0 8 -2,-0.3 2,-0.6 68,-0.1 51,-0.3 -0.694 51.4-134.7 -75.1 114.8 14.2 -4.8 -29.5 12 10 A A + 0 0 0 -2,-0.6 101,-0.6 68,-0.3 2,-0.3 -0.657 40.9 165.9 -74.9 112.2 17.1 -2.4 -29.7 13 11 A I E -i 113 0B 16 -2,-0.6 45,-2.6 45,-0.3 2,-0.5 -0.958 36.7-143.3-135.3 144.2 15.7 0.9 -28.3 14 12 A V E -iJ 114 57B 0 99,-1.8 101,-1.9 -2,-0.3 2,-0.3 -0.949 29.0-134.7-103.2 130.8 16.9 4.3 -27.0 15 13 A D E -iJ 115 56B 6 41,-3.0 41,-1.9 -2,-0.5 2,-0.5 -0.640 11.9-161.0 -88.8 144.3 14.8 5.6 -24.1 16 14 A I E -iJ 116 55B 11 99,-2.7 101,-2.8 -2,-0.3 2,-0.4 -0.989 25.0-162.4-124.3 111.7 13.6 9.2 -23.9 17 15 A I E +iJ 117 54B 9 37,-3.1 37,-1.8 -2,-0.5 2,-0.3 -0.838 19.9 156.8-116.3 133.3 12.8 9.8 -20.2 18 16 A S E -i 118 0B 18 99,-2.2 101,-2.8 -2,-0.4 2,-0.3 -0.991 37.0-117.9-146.8 152.2 10.8 12.4 -18.4 19 17 A R E +i 119 0B 114 -2,-0.3 2,-0.3 99,-0.2 32,-0.3 -0.644 38.0 176.4 -78.5 144.5 8.9 12.9 -15.1 20 18 A C - 0 0 16 99,-2.1 101,-0.3 -2,-0.3 2,-0.1 -0.967 28.8-109.8-142.8 162.6 5.2 13.5 -15.3 21 19 A N >> - 0 0 92 -2,-0.3 4,-0.8 99,-0.1 3,-0.6 -0.407 38.0-104.8 -81.6 168.2 2.2 14.0 -13.0 22 20 A D H 3> S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.867 118.7 58.5 -62.1 -37.4 -0.6 11.4 -12.7 23 21 A Q H 3> S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.798 93.6 66.6 -65.6 -29.7 -3.0 13.4 -14.7 24 22 A F H <> S+ 0 0 31 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.913 100.2 50.1 -57.8 -43.2 -0.7 13.5 -17.8 25 23 A L H <>S+ 0 0 6 -4,-0.8 5,-2.6 -3,-0.5 4,-0.3 0.917 114.1 44.2 -61.4 -44.2 -1.1 9.7 -18.2 26 24 A I H ><5S+ 0 0 110 -4,-1.2 3,-1.3 1,-0.2 -2,-0.2 0.932 111.3 52.2 -67.2 -47.0 -4.9 10.0 -18.1 27 25 A D H 3<5S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 117.2 40.0 -61.8 -28.4 -5.1 13.0 -20.4 28 26 A N T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.313 108.1-121.5-106.2 6.9 -3.0 11.2 -23.0 29 27 A Q T < 5 + 0 0 171 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.888 54.1 159.5 54.6 43.9 -4.6 7.8 -22.6 30 28 A I < - 0 0 10 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.875 44.6-122.9 -96.2 126.0 -1.3 6.1 -21.7 31 29 A T > - 0 0 62 -2,-0.5 3,-1.5 96,-0.1 96,-0.2 -0.594 32.6-120.9 -73.5 117.8 -1.7 2.8 -19.8 32 30 A K T 3 S+ 0 0 91 -2,-0.5 94,-0.1 1,-0.2 3,-0.1 -0.343 88.3 4.9 -64.0 138.5 0.2 3.2 -16.6 33 31 A A T 3 S+ 0 0 35 1,-0.2 -1,-0.2 -2,-0.0 2,-0.2 0.435 110.8 108.4 72.1 3.8 3.1 0.8 -15.9 34 32 A A S < S- 0 0 3 -3,-1.5 93,-2.3 155,-0.1 2,-0.7 -0.602 76.4-112.2-109.8 167.2 2.7 -0.7 -19.3 35 33 A X E -k 127 0B 13 -2,-0.2 2,-0.6 91,-0.2 93,-0.2 -0.901 35.9-163.5 -94.4 114.9 4.5 -0.9 -22.6 36 34 A N E -k 128 0B 25 91,-3.1 93,-2.3 -2,-0.7 2,-0.2 -0.923 10.2-140.7-104.7 112.3 2.3 1.0 -25.0 37 35 A L E -k 129 0B 75 -2,-0.6 2,-0.3 91,-0.2 93,-0.2 -0.547 26.5-176.8 -72.0 138.0 3.0 0.5 -28.8 38 36 A I - 0 0 18 91,-2.5 93,-0.4 -2,-0.2 2,-0.1 -0.972 21.4-128.8-138.2 150.2 2.8 3.6 -30.9 39 37 A D > - 0 0 99 -2,-0.3 4,-2.3 91,-0.1 5,-0.1 -0.308 41.8 -94.1 -87.3 177.5 3.0 4.6 -34.6 40 38 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.874 124.0 52.3 -65.6 -37.9 5.2 7.5 -35.9 41 39 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 111.6 45.6 -61.6 -47.7 2.3 10.0 -35.8 42 40 A R H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.834 108.5 58.0 -65.6 -34.4 1.5 9.2 -32.2 43 41 A A H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.942 108.1 45.6 -60.4 -46.4 5.3 9.4 -31.4 44 42 A E H X S+ 0 0 137 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.895 113.9 49.9 -63.9 -41.5 5.4 12.9 -32.7 45 43 A L H X S+ 0 0 65 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.963 113.4 44.4 -59.6 -54.2 2.2 13.9 -30.8 46 44 A L H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.8 0.904 111.5 53.5 -61.6 -40.5 3.4 12.4 -27.5 47 45 A Y H >< S+ 0 0 33 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.900 102.4 58.5 -61.6 -37.4 6.8 14.0 -27.9 48 46 A S H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.724 110.6 43.7 -63.3 -21.8 5.3 17.4 -28.4 49 47 A R H << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.8 2,-0.2 0.507 94.8 99.3 -99.9 -10.5 3.6 17.1 -25.0 50 48 A X S << S- 0 0 2 -3,-1.0 3,-0.1 -4,-0.8 -30,-0.1 -0.551 70.1-128.2 -80.0 142.0 6.7 15.7 -23.2 51 49 A G - 0 0 26 -32,-0.3 377,-0.1 -2,-0.2 -1,-0.1 -0.027 55.1 -49.2 -71.6-175.7 8.8 18.0 -21.1 52 50 A P S S- 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.309 74.5-161.5 -52.9 139.9 12.6 18.3 -21.4 53 51 A A - 0 0 13 367,-0.2 335,-0.5 -3,-0.1 2,-0.3 -0.758 21.8-131.7-129.0 171.1 14.0 14.8 -21.4 54 52 A L E -J 17 0B 16 -37,-1.8 -37,-3.1 -2,-0.2 2,-0.4 -0.936 22.5-141.0-118.3 145.4 17.1 12.7 -20.9 55 53 A E E +JL 16 386B 0 331,-2.7 331,-2.7 -2,-0.3 2,-0.3 -0.905 25.9 162.1-112.3 141.0 18.2 9.9 -23.4 56 54 A A E -J 15 0B 13 -41,-1.9 -41,-3.0 -2,-0.4 329,-0.1 -0.973 44.8 -98.0-152.5 137.6 19.7 6.6 -22.4 57 55 A S E +J 14 0B 5 327,-0.5 -43,-0.2 -2,-0.3 2,-0.1 -0.313 55.2 159.0 -53.4 134.6 20.2 3.3 -24.2 58 56 A G + 0 0 0 -45,-2.6 -45,-0.3 255,-0.1 -1,-0.1 -0.207 20.2 140.9-132.0-136.8 17.4 0.9 -23.3 59 57 A G > - 0 0 4 -47,-0.2 4,-3.0 3,-0.2 5,-0.3 0.564 56.9-115.1 83.0 120.3 15.7 -2.2 -24.7 60 58 A S H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.932 116.6 39.4 -53.9 -54.0 14.8 -4.8 -22.0 61 59 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.812 114.2 56.1 -65.6 -32.2 17.2 -7.5 -23.3 62 60 A G H > S+ 0 0 0 -51,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.932 108.3 47.4 -62.4 -47.5 19.8 -4.9 -24.0 63 61 A N H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.912 111.1 51.9 -59.1 -43.2 19.6 -3.8 -20.4 64 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.905 110.4 47.3 -61.7 -45.5 19.9 -7.4 -19.3 65 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.925 111.6 50.5 -62.6 -43.7 23.0 -8.0 -21.4 66 64 A A H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.892 109.3 52.9 -59.9 -40.6 24.6 -4.8 -20.1 67 65 A G H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.869 107.1 50.5 -61.3 -42.7 23.8 -5.9 -16.5 68 66 A V H X>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.9 0.942 112.1 47.7 -60.8 -46.5 25.5 -9.3 -17.0 69 67 A A H ><5S+ 0 0 16 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.908 109.5 53.3 -61.1 -43.0 28.6 -7.6 -18.3 70 68 A N H 3<5S+ 0 0 21 -4,-2.4 251,-0.8 1,-0.2 -1,-0.2 0.926 106.6 52.5 -57.7 -44.7 28.5 -5.1 -15.4 71 69 A L H 3<5S- 0 0 6 -4,-2.3 -1,-0.2 249,-0.2 -2,-0.2 0.717 128.2-100.5 -65.1 -20.0 28.4 -8.1 -13.0 72 70 A G T <<5S+ 0 0 49 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.420 80.8 128.7 110.1 6.7 31.5 -9.5 -14.7 73 71 A G < - 0 0 4 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.283 65.4-103.4 -81.3 173.5 29.8 -12.2 -16.9 74 72 A K - 0 0 127 -2,-0.1 -69,-2.4 212,-0.1 -68,-2.0 -0.897 45.9-177.5-107.0 114.3 30.3 -12.6 -20.6 75 73 A A E -b 6 0A 3 -2,-0.7 25,-2.4 23,-0.5 2,-0.3 -0.821 16.5-175.3-116.0 150.1 27.4 -11.2 -22.6 76 74 A A E -bc 7 100A 0 -70,-2.1 -68,-2.5 -2,-0.3 2,-0.3 -0.928 11.5-157.3-132.3 163.4 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 -0.998 11.6-162.5-144.8 136.8 23.3 -9.2 -27.8 78 76 A F E +b 9 0A 3 -70,-2.1 -68,-2.0 -2,-0.3 2,-0.3 -0.987 37.5 125.9-113.7 130.2 21.3 -9.4 -31.0 79 77 A G - 0 0 0 -2,-0.5 2,-0.6 -70,-0.2 -68,-0.1 -0.853 49.2-117.4-178.6 148.9 19.1 -6.5 -31.9 80 78 A N + 0 0 1 -70,-0.3 33,-0.3 -2,-0.3 -68,-0.3 -0.847 29.0 170.7-110.3 118.5 18.6 -4.2 -34.9 81 79 A V - 0 0 1 -2,-0.6 25,-0.5 22,-0.3 26,-0.2 -0.570 31.7-109.8-103.5 172.6 19.2 -0.4 -35.0 82 80 A A - 0 0 0 -2,-0.2 2,-1.9 23,-0.2 26,-0.3 -0.611 35.1-100.3 -94.2 164.2 19.2 2.0 -38.0 83 81 A A S S+ 0 0 55 24,-2.3 2,-0.2 -2,-0.2 25,-0.1 -0.568 89.2 100.9 -81.9 72.6 22.2 3.8 -39.4 84 82 A D S > S- 0 0 22 -2,-1.9 4,-2.2 23,-0.1 5,-0.1 -0.831 91.2 -84.8-147.1-179.1 21.4 7.0 -37.6 85 83 A Q H > S+ 0 0 36 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 125.6 51.3 -67.8 -39.0 22.5 8.9 -34.5 86 84 A L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 111.3 48.8 -60.0 -40.9 20.2 7.0 -32.1 87 85 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.882 109.9 52.0 -65.9 -39.4 21.6 3.7 -33.5 88 86 A D H X S+ 0 0 89 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 110.5 48.1 -62.9 -41.8 25.1 5.0 -33.1 89 87 A I H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.952 112.7 48.9 -61.7 -49.6 24.4 5.8 -29.4 90 88 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.932 112.7 47.1 -54.9 -49.6 22.8 2.4 -28.9 91 89 A T H X S+ 0 0 39 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.913 113.6 48.8 -62.1 -42.6 25.8 0.6 -30.5 92 90 A H H X S+ 0 0 21 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.943 109.9 49.7 -62.5 -49.9 28.3 2.6 -28.5 93 91 A D H X S+ 0 0 4 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.888 114.9 41.8 -62.9 -41.8 26.6 2.1 -25.1 94 92 A I H ><>S+ 0 0 0 -4,-2.0 5,-1.9 -5,-0.2 3,-0.5 0.933 117.7 45.6 -74.3 -42.7 26.3 -1.6 -25.3 95 93 A R H ><5S+ 0 0 160 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.879 109.1 57.3 -63.7 -37.5 29.7 -2.3 -26.8 96 94 A A H 3<5S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 100.8 57.1 -65.6 -25.5 31.3 0.1 -24.3 97 95 A Q T <<5S- 0 0 49 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.537 125.6-104.1 -80.5 -7.9 29.8 -2.0 -21.5 98 96 A G T < 5S+ 0 0 54 -3,-1.6 -23,-0.5 1,-0.3 2,-0.4 0.727 71.8 146.3 88.3 24.6 31.7 -5.0 -23.0 99 97 A V < - 0 0 5 -5,-1.9 2,-0.8 -25,-0.1 -1,-0.3 -0.812 55.5-119.7 -88.3 132.8 28.7 -6.7 -24.6 100 98 A H E +c 76 0A 62 -25,-2.4 -23,-2.2 -2,-0.4 2,-0.4 -0.653 46.1 169.2 -74.0 107.7 29.6 -8.5 -27.9 101 99 A Y E +c 77 0A 7 -2,-0.8 -23,-0.1 -25,-0.2 -6,-0.1 -0.955 17.7 147.8-135.6 119.1 27.3 -6.7 -30.3 102 100 A Q + 0 0 88 -25,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.342 20.1 136.0-131.5 -1.1 27.6 -7.1 -34.1 103 101 A T - 0 0 9 -26,-0.4 -22,-0.3 -24,-0.1 38,-0.1 -0.393 47.3-141.1 -64.5 119.2 24.1 -6.7 -35.6 104 102 A K - 0 0 135 -2,-0.3 -1,-0.1 -24,-0.1 -21,-0.1 -0.632 12.7-117.2 -86.3 136.1 24.5 -4.5 -38.7 105 103 A P - 0 0 55 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 -0.355 12.6-145.5 -64.6 152.6 21.9 -1.8 -39.5 106 104 A K - 0 0 84 -25,-0.5 2,-0.3 1,-0.3 -24,-0.1 0.527 66.7 -51.2 -99.0 -7.0 20.1 -2.3 -42.9 107 105 A G - 0 0 31 -26,-0.2 -24,-2.3 3,-0.1 -1,-0.3 -0.941 64.8 -75.5 157.8-172.9 19.8 1.4 -43.7 108 106 A A S S+ 0 0 33 -2,-0.3 4,-0.1 -26,-0.3 -26,-0.1 0.562 92.0 103.8 -89.7 -10.8 18.6 4.7 -42.1 109 107 A F S S+ 0 0 169 2,-0.1 -1,-0.1 23,-0.1 3,-0.0 -0.993 72.3 30.5-138.1 129.8 14.9 3.9 -42.5 110 108 A P S S- 0 0 41 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 0.554 104.2-125.5 -67.6 156.0 12.9 3.0 -40.5 111 109 A P - 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f 0 245A 39 -2,-0.3 4,-2.5 29,-0.2 5,-0.2 -0.597 45.3 -92.8-100.7 178.0 6.4 -10.5 -12.5 216 214 A R H > S+ 0 0 102 29,-1.0 4,-2.6 1,-0.2 5,-0.2 0.919 125.0 50.0 -56.9 -46.8 3.2 -10.9 -10.7 217 215 A Q H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 112.5 47.2 -64.7 -37.6 1.1 -9.1 -13.3 218 216 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 111.4 50.4 -69.7 -40.6 2.5 -11.2 -16.1 219 217 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.917 112.6 47.5 -63.2 -44.1 2.0 -14.4 -14.3 220 218 A L H X>S+ 0 0 24 -4,-2.6 5,-2.1 -5,-0.2 4,-0.7 0.899 113.1 48.2 -61.5 -43.8 -1.7 -13.4 -13.5 221 219 A S H ><5S+ 0 0 21 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.898 104.8 60.9 -63.8 -39.1 -2.2 -12.4 -17.2 222 220 A L H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.6 28.3 -56.0 -42.7 -0.7 -15.7 -18.4 223 221 A Y H 3<5S- 0 0 28 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.375 106.7-122.9-105.5 5.4 -3.3 -17.8 -16.7 224 222 A Q T <<5S+ 0 0 145 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.938 71.8 116.4 56.3 53.0 -6.1 -15.2 -16.9 225 223 A T < - 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0 0 26 -32,-0.3 -285,-0.1 -2,-0.2 -1,-0.1 -0.034 55.3 -48.6 -71.4-176.2 32.0 4.2 -21.2 383 50 B P S S- 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.317 75.0-160.3 -51.6 137.0 28.2 3.9 -21.5 384 51 B A - 0 0 13 -295,-0.2 -327,-0.5 -3,-0.1 2,-0.3 -0.724 21.8-132.5-126.4 171.7 26.8 7.4 -21.5 385 52 B L E - O 0 348B 16 -37,-1.8 -37,-2.9 -2,-0.2 2,-0.4 -0.944 22.1-142.8-118.2 143.4 23.7 9.6 -20.9 386 53 B E E +LO 55 347B 0 -331,-2.7 -331,-2.7 -2,-0.3 2,-0.3 -0.902 25.6 160.8-112.7 142.8 22.6 12.3 -23.4 387 54 B A E - O 0 346B 12 -41,-1.9 -41,-2.9 -2,-0.4 -333,-0.1 -0.965 45.4 -95.8-154.9 138.5 21.0 15.6 -22.4 388 55 B S E + O 0 345B 5 -335,-0.5 -43,-0.2 -2,-0.3 2,-0.1 -0.259 55.3 158.6 -53.3 137.1 20.6 18.9 -24.1 389 56 B G + 0 0 0 -45,-2.7 -45,-0.3 255,-0.1 -1,-0.1 -0.248 19.4 140.1-133.9-140.0 23.4 21.3 -23.3 390 57 B G > - 0 0 4 -47,-0.2 4,-3.2 3,-0.2 5,-0.3 0.558 57.1-113.1 87.0 119.6 25.1 24.5 -24.6 391 58 B S H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.924 116.2 37.2 -51.8 -57.6 26.0 27.1 -22.0 392 59 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.815 114.4 57.9 -65.3 -31.9 23.6 29.8 -23.2 393 60 B G H > S+ 0 0 0 -51,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.950 107.8 46.8 -61.9 -48.4 20.9 27.1 -23.9 394 61 B N H X S+ 0 0 4 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.901 111.4 52.3 -57.5 -43.1 21.2 26.0 -20.3 395 62 B T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.917 109.5 47.7 -60.8 -45.2 20.9 29.6 -19.2 396 63 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 111.7 50.7 -61.5 -43.6 17.8 30.2 -21.3 397 64 B A H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.886 109.0 52.7 -61.5 -40.0 16.2 27.0 -19.9 398 65 B G H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 107.3 50.0 -61.6 -43.5 17.0 28.2 -16.4 399 66 B V H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-0.8 0.936 113.0 46.8 -63.0 -45.1 15.3 31.5 -16.8 400 67 B A H ><5S+ 0 0 16 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.924 109.2 54.7 -60.8 -44.5 12.2 29.8 -18.2 401 68 B N H 3<5S+ 0 0 22 -4,-2.6 251,-0.8 1,-0.3 -1,-0.2 0.918 106.6 51.8 -53.8 -44.9 12.3 27.3 -15.3 402 69 B L H 3<5S- 0 0 4 -4,-2.2 -1,-0.3 249,-0.2 -2,-0.2 0.673 127.8 -98.7 -66.7 -20.2 12.3 30.2 -12.8 403 70 B G T <<5S+ 0 0 56 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.438 82.4 126.6 113.4 4.0 9.3 31.8 -14.5 404 71 B G < - 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0 0 8 0, 0.0 4,-0.1 0, 0.0 -8,-0.1 -0.208 20.2-160.4 -52.5 132.5 17.7 21.4 -13.5 648 315 B X S S+ 0 0 104 -4,-0.1 2,-0.2 2,-0.1 -629,-0.1 0.421 73.4 69.4 -92.7 -0.9 15.0 18.7 -13.6 649 316 B T S S- 0 0 87 1,-0.0 2,-0.6 -11,-0.0 -11,-0.0 -0.675 100.6 -84.9-109.8 167.6 13.2 20.2 -10.6 650 317 B S > - 0 0 47 -2,-0.2 4,-1.6 1,-0.2 -248,-0.1 -0.637 31.3-170.6 -79.2 118.5 11.3 23.4 -10.4 651 318 B L H > S+ 0 0 2 -2,-0.6 4,-2.7 2,-0.2 -249,-0.2 0.798 87.9 57.4 -75.5 -32.9 13.5 26.4 -9.7 652 319 B S H > S+ 0 0 24 -251,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.920 107.7 47.6 -63.1 -44.3 10.5 28.7 -9.1 653 320 B E H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 112.9 49.3 -61.3 -42.2 9.4 26.3 -6.3 654 321 B A H X S+ 0 0 18 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.6 49.7 -61.7 -43.5 12.9 26.2 -4.9 655 322 B A H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 6,-1.3 0.896 111.2 49.6 -63.8 -43.2 13.1 30.1 -4.9 656 323 B K H ><5S+ 0 0 113 -4,-2.5 3,-1.3 5,-0.3 -1,-0.2 0.942 112.7 47.0 -57.6 -49.9 9.7 30.3 -3.2 657 324 B Q H 3<5S+ 0 0 177 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 109.1 53.7 -61.3 -40.8 10.8 27.9 -0.5 658 325 B A T 3<5S- 0 0 56 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.485 115.1-117.8 -73.6 -3.9 14.1 29.6 0.0 659 326 B G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.746 85.3 115.4 70.4 25.5 12.2 32.9 0.6 660 327 B L < 0 0 26 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.722 360.0 360.0 -93.5 -29.6 13.8 34.6 -2.4 661 328 B I 0 0 77 -6,-1.3 -5,-0.3 -9,-0.1 -8,-0.1 0.512 360.0 360.0-130.4 360.0 10.5 34.9 -4.4