==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-OCT-08 3F1C . COMPND 2 MOLECULE: PUTATIVE 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES STR. 4B F2365; . AUTHOR Y.PATSKOVSKY,J.HO,R.TORO,M.GILMORE,S.MILLER,C.GROSHONG,J.M.S . 459 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 10.5 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 0.4 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 . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 1 2 2 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 2 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 0 A S 0 0 94 0, 0.0 2,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 116.0 -8.2 -6.7 -23.0 2 1 A L - 0 0 75 40,-0.0 99,-1.5 41,-0.0 2,-0.5 -0.752 360.0-145.6 -98.6 143.9 -11.2 -4.3 -23.6 3 2 A I E -a 101 0A 10 38,-0.5 40,-3.8 -2,-0.3 41,-0.7 -0.931 18.0-176.9-119.3 124.9 -11.7 -2.4 -26.8 4 3 A Y E -ab 102 44A 3 97,-2.4 99,-2.5 -2,-0.5 2,-0.3 -0.849 14.6-149.4-121.6 151.1 -13.2 1.1 -27.0 5 4 A A E -ab 103 45A 0 39,-2.5 41,-3.1 -2,-0.3 2,-0.4 -0.918 7.1-166.5-112.6 148.2 -14.1 3.5 -29.7 6 5 A Q E -ab 104 46A 0 97,-2.7 99,-2.5 -2,-0.3 2,-0.6 -0.964 3.7-162.7-132.8 120.1 -14.1 7.3 -29.5 7 6 A I E -ab 105 47A 0 39,-2.9 41,-2.7 -2,-0.4 2,-0.4 -0.902 18.8-164.9-106.1 123.0 -15.8 9.5 -32.1 8 7 A L E -a 106 0A 2 97,-2.6 99,-2.7 -2,-0.6 100,-0.4 -0.837 18.3-166.7-119.5 138.8 -14.6 13.1 -32.0 9 8 A A 0 0 21 -2,-0.4 97,-0.0 39,-0.3 -2,-0.0 -0.939 360.0 360.0-115.4 150.5 -15.7 16.4 -33.4 10 9 A G 0 0 97 -2,-0.3 69,-0.2 65,-0.0 39,-0.1 0.380 360.0 360.0 37.6 360.0 -13.5 19.5 -33.4 11 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 12 15 A M 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.3 -16.4 30.1 -35.1 13 17 A N + 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.203 360.0 58.7-119.4 9.5 -16.1 28.3 -31.4 14 18 A V S S+ 0 0 126 2,-0.1 0, 0.0 3,-0.0 0, 0.0 0.566 78.7 117.8-113.3 -14.3 -19.9 28.9 -31.8 15 19 A S S S- 0 0 57 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.143 73.0-107.9 -56.1 145.1 -20.5 26.9 -35.0 16 20 A M - 0 0 94 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.633 48.7 -97.0 -69.5 131.3 -22.9 23.9 -34.9 17 21 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.285 28.3-132.4 -51.5 132.9 -20.7 20.7 -35.2 18 22 A K G > S+ 0 0 89 1,-0.3 3,-1.6 2,-0.2 10,-0.3 0.703 98.7 74.8 -65.0 -19.5 -20.8 19.7 -38.9 19 23 A Q G 3 S+ 0 0 5 1,-0.3 10,-2.8 9,-0.1 11,-0.3 0.638 86.8 64.2 -68.7 -14.4 -21.5 16.0 -37.9 20 24 A F G < S+ 0 0 15 -3,-1.6 -1,-0.3 8,-0.2 -2,-0.2 0.561 79.7 105.6 -85.6 -10.3 -25.1 17.1 -37.2 21 25 A L S < S- 0 0 61 -3,-1.6 7,-2.3 -4,-0.2 2,-0.2 -0.448 78.9-108.2 -66.4 140.0 -25.6 18.0 -40.8 22 26 A P E -J 27 0B 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.459 28.6-170.6 -71.9 144.4 -27.8 15.6 -42.8 23 27 A L E > S-J 26 0B 1 3,-2.8 3,-1.1 -2,-0.2 8,-0.1 -0.973 79.4 -16.8-134.9 115.7 -26.3 13.3 -45.5 24 28 A N T 3 S- 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 199,-0.0 0.912 135.2 -43.3 48.7 48.2 -28.9 11.5 -47.6 25 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.447 126.3 75.1 86.7 0.6 -31.7 12.2 -45.0 26 30 A K E < S-J 23 0B 47 -3,-1.1 -3,-2.8 -5,-0.1 5,-0.1 -0.999 87.0 -86.0-147.4 147.7 -29.8 11.5 -41.8 27 31 A P E >> -J 22 0B 10 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.144 32.3-125.4 -54.4 144.2 -27.1 13.1 -39.6 28 32 A I H 3> S+ 0 0 0 -7,-2.3 4,-1.9 -10,-0.3 -8,-0.2 0.875 110.2 59.1 -55.3 -44.1 -23.4 12.6 -40.5 29 33 A I H 3> S+ 0 0 1 -10,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.830 102.3 54.4 -54.2 -36.3 -22.6 11.3 -37.0 30 34 A V H <> S+ 0 0 0 -3,-0.8 4,-2.4 -11,-0.3 -1,-0.2 0.932 106.0 50.3 -67.8 -48.8 -25.2 8.5 -37.4 31 35 A H H X S+ 0 0 13 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.884 116.1 44.3 -49.1 -45.6 -23.6 7.2 -40.6 32 36 A T H >X S+ 0 0 0 -4,-1.9 4,-0.9 75,-0.3 3,-0.6 0.939 112.9 48.0 -69.2 -50.7 -20.3 7.2 -38.7 33 37 A V H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-0.4 0.841 103.4 64.5 -60.7 -36.2 -21.5 5.6 -35.5 34 38 A E H 3X S+ 0 0 63 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.849 98.4 53.8 -53.1 -43.6 -23.3 2.9 -37.5 35 39 A K H << S+ 0 0 36 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.832 109.8 47.1 -62.3 -37.2 -20.0 1.5 -38.8 36 40 A F H >< S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.4 6,-0.3 0.814 107.6 56.7 -73.9 -31.6 -18.7 1.2 -35.3 37 41 A I H 3< S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.821 98.5 61.1 -70.4 -30.6 -21.9 -0.5 -34.1 38 42 A L T 3< S+ 0 0 121 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.514 89.8 83.4 -72.1 -7.1 -21.4 -3.2 -36.8 39 43 A N X - 0 0 8 -3,-1.1 3,-0.6 1,-0.1 -1,-0.0 -0.915 63.2-167.9 -99.9 121.5 -18.1 -4.1 -35.1 40 44 A T T 3 S+ 0 0 126 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.434 75.4 74.0 -90.8 -1.2 -18.9 -6.4 -32.2 41 45 A R T 3 S+ 0 0 83 -39,-0.0 -38,-0.5 -37,-0.0 2,-0.3 0.648 72.5 100.5 -86.2 -18.2 -15.5 -6.2 -30.6 42 46 A F < - 0 0 3 -3,-0.6 -38,-0.2 -6,-0.3 3,-0.1 -0.560 50.2-171.5 -69.2 127.3 -16.2 -2.7 -29.2 43 47 A D S S+ 0 0 71 -40,-3.8 2,-0.3 -2,-0.3 -39,-0.2 0.870 75.7 10.8 -86.3 -42.5 -17.1 -2.7 -25.6 44 48 A K E -b 4 0A 48 -41,-0.7 -39,-2.5 2,-0.0 2,-0.7 -0.999 62.0-152.1-138.1 138.7 -18.1 1.0 -25.4 45 49 A I E -bc 5 70A 0 24,-3.5 26,-2.1 -2,-0.3 2,-0.3 -0.905 20.0-160.5-108.6 102.4 -18.6 3.5 -28.2 46 50 A L E -bc 6 71A 0 -41,-3.1 -39,-2.9 -2,-0.7 2,-0.5 -0.662 5.1-164.1 -84.0 136.1 -17.8 7.0 -26.8 47 51 A I E -bc 7 72A 1 24,-2.6 26,-2.6 -2,-0.3 2,-0.3 -0.986 11.0-150.6-120.6 118.3 -19.1 10.1 -28.7 48 52 A S E + c 0 73A 2 -41,-2.7 -39,-0.3 -2,-0.5 26,-0.2 -0.717 22.0 167.1 -92.9 140.2 -17.5 13.3 -27.7 49 53 A S E - c 0 74A 1 24,-1.8 26,-2.6 -2,-0.3 5,-0.1 -0.985 41.1 -98.7-147.0 145.8 -19.4 16.6 -27.9 50 54 A P > - 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.414 48.2-104.9 -60.3 150.0 -19.0 20.2 -26.7 51 55 A K G > S+ 0 0 148 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.779 118.7 53.6 -50.9 -37.2 -21.0 20.8 -23.5 52 56 A E G 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.734 111.8 44.4 -75.6 -21.6 -23.7 22.8 -25.3 53 57 A W G <> S+ 0 0 58 -3,-1.6 4,-2.4 1,-0.1 -1,-0.2 0.339 85.3 95.4-103.0 6.4 -24.4 20.1 -27.9 54 58 A M H <> S+ 0 0 47 -3,-0.7 4,-2.6 -4,-0.5 5,-0.2 0.911 83.9 49.3 -63.8 -47.8 -24.4 17.1 -25.5 55 59 A N H > S+ 0 0 128 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.911 114.5 46.1 -58.6 -45.4 -28.2 17.0 -25.1 56 60 A H H > S+ 0 0 79 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.893 112.1 50.6 -64.5 -42.6 -28.7 17.1 -28.8 57 61 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.914 112.7 46.6 -62.6 -44.0 -26.1 14.5 -29.5 58 62 A E H X S+ 0 0 50 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.941 117.2 41.4 -64.1 -50.8 -27.6 12.1 -27.0 59 63 A D H X S+ 0 0 102 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.860 116.7 49.3 -65.9 -38.2 -31.3 12.5 -28.1 60 64 A N H >X S+ 0 0 7 -4,-2.4 4,-0.7 -5,-0.2 3,-0.5 0.924 110.5 46.9 -70.2 -47.6 -30.4 12.4 -31.8 61 65 A I H >X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.9 0.908 110.1 56.1 -60.7 -42.8 -28.2 9.3 -31.8 62 66 A K H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 99.7 57.7 -64.5 -26.2 -30.8 7.4 -29.8 63 67 A K H << S+ 0 0 161 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.737 119.7 30.3 -78.9 -18.7 -33.6 8.0 -32.3 64 68 A Y H << S+ 0 0 99 -3,-0.9 2,-0.4 -4,-0.7 -2,-0.2 0.682 124.9 41.1-104.3 -28.0 -31.6 6.3 -35.0 65 69 A I < - 0 0 15 -4,-2.6 -1,-0.2 -5,-0.1 5,-0.1 -0.971 51.2-171.7-134.4 121.0 -29.5 3.8 -33.1 66 70 A S + 0 0 128 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.063 41.2 136.8 -97.4 23.3 -30.8 1.6 -30.2 67 71 A D > - 0 0 41 1,-0.1 3,-0.9 2,-0.0 -2,-0.1 -0.538 49.1-145.8 -81.0 138.6 -27.3 0.2 -29.2 68 72 A D T 3 S+ 0 0 134 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.684 89.5 65.9 -77.4 -21.7 -26.4 0.0 -25.5 69 73 A R T 3 S+ 0 0 29 -27,-0.1 -24,-3.5 -25,-0.1 2,-0.4 0.436 75.1 106.4 -89.4 5.7 -22.7 0.7 -25.8 70 74 A I E < +c 45 0A 18 -3,-0.9 2,-0.4 -26,-0.2 -24,-0.2 -0.704 41.9 170.5 -81.7 126.5 -23.1 4.3 -27.0 71 75 A V E -c 46 0A 25 -26,-2.1 -24,-2.6 -2,-0.4 2,-0.5 -0.989 25.6-142.1-138.1 127.7 -22.3 7.0 -24.4 72 76 A V E +c 47 0A 12 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.787 28.2 178.5 -87.6 127.2 -22.1 10.8 -25.1 73 77 A I E -c 48 0A 9 -26,-2.6 -24,-1.8 -2,-0.5 2,-0.4 -0.819 33.0 -88.4-126.1 168.0 -19.3 12.4 -23.1 74 78 A E E -c 49 0A 91 -2,-0.3 -26,-0.1 -26,-0.2 2,-0.0 -0.606 38.4-141.3 -83.9 131.4 -17.9 15.9 -22.8 75 79 A G - 0 0 16 -26,-2.6 -24,-0.2 -2,-0.4 2,-0.2 -0.235 12.0-128.1 -77.2 171.4 -15.1 17.1 -25.2 76 80 A G - 0 0 28 2,-0.4 6,-0.1 3,-0.1 -1,-0.1 -0.479 29.2 -99.8-107.0-175.4 -12.1 19.2 -24.4 77 81 A E S S+ 0 0 177 -2,-0.2 2,-0.3 -27,-0.0 3,-0.0 0.786 108.9 47.6 -73.4 -30.0 -10.6 22.4 -26.0 78 82 A D S > S- 0 0 35 1,-0.1 4,-2.1 0, 0.0 -2,-0.4 -0.780 82.9-127.1-111.6 152.8 -8.1 20.3 -27.8 79 83 A R H > S+ 0 0 47 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.878 116.9 49.8 -62.3 -39.9 -8.5 17.1 -29.8 80 84 A N H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 110.6 48.2 -61.8 -46.3 -5.8 15.6 -27.6 81 85 A E H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.827 109.2 53.9 -63.3 -36.4 -7.5 16.8 -24.4 82 86 A T H X S+ 0 0 4 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.903 109.5 48.0 -63.4 -42.7 -10.8 15.3 -25.7 83 87 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 3,-0.4 0.930 111.1 50.6 -59.6 -47.4 -8.9 12.0 -26.2 84 88 A M H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.794 107.2 54.3 -60.5 -33.5 -7.5 12.3 -22.6 85 89 A N H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.794 106.0 53.2 -68.9 -31.7 -11.1 13.0 -21.4 86 90 A G H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.876 111.1 44.6 -68.3 -41.5 -12.1 9.7 -23.1 87 91 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.906 113.8 51.1 -69.0 -40.5 -9.4 7.8 -21.3 88 92 A R H X S+ 0 0 112 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.848 110.0 49.8 -63.9 -36.8 -10.3 9.6 -18.0 89 93 A F H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.914 111.3 48.1 -66.2 -45.2 -14.0 8.7 -18.5 90 94 A V H X>S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-2.0 0.924 111.8 50.0 -61.6 -46.9 -13.1 5.0 -19.1 91 95 A E H <5S+ 0 0 112 -4,-2.4 5,-0.3 3,-0.2 -1,-0.2 0.860 115.9 42.2 -58.0 -42.6 -10.9 4.8 -16.1 92 96 A K H <5S+ 0 0 186 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 125.8 30.8 -74.1 -44.5 -13.5 6.4 -13.8 93 97 A T H <5S+ 0 0 74 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.888 139.5 9.7 -85.9 -43.0 -16.5 4.5 -15.1 94 98 A Y T <5S- 0 0 86 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.641 101.1-115.6-115.6 -21.5 -15.2 1.1 -16.2 95 99 A G < - 0 0 31 -5,-2.0 2,-0.4 -6,-0.2 -3,-0.1 0.163 24.9-104.7 89.5 147.8 -11.6 0.9 -15.0 96 100 A L - 0 0 34 -5,-0.3 2,-0.2 73,-0.0 -9,-0.0 -0.878 27.8-176.2-110.3 139.0 -8.4 0.8 -17.0 97 101 A T > - 0 0 70 -2,-0.4 3,-0.5 -95,-0.1 73,-0.3 -0.697 40.3-107.4-115.4 179.0 -6.0 -2.1 -17.6 98 102 A D T 3 S+ 0 0 108 -2,-0.2 73,-0.2 1,-0.2 72,-0.1 0.591 115.6 52.3 -82.4 -12.7 -2.6 -2.1 -19.5 99 103 A D T 3 S+ 0 0 108 69,-0.1 2,-0.3 71,-0.1 -1,-0.2 0.424 78.9 120.1-103.4 -2.2 -4.1 -4.0 -22.6 100 104 A D < - 0 0 3 -3,-0.5 69,-2.7 -99,-0.1 70,-0.4 -0.495 44.0-166.2 -72.2 126.6 -7.0 -1.6 -23.2 101 105 A I E -aD 3 168A 0 -99,-1.5 -97,-2.4 -2,-0.3 2,-0.4 -0.798 9.3-152.2-114.8 155.5 -7.1 0.0 -26.6 102 106 A I E -aD 4 167A 0 65,-2.8 65,-2.3 -2,-0.3 2,-0.7 -0.992 6.1-153.4-129.8 132.0 -9.0 2.9 -28.1 103 107 A V E -aD 5 166A 0 -99,-2.5 -97,-2.7 -2,-0.4 2,-0.3 -0.903 20.2-165.0-103.5 103.3 -10.0 3.6 -31.8 104 108 A T E +aD 6 165A 0 61,-2.1 61,-2.1 -2,-0.7 2,-0.3 -0.713 13.4 173.6 -90.5 141.1 -10.4 7.4 -32.1 105 109 A H E -a 7 0A 0 -99,-2.5 -97,-2.6 -2,-0.3 2,-0.3 -0.993 36.1-103.0-154.1 141.0 -12.1 8.7 -35.3 106 110 A D E > -a 8 0A 17 -2,-0.3 3,-1.8 -99,-0.2 -97,-0.2 -0.453 22.2-144.6 -61.7 121.3 -13.5 11.9 -36.9 107 111 A A T 3 S+ 0 0 1 -99,-2.7 -75,-0.3 -2,-0.3 -1,-0.1 0.813 100.7 59.2 -49.2 -36.4 -17.3 12.2 -36.6 108 112 A V T 3 S+ 0 0 11 -100,-0.4 105,-2.9 1,-0.2 -1,-0.3 0.176 86.0 83.1 -88.7 16.8 -17.3 13.8 -40.1 109 113 A R X + 0 0 14 -3,-1.8 3,-0.7 103,-0.2 -1,-0.2 -0.725 48.5 157.3-113.0 81.6 -15.6 10.7 -41.7 110 114 A P T 3 + 0 0 0 0, 0.0 -75,-0.1 0, 0.0 -1,-0.1 0.661 57.0 71.3 -82.4 -11.7 -18.7 8.5 -42.3 111 115 A F T 3 + 0 0 2 100,-0.4 98,-0.1 98,-0.2 2,-0.1 0.166 59.7 130.2 -98.3 16.6 -17.2 6.3 -45.1 112 116 A L < - 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0 0 71 1,-0.1 3,-1.3 3,-0.1 4,-0.5 -0.234 43.2-133.4 -51.8 128.9 10.4 10.7 -53.1 155 159 A R G >4 S+ 0 0 125 1,-0.3 3,-1.7 2,-0.2 -19,-0.3 0.864 100.6 57.9 -55.5 -46.1 6.8 9.9 -54.1 156 160 A D G 34 S+ 0 0 84 1,-0.3 -1,-0.3 -21,-0.1 -2,-0.1 0.671 102.5 57.4 -64.8 -17.7 6.6 6.4 -52.6 157 161 A H G <4 S+ 0 0 46 -3,-1.3 218,-2.2 217,-0.1 2,-0.4 0.686 87.7 97.5 -81.2 -21.3 7.5 7.8 -49.1 158 162 A M E << +G 374 0A 6 -3,-1.7 -22,-2.2 -4,-0.5 2,-0.3 -0.586 46.2 170.8 -87.6 125.7 4.5 10.3 -49.1 159 163 A Y E -GE 373 135A 22 214,-2.3 214,-2.2 -2,-0.4 2,-0.5 -0.916 26.7-133.4-127.6 154.0 1.2 9.5 -47.3 160 164 A Q E -GE 372 134A 5 -26,-3.5 -26,-1.9 -2,-0.3 212,-0.2 -0.928 29.3-120.4-107.8 130.3 -1.9 11.5 -46.5 161 165 A G E + E 0 133A 7 210,-3.5 210,-0.3 -2,-0.5 -28,-0.2 -0.459 39.1 159.2 -73.9 132.6 -3.3 11.3 -42.9 162 166 A Q E - 0 0 11 -30,-3.0 -30,-0.5 -2,-0.2 49,-0.1 -0.598 32.6 -72.7-123.5-167.8 -6.8 10.0 -42.2 163 167 A T E S+ 0 0 7 47,-0.3 2,-0.2 -2,-0.2 -58,-0.1 -0.897 79.4 79.9-125.0 162.9 -8.5 8.6 -39.2 164 168 A P E - 0 0 0 0, 0.0 -32,-1.2 0, 0.0 2,-0.4 0.384 51.0-176.7 -61.1 156.5 -9.0 6.2 -37.2 165 169 A Q E -DE 104 131A 11 -61,-2.1 -61,-2.1 -34,-0.2 2,-0.4 -0.981 12.0-164.7-126.9 118.3 -5.9 6.7 -35.0 166 170 A S E +DE 103 130A 0 -36,-1.1 -36,-2.4 -2,-0.4 2,-0.3 -0.872 10.3 175.1-116.7 143.8 -5.8 3.9 -32.5 167 171 A F E -DE 102 129A 0 -65,-2.3 -65,-2.8 -2,-0.4 2,-0.5 -0.976 42.4-105.5-142.3 149.5 -3.8 3.6 -29.3 168 172 A N E > -D 101 0A 26 -40,-1.9 4,-2.1 -2,-0.3 5,-0.3 -0.705 44.1-136.8 -63.2 124.7 -3.0 1.6 -26.3 169 173 A M H > S+ 0 0 0 -69,-2.7 4,-2.1 -2,-0.5 5,-0.2 0.925 96.6 43.4 -59.9 -51.5 -4.9 3.8 -23.8 170 174 A K H > S+ 0 0 56 -70,-0.4 4,-2.6 -73,-0.3 5,-0.2 0.910 113.3 53.7 -62.5 -45.9 -2.3 3.9 -20.9 171 175 A K H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 113.1 39.9 -51.5 -56.3 0.6 4.3 -23.4 172 176 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.856 114.1 54.1 -68.7 -35.3 -0.8 7.4 -25.1 173 177 A F H X S+ 0 0 50 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.940 113.4 43.2 -62.2 -48.1 -2.1 8.9 -21.9 174 178 A N H X S+ 0 0 82 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.888 112.6 52.7 -61.1 -44.3 1.4 8.6 -20.4 175 179 A H H < S+ 0 0 33 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.864 112.3 44.7 -63.3 -39.4 3.1 9.9 -23.5 176 180 A Y H >< S+ 0 0 10 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.913 111.8 51.8 -68.0 -46.1 0.9 13.0 -23.6 177 181 A Q H 3< S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.787 101.7 62.0 -64.5 -29.0 1.3 13.8 -19.9 178 182 A N T 3< S+ 0 0 130 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.633 87.2 99.6 -69.7 -17.5 5.1 13.5 -20.2 179 183 A L S < S- 0 0 38 -3,-1.3 -3,-0.0 -4,-0.3 14,-0.0 -0.234 80.6-107.7 -68.6 157.9 5.2 16.5 -22.6 180 184 A T >> - 0 0 80 1,-0.1 4,-1.5 0, 0.0 3,-0.6 -0.498 38.2-101.3 -78.9 156.2 6.0 20.1 -21.6 181 185 A P H 3> S+ 0 0 104 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.871 122.8 39.3 -44.7 -49.9 3.1 22.6 -21.5 182 186 A E H 3> S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.683 107.5 62.9 -80.4 -17.7 3.9 24.2 -24.8 183 187 A K H <> S+ 0 0 111 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.781 100.7 54.6 -73.9 -28.3 4.8 20.9 -26.5 184 188 A K H < S+ 0 0 45 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.829 109.5 47.3 -66.7 -35.4 1.1 19.9 -25.9 185 189 A Q H < S+ 0 0 127 -4,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.816 116.9 43.4 -75.2 -33.9 0.1 23.1 -27.7 186 190 A I H < S+ 0 0 113 -4,-1.7 2,-1.5 1,-0.2 -2,-0.2 0.945 103.2 66.2 -75.1 -52.5 2.6 22.4 -30.6 187 191 A L < + 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 6,-0.1 -0.558 53.2 159.7 -81.6 87.5 1.9 18.6 -31.0 188 192 A T + 0 0 90 -2,-1.5 2,-0.5 -3,-0.1 -1,-0.2 0.807 54.9 78.5 -76.2 -32.3 -1.7 18.4 -32.3 189 193 A D > - 0 0 19 -3,-0.2 4,-1.3 1,-0.1 3,-0.3 -0.698 64.6-157.8 -86.0 123.1 -1.3 14.9 -33.8 190 194 A A H > S+ 0 0 1 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.727 95.0 56.5 -71.8 -23.3 -1.5 12.1 -31.2 191 195 A C H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.770 103.4 55.1 -73.9 -29.8 0.4 9.7 -33.6 192 196 A K H > S+ 0 0 41 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.866 104.1 53.8 -69.3 -40.1 3.3 12.3 -33.7 193 197 A I H X S+ 0 0 3 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.906 110.7 46.3 -58.4 -46.3 3.5 12.2 -29.9 194 198 A C H <>S+ 0 0 1 -4,-1.3 5,-2.3 2,-0.2 -1,-0.2 0.845 111.6 52.5 -64.6 -38.1 3.9 8.4 -30.0 195 199 A L H ><5S+ 0 0 32 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.923 110.4 46.5 -63.1 -46.7 6.4 8.7 -32.8 196 200 A L H 3<5S+ 0 0 110 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 108.1 57.2 -70.8 -23.9 8.6 11.1 -30.9 197 201 A A T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.378 123.1-104.1 -87.0 1.3 8.4 8.9 -27.7 198 202 A G T < 5S+ 0 0 62 -3,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.455 72.6 140.3 93.8 2.4 9.8 6.0 -29.7 199 203 A D < - 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0 0 0 0, 0.0 -32,-1.1 0, 0.0 2,-0.4 0.368 50.9-176.6 -59.5 154.9 0.2 24.9 -64.1 397 169 B Q E -QR 336 363C 13 -61,-2.5 -61,-2.3 -34,-0.2 2,-0.4 -0.985 10.1-164.0-126.2 122.4 4.0 24.5 -64.0 398 170 B S E +QR 335 362C 0 -36,-1.0 -36,-2.4 -2,-0.4 2,-0.3 -0.889 10.4 175.7-117.4 143.6 5.6 27.3 -65.9 399 171 B F E -QR 334 361C 0 -65,-2.3 -65,-2.6 -2,-0.4 2,-0.5 -0.959 42.7-103.8-140.9 151.7 9.2 27.5 -67.1 400 172 B N E > -Q 333 0C 27 -40,-2.5 4,-2.2 -2,-0.3 5,-0.3 -0.746 44.7-138.3 -64.4 121.6 11.8 29.4 -69.0 401 173 B M H > S+ 0 0 0 -69,-2.6 4,-1.8 -2,-0.5 -1,-0.1 0.866 95.5 42.7 -60.3 -44.8 11.8 27.2 -72.1 402 174 B K H > S+ 0 0 58 -70,-0.4 4,-2.5 -73,-0.3 -1,-0.2 0.916 113.2 53.7 -71.8 -44.1 15.5 27.0 -72.9 403 175 B K H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.929 113.0 41.1 -49.7 -57.1 16.4 26.6 -69.2 404 176 B V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.864 113.6 53.9 -68.1 -35.4 14.1 23.6 -68.6 405 177 B F H X S+ 0 0 49 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.906 112.8 44.3 -62.2 -42.8 15.1 22.0 -72.0 406 178 B N H X S+ 0 0 81 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.899 112.3 51.5 -66.9 -43.5 18.8 22.3 -71.0 407 179 B H H < S+ 0 0 36 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.862 112.4 46.3 -62.3 -39.6 18.3 20.9 -67.5 408 180 B Y H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.911 110.0 51.6 -69.7 -45.2 16.4 17.9 -68.8 409 181 B Q H 3< S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 101.6 62.3 -67.1 -23.7 18.9 17.0 -71.6 410 182 B N T 3< S+ 0 0 132 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.617 85.4 101.5 -75.6 -15.7 21.8 17.1 -69.1 411 183 B L S < S- 0 0 36 -3,-1.3 5,-0.0 -4,-0.3 -3,-0.0 -0.359 79.3-111.0 -70.3 149.1 20.3 14.2 -67.1 412 184 B T > - 0 0 79 1,-0.1 4,-1.5 -2,-0.1 3,-0.3 -0.420 33.2-105.5 -72.9 154.6 21.5 10.6 -67.5 413 185 B P H > S+ 0 0 108 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.815 123.1 48.0 -50.3 -36.7 19.1 8.1 -69.1 414 186 B E H > S+ 0 0 147 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.855 109.0 53.1 -71.4 -38.1 18.4 6.5 -65.7 415 187 B K H > S+ 0 0 104 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.680 101.1 59.5 -75.9 -21.7 17.7 9.9 -64.1 416 188 B K H < S+ 0 0 44 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.820 106.2 49.8 -70.6 -33.6 15.2 10.9 -66.8 417 189 B Q H < S+ 0 0 150 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.843 115.2 42.3 -70.7 -37.6 13.1 7.8 -65.8 418 190 B I H < S+ 0 0 102 -4,-1.3 2,-1.5 1,-0.2 3,-0.2 0.933 102.5 67.9 -75.9 -49.4 13.2 8.7 -62.0 419 191 B L < + 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -107,-0.1 -0.580 53.0 157.6 -82.8 88.2 12.6 12.4 -62.2 420 192 B T + 0 0 78 -2,-1.5 2,-0.5 -3,-0.1 -1,-0.2 0.812 54.6 77.3 -80.3 -35.4 9.0 12.6 -63.4 421 193 B D > - 0 0 17 -3,-0.2 4,-1.0 1,-0.1 3,-0.3 -0.685 65.6-157.7 -80.8 124.9 8.4 16.1 -62.0 422 194 B A H > S+ 0 0 2 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.743 92.3 60.2 -74.6 -24.0 9.9 18.9 -64.2 423 195 B C H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.799 101.6 53.4 -70.6 -32.2 9.9 21.3 -61.3 424 196 B K H > S+ 0 0 38 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.817 102.3 58.6 -71.1 -33.9 12.2 18.9 -59.3 425 197 B I H X S+ 0 0 5 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.906 108.6 44.9 -59.8 -44.7 14.7 18.8 -62.2 426 198 B C H X>S+ 0 0 1 -4,-1.2 5,-2.7 2,-0.2 4,-0.8 0.853 112.1 53.2 -66.9 -37.6 15.1 22.6 -61.9 427 199 B L H <5S+ 0 0 33 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.899 109.3 47.7 -62.4 -43.8 15.3 22.3 -58.1 428 200 B L H <5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.560 110.9 52.0 -77.1 -11.1 18.1 19.8 -58.4 429 201 B A H <5S- 0 0 54 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.546 124.1-101.9 -97.6 -13.5 20.0 21.9 -60.9 430 202 B G T <5S+ 0 0 57 -4,-0.8 -3,-0.2 -3,-0.5 2,-0.2 0.497 72.1 139.9 107.0 6.6 19.8 25.0 -58.6 431 203 B D < - 0 0 22 -5,-2.7 2,-0.6 -6,-0.1 -1,-0.3 -0.518 56.6-115.8 -74.6 147.4 17.0 27.1 -60.1 432 204 B D - 0 0 103 -73,-0.3 2,-0.9 -2,-0.2 -71,-0.3 -0.788 24.8-157.1 -81.9 117.8 14.5 28.8 -57.8 433 205 B V - 0 0 0 -2,-0.6 -284,-2.4 -284,-0.3 -71,-0.3 -0.870 14.9-150.4 -98.4 102.0 11.1 27.3 -58.3 434 206 B K E -Ms 148 362C 49 -73,-2.2 -71,-2.5 -2,-0.9 2,-0.4 -0.300 9.7-123.5 -69.8 154.2 8.6 29.9 -57.1 435 207 B L E - s 0 363C 20 -288,-2.5 2,-0.4 -73,-0.2 -71,-0.2 -0.832 19.0-169.7-102.0 138.2 5.2 29.0 -55.7 436 208 B V E - s 0 364C 6 -73,-2.2 -71,-2.5 -2,-0.4 2,-0.3 -0.991 31.0-119.9-118.9 130.9 1.9 30.3 -57.0 437 209 B K E - s 0 365C 123 -2,-0.4 -71,-0.2 -73,-0.2 -86,-0.1 -0.565 32.2-165.4 -76.6 133.4 -1.1 29.4 -54.8 438 210 B G - 0 0 0 -73,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.187 19.8 -96.4 -92.1-148.8 -3.7 27.3 -56.4 439 211 B E > - 0 0 43 1,-0.1 3,-1.1 3,-0.1 -1,-0.1 -0.977 15.8-124.9-136.4 153.3 -7.3 26.5 -55.4 440 212 B I T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.2 -74,-0.0 0.863 116.0 51.5 -59.3 -36.5 -8.9 23.6 -53.5 441 213 B F T 3 S+ 0 0 63 1,-0.2 2,-2.2 -98,-0.1 -1,-0.2 0.472 78.3 99.8 -82.6 -2.5 -11.2 23.2 -56.6 442 214 B N < + 0 0 0 -3,-1.1 -47,-0.3 -100,-0.1 -1,-0.2 -0.295 62.6 163.3 -76.7 56.4 -8.3 23.1 -59.1 443 215 B I - 0 0 14 -2,-2.2 2,-0.5 -49,-0.1 -100,-0.4 -0.381 44.2-119.9 -86.6 155.4 -8.7 19.3 -59.1 444 216 B K - 0 0 91 -103,-0.1 2,-1.1 -2,-0.1 -103,-0.2 -0.818 26.0-139.1 -89.4 122.0 -7.4 16.7 -61.6 445 217 B I + 0 0 3 -105,-2.6 6,-0.1 -2,-0.5 -104,-0.0 -0.726 58.5 114.9 -90.8 96.6 -10.3 14.7 -63.1 446 218 B T + 0 0 53 -2,-1.1 -1,-0.2 1,-0.2 5,-0.1 0.599 58.4 50.4-118.5 -77.5 -9.2 11.1 -63.3 447 219 B T S > S- 0 0 55 -3,-0.2 4,-2.0 1,-0.1 -1,-0.2 -0.066 84.5-111.1 -63.7 160.3 -11.2 8.7 -61.1 448 220 B P H > S+ 0 0 97 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.740 126.1 58.1 -62.4 -23.2 -15.1 8.4 -61.0 449 221 B Y H >> S+ 0 0 51 2,-0.2 4,-1.7 1,-0.1 3,-0.7 0.984 108.4 42.5 -58.2 -62.1 -14.4 9.8 -57.6 450 222 B D H 3> S+ 0 0 31 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.733 108.4 62.3 -57.4 -28.9 -12.7 12.8 -59.2 451 223 B L H 3X S+ 0 0 56 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.883 109.6 36.6 -68.9 -40.9 -15.4 13.1 -61.9 452 224 B K H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 3,-0.6 0.786 108.6 53.7 -68.5 -33.0 -15.9 18.1 -60.5 455 227 B N H 3X S+ 0 0 50 -4,-0.8 4,-0.8 1,-0.2 -2,-0.2 0.734 100.5 61.8 -76.0 -23.3 -19.7 17.8 -60.8 456 228 B A H 3< S+ 0 0 10 -4,-1.4 4,-0.3 1,-0.1 -1,-0.2 0.686 109.6 42.5 -67.8 -21.8 -20.0 19.1 -57.2 457 229 B I H <> S+ 0 0 13 -3,-0.6 4,-0.7 -4,-0.3 3,-0.3 0.877 107.3 54.5 -93.2 -44.5 -18.3 22.3 -58.4 458 230 B I H X S+ 0 0 19 -4,-1.7 4,-0.6 1,-0.2 -2,-0.1 0.741 100.0 56.9 -71.5 -28.5 -19.9 23.2 -61.8 459 231 B Q H < S+ 0 0 123 -4,-0.8 3,-0.3 1,-0.2 -1,-0.2 0.850 105.3 47.6 -79.4 -36.0 -23.6 23.2 -60.9 460 232 B E H 4 S+ 0 0 145 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.713 100.8 71.3 -73.1 -21.5 -23.5 25.9 -58.1 461 233 B R H < 0 0 117 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 360.0 360.0 -68.1 -37.1 -21.4 28.2 -60.3 462 234 B I < 0 0 173 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.968 360.0 360.0 -66.1 360.0 -24.0 29.3 -62.9