==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-13 4KQ6 . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR M.SHANKAR,S.M.WILBANKS,Y.NAKATANI,B.C.MONK,J.D.A.TYNDALL . 1586 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1175 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 205 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 0.9 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 . 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 . 64 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 627 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.6 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 0 10 0 0 0 0 0 0 10 3 8 8 1 0 10 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 0 0 25 5 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 . 7 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 10 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 11 A Q 0 0 181 0, 0.0 2,-0.5 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 167.7 -7.5 -26.1 40.2 2 12 A N - 0 0 141 2,-0.0 2,-0.5 147,-0.0 34,-0.0 -0.853 360.0-162.7 -82.9 127.6 -5.9 -26.8 36.9 3 13 A Y - 0 0 21 -2,-0.5 2,-0.9 142,-0.0 146,-0.1 -0.991 16.4-131.6-113.4 130.1 -5.2 -23.4 35.4 4 14 A D + 0 0 95 -2,-0.5 3,-0.4 1,-0.1 33,-0.2 -0.713 25.3 179.6 -76.7 110.5 -4.5 -23.3 31.7 5 15 A G > + 0 0 0 31,-3.0 3,-1.4 -2,-0.9 34,-0.4 0.299 50.2 106.3 -92.3 12.5 -1.4 -21.2 31.2 6 16 A S T 3 S+ 0 0 27 1,-0.3 33,-0.3 30,-0.2 -1,-0.2 0.817 80.8 47.8 -67.1 -28.4 -1.3 -21.5 27.4 7 17 A K T 3 S+ 0 0 176 -3,-0.4 -1,-0.3 31,-0.1 2,-0.2 0.561 94.3 102.3 -82.9 -8.7 -2.5 -18.0 26.8 8 18 A L < - 0 0 14 -3,-1.4 2,-0.4 29,-0.1 31,-0.4 -0.484 52.2-158.2 -84.4 149.3 -0.1 -16.3 29.3 9 19 A R - 0 0 56 -2,-0.2 64,-3.0 62,-0.1 65,-0.7 -0.993 22.6-170.1-110.2 134.6 3.1 -14.4 28.8 10 20 A V E -ab 43 74A 0 32,-2.6 34,-2.7 -2,-0.4 2,-0.5 -0.958 11.8-148.3-132.3 133.4 5.2 -14.3 32.0 11 21 A G E -ab 44 75A 0 63,-2.3 65,-2.2 -2,-0.4 2,-0.4 -0.876 7.1-168.0-100.9 138.9 8.3 -12.4 32.9 12 22 A I E +ab 45 76A 0 32,-2.9 34,-3.4 -2,-0.5 2,-0.5 -0.981 8.0 179.7-111.2 129.1 11.0 -13.6 35.2 13 23 A I E -ab 46 77A 0 63,-1.8 65,-2.7 -2,-0.4 2,-0.4 -0.982 9.3-175.9-131.5 125.5 13.5 -11.0 36.3 14 24 A H E -ab 47 78A 7 32,-2.0 34,-1.6 -2,-0.5 65,-0.2 -0.943 25.8-123.9-126.3 143.1 16.3 -12.1 38.6 15 25 A A - 0 0 1 63,-2.7 35,-0.2 -2,-0.4 36,-0.0 -0.176 22.8-135.3 -66.7 169.4 19.2 -10.6 40.5 16 26 A R S > S+ 0 0 71 33,-2.0 3,-0.5 32,-0.3 2,-0.3 0.368 70.1 102.5-121.9 2.7 22.6 -12.1 39.8 17 27 A W T 3 S+ 0 0 154 32,-0.5 63,-0.3 1,-0.2 5,-0.2 -0.679 88.4 21.0 -78.2 146.2 24.1 -12.5 43.3 18 28 A N T >> S+ 0 0 59 -2,-0.3 4,-2.3 3,-0.1 3,-0.7 0.899 83.9 177.6 59.5 46.8 24.0 -16.1 44.6 19 29 A R H <> + 0 0 108 -3,-0.5 4,-3.0 1,-0.3 5,-0.2 0.751 66.8 55.4 -55.0 -37.7 23.8 -17.1 41.0 20 30 A V H 3> S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.929 113.4 43.3 -67.5 -42.4 23.8 -20.9 41.5 21 31 A I H <> S+ 0 0 3 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.938 112.8 53.5 -64.3 -48.4 20.8 -20.7 43.8 22 32 A I H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 3,-0.3 0.938 107.2 51.4 -50.9 -55.4 19.1 -18.1 41.5 23 33 A D H X S+ 0 0 70 -4,-3.0 4,-2.9 1,-0.3 -1,-0.2 0.879 109.9 49.4 -54.9 -37.2 19.4 -20.5 38.5 24 34 A A H X S+ 0 0 17 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.3 0.863 113.5 45.2 -73.2 -33.1 17.9 -23.3 40.4 25 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.906 115.8 46.7 -71.0 -48.2 15.0 -21.1 41.6 26 36 A V H X S+ 0 0 12 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.940 111.7 51.0 -52.7 -52.6 14.5 -19.7 38.0 27 37 A K H X S+ 0 0 127 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.902 109.6 52.1 -57.8 -40.7 14.7 -23.2 36.5 28 38 A G H X S+ 0 0 1 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.932 109.6 47.7 -61.3 -47.7 12.0 -24.4 39.0 29 39 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 112.7 49.7 -59.6 -43.2 9.6 -21.6 38.2 30 40 A I H X S+ 0 0 41 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.978 110.9 48.7 -62.8 -52.3 10.0 -22.2 34.4 31 41 A D H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 112.3 47.0 -54.6 -44.3 9.4 -26.0 34.6 32 42 A R H X S+ 0 0 81 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.901 113.0 49.2 -67.3 -37.8 6.4 -25.7 36.7 33 43 A M H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.2 3,-0.4 0.934 109.5 52.4 -68.3 -41.0 5.0 -23.0 34.4 34 44 A L H ><5S+ 0 0 55 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.886 107.1 53.4 -58.3 -37.0 5.7 -25.2 31.3 35 45 A S H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.806 103.8 55.8 -75.4 -21.2 3.9 -28.0 33.0 36 46 A L T 3<5S- 0 0 38 -4,-1.4 -31,-3.0 -3,-0.4 -1,-0.3 0.311 128.9 -96.3 -85.6 10.0 0.8 -25.7 33.5 37 47 A G T < 5S+ 0 0 29 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.590 73.7 147.4 93.3 10.0 0.8 -25.1 29.7 38 48 A V < - 0 0 4 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.639 51.3-116.3 -75.8 140.2 2.7 -21.8 29.5 39 49 A K > - 0 0 93 -31,-0.4 3,-2.5 -34,-0.4 4,-0.1 -0.575 9.9-127.3 -83.6 137.9 4.7 -21.8 26.2 40 50 A E G > S+ 0 0 151 1,-0.3 3,-1.3 -2,-0.3 -1,-0.1 0.840 110.8 52.1 -43.6 -43.0 8.5 -21.7 26.3 41 51 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.638 102.5 61.3 -79.0 -9.8 8.5 -18.7 24.0 42 52 A N G < S+ 0 0 30 -3,-2.5 -32,-2.6 -34,-0.1 2,-0.6 0.168 83.3 88.3-102.5 18.2 6.1 -16.8 26.2 43 53 A I E < -a 10 0A 20 -3,-1.3 2,-0.4 -34,-0.2 -32,-0.2 -0.958 62.7-166.6-115.9 117.5 8.4 -16.8 29.2 44 54 A I E -a 11 0A 46 -34,-2.7 -32,-2.9 -2,-0.6 2,-0.4 -0.883 1.9-159.1-110.7 135.0 10.7 -13.8 29.1 45 55 A V E +a 12 0A 69 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.913 14.9 169.2-117.4 134.5 13.7 -13.6 31.4 46 56 A E E -a 13 0A 36 -34,-3.4 -32,-2.0 -2,-0.4 2,-0.3 -0.846 15.0-150.3-135.7 167.7 15.5 -10.5 32.4 47 57 A T E -a 14 0A 24 -2,-0.3 -32,-0.2 -34,-0.3 3,-0.1 -0.921 10.2-171.9-139.9 162.2 18.2 -9.8 35.0 48 58 A V - 0 0 0 -34,-1.6 -32,-0.3 -2,-0.3 6,-0.1 -0.907 36.4-111.2-145.8 161.4 19.5 -7.0 37.3 49 59 A P S S+ 0 0 19 0, 0.0 -33,-2.0 0, 0.0 -32,-0.5 0.975 88.7 8.4 -68.2 -51.6 22.6 -6.8 39.4 50 60 A G S >> S- 0 0 8 -35,-0.2 3,-1.2 -34,-0.1 4,-0.5 -0.761 75.4-102.4-130.9 169.7 21.0 -6.9 42.9 51 61 A S G >4 S+ 0 0 9 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.869 117.2 62.8 -58.7 -32.2 17.8 -7.4 44.8 52 62 A F G 34 S+ 0 0 10 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.793 100.5 54.9 -64.5 -26.9 17.4 -3.7 45.3 53 63 A E G <> S+ 0 0 18 -3,-1.2 4,-2.2 1,-0.2 -1,-0.3 0.596 86.6 87.9 -76.3 -14.2 17.2 -3.3 41.5 54 64 A L H S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 117.4 38.1 -70.6 -44.7 11.4 -3.5 41.7 56 66 A Y H > S+ 0 0 10 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.869 117.6 53.9 -69.9 -37.5 12.3 -0.7 39.3 57 67 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.937 109.0 48.5 -52.8 -48.2 13.7 -3.3 36.9 58 68 A S H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.877 111.3 49.5 -66.8 -41.7 10.3 -5.1 37.1 59 69 A K H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.967 115.9 41.1 -59.5 -53.0 8.4 -1.9 36.4 60 70 A R H X S+ 0 0 30 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.853 112.4 57.4 -67.3 -33.5 10.5 -0.9 33.3 61 71 A F H X S+ 0 0 3 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.922 109.8 43.7 -64.5 -43.2 10.5 -4.5 32.2 62 72 A A H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 10,-0.3 0.914 113.8 49.9 -66.6 -45.5 6.7 -4.6 32.1 63 73 A E H X S+ 0 0 80 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.950 110.9 49.5 -60.5 -49.7 6.5 -1.2 30.4 64 74 A K H X S+ 0 0 49 -4,-2.8 4,-1.6 2,-0.2 6,-0.2 0.894 111.5 49.2 -52.8 -48.3 9.0 -2.2 27.7 65 75 A Q H <>S+ 0 0 12 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.919 113.0 46.7 -63.2 -46.0 7.1 -5.4 27.0 66 76 A A H ><5S+ 0 0 47 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.892 108.9 56.9 -59.3 -37.8 3.8 -3.6 26.7 67 77 A K H 3<5S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 105.7 48.2 -71.6 -28.3 5.4 -1.0 24.5 68 78 A K T 3<5S- 0 0 119 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.298 122.6-102.4 -92.9 18.0 6.5 -3.5 21.9 69 79 A G T < 5S+ 0 0 21 -3,-1.7 -3,-0.2 1435,-0.2 -2,-0.1 0.655 99.6 102.7 78.3 17.7 3.1 -5.2 21.8 70 80 A E < - 0 0 87 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 -0.540 55.4-174.8-127.5 60.6 4.2 -8.2 24.0 71 81 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -62,-0.1 -0.285 23.4-122.0 -69.1 145.3 2.7 -7.3 27.4 72 82 A L - 0 0 9 -10,-0.3 -62,-0.2 1,-0.1 3,-0.1 -0.685 10.7-157.4 -76.0 135.4 3.5 -9.5 30.5 73 83 A D S S- 0 0 61 -64,-3.0 2,-0.3 -2,-0.3 -63,-0.2 0.624 79.0 -6.8 -78.0 -18.7 0.5 -11.0 32.3 74 84 A V E -b 10 0A 0 -65,-0.7 -63,-2.3 35,-0.2 2,-0.4 -0.955 67.4-141.4-168.9 155.4 2.4 -11.4 35.5 75 85 A V E -bc 11 111A 0 35,-1.7 37,-2.8 -2,-0.3 -63,-0.2 -0.979 1.7-158.1-132.3 148.1 6.0 -10.9 36.7 76 86 A I E -b 12 0A 0 -65,-2.2 -63,-1.8 -2,-0.4 2,-0.4 -0.848 9.8-162.3-127.6 97.0 8.2 -12.9 39.1 77 87 A P E -b 13 0A 0 0, 0.0 37,-1.4 0, 0.0 2,-0.4 -0.672 12.6-165.1 -75.2 131.1 11.1 -11.0 40.5 78 88 A I E +bd 14 114A 0 -65,-2.7 -63,-2.7 -2,-0.4 2,-0.3 -0.964 19.8 148.0-125.4 126.2 13.7 -13.3 42.0 79 89 A G E - d 0 115A 0 35,-1.3 37,-2.4 -2,-0.4 2,-0.5 -0.952 32.1-140.7-147.1 159.3 16.6 -12.5 44.4 80 90 A V E - d 0 116A 3 -63,-0.3 2,-0.4 -2,-0.3 37,-0.2 -0.980 18.5-174.8-129.8 117.5 18.4 -14.3 47.1 81 91 A L E - d 0 117A 22 35,-2.3 37,-2.6 -2,-0.5 2,-0.4 -0.940 1.5-171.7-115.1 132.7 19.5 -12.3 50.2 82 92 A I E - d 0 118A 45 -2,-0.4 37,-0.2 35,-0.2 7,-0.1 -0.999 32.7-106.2-129.4 126.4 21.6 -13.9 52.9 83 93 A K - 0 0 56 35,-2.0 38,-0.1 -2,-0.4 2,-0.1 -0.219 41.3-178.7 -49.6 125.0 22.2 -12.2 56.2 84 94 A G - 0 0 43 2,-0.4 -1,-0.1 36,-0.1 0, 0.0 -0.191 46.1 -78.7-108.1-151.7 25.8 -10.8 56.5 85 95 A S S S+ 0 0 63 -2,-0.1 193,-0.2 197,-0.0 2,-0.1 0.707 108.2 57.5 -94.2 -12.9 27.4 -9.0 59.4 86 96 A T S S- 0 0 7 191,-0.1 3,-0.5 192,-0.1 -2,-0.4 -0.448 95.0-103.3-102.4-175.7 25.9 -5.5 58.8 87 97 A M S > S+ 0 0 47 189,-2.0 4,-2.0 1,-0.2 5,-0.2 0.163 91.4 105.2 -89.9 14.6 22.3 -4.4 58.6 88 98 A H H > S+ 0 0 70 188,-0.2 4,-2.8 1,-0.2 5,-0.3 0.939 76.3 56.0 -67.4 -41.7 22.4 -4.2 54.8 89 99 A F H > S+ 0 0 6 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.910 108.6 46.3 -49.7 -51.8 20.4 -7.4 54.6 90 100 A E H > S+ 0 0 40 -4,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 114.9 45.9 -60.0 -44.9 17.5 -6.1 56.7 91 101 A Y H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.902 114.8 44.9 -78.2 -37.1 17.3 -2.8 54.9 92 102 A I H X S+ 0 0 6 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.919 115.4 50.4 -60.9 -48.7 17.4 -4.2 51.4 93 103 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.890 113.1 42.8 -61.0 -45.8 14.9 -6.9 52.3 94 104 A D H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.940 117.9 42.1 -74.0 -48.0 12.4 -4.7 53.8 95 105 A S H X S+ 0 0 4 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.898 117.3 49.4 -65.5 -32.3 12.4 -1.9 51.3 96 106 A T H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.942 111.0 50.0 -74.5 -39.3 12.6 -4.4 48.3 97 107 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.951 112.7 45.5 -60.0 -52.3 9.7 -6.5 49.7 98 108 A Q H X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.919 112.5 51.2 -59.2 -41.8 7.5 -3.4 50.2 99 109 A A H X S+ 0 0 10 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.889 109.8 50.7 -66.4 -33.0 8.4 -2.1 46.7 100 110 A I H >X S+ 0 0 0 -4,-2.5 3,-1.1 2,-0.2 4,-0.8 0.973 111.7 47.1 -66.3 -50.5 7.4 -5.5 45.2 101 111 A M H >< S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.3 4,-0.3 0.913 116.3 44.4 -53.5 -49.6 4.1 -5.6 46.9 102 112 A N H 3X S+ 0 0 44 -4,-2.6 4,-0.6 1,-0.2 -1,-0.3 0.530 96.3 75.1 -75.4 -13.4 3.3 -2.0 45.9 103 113 A L H XX S+ 0 0 4 -3,-1.1 4,-2.0 -4,-0.7 3,-1.2 0.843 80.1 75.0 -68.7 -27.0 4.5 -2.4 42.3 104 114 A Q H S+ 0 0 6 -3,-0.8 4,-1.5 -4,-0.8 5,-0.6 0.858 95.7 46.6 -56.8 -46.4 1.3 -4.4 41.5 105 115 A D H 345S+ 0 0 55 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.744 109.4 54.7 -66.0 -24.2 -0.9 -1.3 41.4 106 116 A K H <<5S+ 0 0 105 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.903 122.9 25.5 -75.4 -39.1 1.6 0.7 39.2 107 117 A I H <5S- 0 0 26 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.497 99.2-132.5-101.0 -6.4 1.7 -2.0 36.4 108 118 A N T <5S+ 0 0 106 -4,-1.5 48,-0.2 -5,-0.3 -3,-0.2 0.793 71.5 98.4 53.1 36.6 -1.7 -3.5 37.0 109 119 A I S S- 0 0 64 1,-0.1 4,-1.4 -38,-0.1 3,-0.4 -0.990 76.4-117.1-143.0 156.0 22.4 -18.7 56.1 121 131 A E H > S+ 0 0 107 -2,-0.3 4,-2.9 1,-0.2 3,-0.3 0.872 113.9 58.6 -52.4 -47.6 23.4 -20.0 52.7 122 132 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 101.7 53.1 -56.4 -41.3 22.2 -23.5 53.6 123 133 A Q H > S+ 0 0 35 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.891 110.5 49.8 -58.0 -36.5 18.7 -22.2 54.3 124 134 A A H X S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.3 -2,-0.2 0.910 109.0 50.9 -70.4 -41.6 18.8 -20.7 50.7 125 135 A L H ><>S+ 0 0 38 -4,-2.9 5,-3.2 1,-0.2 3,-0.6 0.917 110.0 50.1 -61.4 -42.4 20.1 -24.0 49.2 126 136 A A H ><5S+ 0 0 4 -4,-2.3 3,-1.5 4,-0.2 11,-0.6 0.890 108.8 51.8 -64.1 -41.1 17.2 -25.9 50.8 127 137 A R H 3<5S+ 0 0 26 -4,-1.8 12,-3.0 1,-0.3 13,-0.4 0.622 109.1 49.6 -75.5 -12.1 14.7 -23.5 49.6 128 138 A A B <<5S-E 138 0B 1 -4,-1.1 10,-0.3 -3,-0.6 -1,-0.3 0.243 117.7-116.5 -98.1 10.8 16.0 -23.8 46.0 129 139 A G T < 5S+ 0 0 19 -3,-1.5 -3,-0.2 8,-0.6 9,-0.2 0.786 89.8 104.3 59.6 30.5 15.8 -27.6 46.5 130 140 A I < + 0 0 59 -5,-3.2 -4,-0.2 -6,-0.2 2,-0.1 0.161 35.4 122.6-131.3 17.9 19.6 -28.0 46.1 131 141 A D S > S- 0 0 1 -6,-0.6 3,-2.0 1,-0.1 5,-0.1 -0.503 78.2-104.7 -64.6 151.3 21.0 -28.6 49.6 132 142 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.882 120.7 44.1 -40.3 -50.0 23.0 -31.9 50.0 133 143 A G T 3 S- 0 0 51 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.191 96.5-134.6 -92.4 13.7 20.1 -33.5 51.8 134 144 A K < + 0 0 141 -3,-2.0 -2,-0.1 1,-0.2 -8,-0.0 0.820 45.7 160.4 41.1 46.6 17.1 -32.3 49.7 135 145 A T + 0 0 99 2,-0.0 -1,-0.2 0, 0.0 -9,-0.1 0.676 60.3 13.0 -79.8 -20.7 15.4 -31.5 52.9 136 146 A M S S- 0 0 84 -10,-0.3 2,-0.3 -5,-0.1 -9,-0.1 0.143 87.1-100.2-118.9-121.8 12.8 -29.1 51.4 137 147 A H - 0 0 76 -11,-0.6 2,-0.8 -2,-0.0 -8,-0.6 -0.943 41.1 -79.1-166.7 160.1 11.7 -28.3 47.9 138 148 A N B >> -E 128 0B 21 -10,-0.3 3,-1.6 -2,-0.3 4,-0.5 -0.589 31.5-161.6 -73.1 103.7 12.4 -25.7 45.2 139 149 A H H >> S+ 0 0 31 -12,-3.0 4,-1.7 -2,-0.8 3,-0.7 0.759 84.4 78.1 -55.7 -28.1 10.2 -22.6 46.1 140 150 A G H 3> S+ 0 0 0 -13,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.857 89.0 57.0 -46.4 -36.7 10.7 -21.5 42.4 141 151 A E H <> S+ 0 0 67 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.856 103.8 50.1 -70.7 -36.9 8.0 -24.0 41.6 142 152 A D H + 0 0 0 31,-3.0 3,-1.8 -2,-0.7 34,-0.4 0.268 49.9 113.4 -94.1 16.3 28.1 3.9 29.4 165 16 B S T 3 S+ 0 0 40 30,-0.3 33,-0.3 1,-0.3 -1,-0.2 0.818 79.7 45.2 -63.7 -29.4 29.5 6.3 26.7 166 17 B K T 3 S+ 0 0 186 -3,-0.5 -1,-0.3 31,-0.1 2,-0.3 0.464 97.7 101.9 -88.8 -0.1 26.0 8.0 26.2 167 18 B L < - 0 0 12 -3,-1.8 2,-0.5 29,-0.0 31,-0.4 -0.579 54.2-156.7 -90.4 144.3 25.2 8.3 29.9 168 19 B R - 0 0 53 -2,-0.3 64,-3.9 62,-0.1 65,-0.7 -0.981 23.1-166.7-110.4 124.9 25.2 11.2 32.3 169 20 B V E -fg 202 233C 0 32,-2.3 34,-3.3 -2,-0.5 2,-0.4 -0.877 8.5-152.1-116.9 136.7 25.5 9.9 35.9 170 21 B G E -fg 203 234C 0 63,-2.5 65,-2.4 -2,-0.4 2,-0.5 -0.882 6.9-170.4-107.0 137.7 24.9 11.8 39.1 171 22 B I E -fg 204 235C 0 32,-3.3 34,-2.7 -2,-0.4 2,-0.4 -1.000 5.2-178.2-122.8 128.4 26.6 10.9 42.3 172 23 B I E -fg 205 236C 0 63,-1.8 65,-3.4 -2,-0.5 2,-0.3 -0.998 10.0-176.5-130.1 123.6 25.4 12.7 45.4 173 24 B H E -fg 206 237C 7 32,-2.2 34,-2.4 -2,-0.4 65,-0.2 -0.909 24.3-126.1-126.0 149.0 27.1 11.9 48.7 174 25 B A E -f 207 0C 1 63,-2.0 35,-0.2 -2,-0.3 36,-0.0 -0.403 20.7-134.1 -79.5 168.1 26.7 12.8 52.4 175 26 B R S > S+ 0 0 74 33,-2.0 3,-0.6 32,-0.5 2,-0.2 0.581 70.3 102.2-115.6 -9.7 29.8 14.3 54.2 176 27 B W T 3 S+ 0 0 144 32,-0.9 63,-0.4 1,-0.2 -2,-0.1 -0.541 90.0 21.9 -69.0 142.8 29.8 12.3 57.5 177 28 B N T >> S+ 0 0 62 -2,-0.2 4,-2.6 3,-0.1 3,-0.8 0.920 83.1 178.1 58.9 47.7 32.4 9.5 57.5 178 29 B R H <> + 0 0 109 -3,-0.6 4,-3.3 1,-0.3 5,-0.2 0.819 68.8 54.8 -54.5 -43.9 34.2 11.4 54.8 179 30 B V H 3> S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.906 114.1 41.9 -58.8 -41.1 37.2 9.1 54.4 180 31 B I H <> S+ 0 0 5 -3,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.912 114.1 52.4 -75.8 -40.6 34.9 6.2 53.8 181 32 B I H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.972 107.5 51.8 -54.4 -59.1 32.7 8.3 51.6 182 33 B D H 3X S+ 0 0 74 -4,-3.3 4,-2.0 1,-0.3 -1,-0.2 0.842 109.5 50.4 -51.9 -34.9 35.6 9.4 49.4 183 34 B A H 3X S+ 0 0 16 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.3 0.892 111.8 47.0 -71.0 -35.5 36.7 5.7 48.9 184 35 B L H <>S+ 0 0 0 -4,-2.2 5,-1.9 -5,-0.2 3,-1.2 0.934 110.7 48.8 -66.8 -42.6 32.0 3.9 35.5 193 44 B L H ><5S+ 0 0 59 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.929 106.5 59.0 -61.2 -41.4 34.9 5.3 33.5 194 45 B S H 3<5S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.711 105.7 48.3 -59.7 -20.2 36.1 1.8 32.9 195 46 B L T <<5S- 0 0 51 -3,-1.2 -31,-3.0 -4,-0.6 -30,-0.3 0.272 129.0 -91.5-107.6 10.4 32.7 1.0 31.3 196 47 B G T < 5S+ 0 0 26 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.349 73.4 143.1 109.4 -5.2 32.7 4.1 29.0 197 48 B V < - 0 0 5 -5,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.505 55.3-115.0 -69.4 139.4 31.0 6.9 30.9 198 49 B K > - 0 0 107 -31,-0.4 3,-2.6 -34,-0.4 4,-0.1 -0.545 14.5-123.7 -79.5 146.3 32.8 10.1 30.0 199 50 B E G > S+ 0 0 147 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.839 111.6 49.8 -55.4 -41.0 34.6 12.0 32.8 200 51 B E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.504 103.0 64.7 -85.9 -0.8 32.7 15.2 32.3 201 52 B N G < S+ 0 0 30 -3,-2.6 -32,-2.3 -33,-0.0 2,-0.7 0.314 79.4 88.9 -98.2 11.1 29.5 13.2 32.4 202 53 B I E < -f 169 0C 19 -3,-1.6 2,-0.5 -34,-0.2 -32,-0.2 -0.934 65.1-165.1-103.6 107.8 29.9 12.1 36.0 203 54 B I E -f 170 0C 44 -34,-3.3 -32,-3.3 -2,-0.7 2,-0.5 -0.858 0.5-161.5-102.3 125.3 28.3 14.9 38.1 204 55 B V E +f 171 0C 69 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.904 14.9 168.0-113.6 128.2 29.1 14.9 41.8 205 56 B E E -f 172 0C 35 -34,-2.7 -32,-2.2 -2,-0.5 2,-0.3 -0.870 16.0-148.8-129.7 163.2 27.0 16.7 44.3 206 57 B T E -f 173 0C 24 -2,-0.3 -32,-0.2 -34,-0.2 -34,-0.0 -0.958 12.1-173.3-136.6 160.0 26.9 16.6 48.1 207 58 B V E -f 174 0C 0 -34,-2.4 -32,-0.5 -2,-0.3 6,-0.1 -0.920 35.1-113.1-140.6 165.3 24.6 17.0 51.2 208 59 B P S S+ 0 0 18 0, 0.0 -33,-2.0 0, 0.0 -32,-0.9 0.979 88.5 11.2 -71.3 -49.0 25.4 17.0 54.9 209 60 B G S > S- 0 0 7 -35,-0.2 3,-1.5 -34,-0.2 4,-0.3 -0.761 77.4-103.9-129.3 162.9 23.8 13.8 56.2 210 61 B S G > S+ 0 0 9 1,-0.3 3,-2.0 -2,-0.2 30,-0.1 0.821 115.4 65.4 -56.5 -35.9 22.3 10.6 54.8 211 62 B F G 3 S+ 0 0 7 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.765 97.4 56.7 -55.1 -28.1 18.8 11.8 55.6 212 63 B E G <> S+ 0 0 19 -3,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.549 83.4 90.5 -80.3 -8.4 19.3 14.6 53.0 213 64 B L H <> S+ 0 0 0 -3,-2.0 4,-3.3 -4,-0.3 -1,-0.2 0.896 84.9 45.5 -59.0 -40.8 20.1 12.1 50.3 214 65 B P H > S+ 0 0 8 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.953 119.7 36.0 -75.9 -45.1 16.6 11.6 48.9 215 66 B Y H > S+ 0 0 12 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.891 119.1 54.2 -67.7 -39.7 15.3 15.1 48.7 216 67 B G H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.942 110.5 45.8 -54.6 -52.2 18.9 16.0 47.7 217 68 B S H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.2 -2,-0.2 0.901 111.4 51.4 -62.3 -41.5 18.8 13.4 44.9 218 69 B K H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.958 114.8 42.1 -59.2 -50.3 15.3 14.5 43.7 219 70 B R H X S+ 0 0 27 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.863 111.5 56.0 -68.8 -35.8 16.3 18.2 43.4 220 71 B F H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.963 111.1 45.1 -57.5 -46.7 19.7 17.3 41.9 221 72 B A H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 10,-0.3 0.856 113.5 48.4 -68.2 -37.1 17.9 15.4 39.1 222 73 B E H X S+ 0 0 86 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.876 111.5 50.5 -69.4 -43.0 15.3 18.2 38.6 223 74 B K H X S+ 0 0 51 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.884 110.8 48.8 -60.8 -41.8 18.1 20.8 38.4 224 75 B Q H <>S+ 0 0 12 -4,-2.3 5,-2.8 -5,-0.2 4,-0.3 0.934 112.2 48.2 -66.8 -42.4 20.0 18.9 35.9 225 76 B A H ><5S+ 0 0 46 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.908 109.4 53.7 -65.5 -40.7 17.0 18.3 33.8 226 77 B K H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.9 50.9 -63.2 -35.0 16.0 22.0 33.9 227 78 B K T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.447 122.7-104.5 -85.5 6.2 19.4 23.1 32.7 228 79 B G T < 5S+ 0 0 21 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.688 97.8 101.1 86.3 18.9 19.3 20.7 29.7 229 80 B E < - 0 0 86 -5,-2.8 -4,-0.2 -6,-0.2 -3,-0.1 -0.419 55.1-174.4-132.8 59.2 21.7 18.2 31.2 230 81 B P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -62,-0.1 -0.186 21.8-124.2 -58.4 145.6 19.4 15.4 32.6 231 82 B L - 0 0 9 -10,-0.3 -62,-0.2 1,-0.1 3,-0.1 -0.570 7.6-154.6 -80.0 151.0 20.9 12.5 34.5 232 83 B D S S- 0 0 54 -64,-3.9 2,-0.3 1,-0.4 -63,-0.2 0.618 79.3 -4.8 -93.6 -14.8 20.3 9.0 33.4 233 84 B V E -g 169 0C 0 -65,-0.7 -63,-2.5 35,-0.2 2,-0.4 -0.950 64.3-141.7-176.2 149.8 20.8 7.6 36.9 234 85 B V E -gh 170 270C 0 35,-1.6 37,-2.8 -2,-0.3 -63,-0.2 -0.981 1.1-159.3-131.9 143.2 21.8 8.7 40.3 235 86 B I E -g 171 0C 0 -65,-2.4 -63,-1.8 -2,-0.4 2,-0.4 -0.881 9.9-163.8-120.3 95.4 23.9 7.1 43.0 236 87 B P E -g 172 0C 0 0, 0.0 37,-1.4 0, 0.0 2,-0.5 -0.710 15.1-163.4 -74.7 131.5 23.1 8.6 46.5 237 88 B I E +gi 173 273C 0 -65,-3.4 -63,-2.0 -2,-0.4 2,-0.3 -0.972 19.5 150.9-121.0 131.3 26.0 7.6 48.7 238 89 B G E - i 0 274C 0 35,-2.3 37,-2.7 -2,-0.5 2,-0.5 -0.986 31.5-140.9-151.1 158.0 26.1 7.6 52.5 239 90 B V E - i 0 275C 3 -63,-0.4 2,-0.5 -2,-0.3 37,-0.2 -0.959 16.8-174.2-125.7 117.7 27.7 5.8 55.4 240 91 B L E - 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