==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION,TRANSFERASE 06-APR-10 3AGQ . COMPND 2 MOLECULE: ELONGATION FACTOR TS, ELONGATION FACTOR TU 1, LIN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7, ESCHERICHIA . AUTHOR D.TAKESHITA,K.TOMITA . 1199 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 13.8 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 94 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 6 0 2 3 2 2 4 2 4 2 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 1 1 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 . 8 3 9 4 1 6 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 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 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 5 A T 0 0 115 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 148.1 -29.5 -14.7 37.7 2 6 A A >> + 0 0 10 1,-0.2 3,-2.1 2,-0.2 4,-0.6 0.918 360.0 67.1 -82.6 -48.8 -29.3 -12.8 34.4 3 7 A S T 34 S+ 0 0 92 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.554 108.8 42.1 -54.5 -7.5 -31.3 -15.1 32.1 4 8 A L T 34 S+ 0 0 81 -3,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.447 96.9 68.4-123.6 -4.1 -34.4 -14.3 34.1 5 9 A V T <4 S+ 0 0 0 -3,-2.1 4,-0.4 -4,-0.2 -2,-0.2 0.409 97.4 61.9 -87.2 1.0 -34.1 -10.5 34.6 6 10 A K S X S+ 0 0 79 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.681 95.2 55.9 -95.1 -25.5 -34.6 -10.3 30.9 7 11 A E T 4 S+ 0 0 101 2,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.741 114.4 42.1 -73.2 -23.8 -38.1 -11.9 31.0 8 12 A L T > S+ 0 0 2 -4,-0.4 4,-0.5 2,-0.2 6,-0.3 0.663 114.8 49.5 -95.5 -21.6 -39.0 -9.1 33.4 9 13 A R H > S+ 0 0 12 -4,-0.4 4,-0.8 1,-0.2 -2,-0.2 0.805 110.2 51.3 -82.5 -32.9 -37.2 -6.4 31.4 10 14 A E H < S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.270 112.1 47.2 -90.1 10.7 -38.9 -7.5 28.2 11 15 A R H 4 S+ 0 0 184 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.473 122.9 30.1-118.7 -14.5 -42.4 -7.4 29.9 12 16 A T H < S- 0 0 45 -4,-0.5 -3,-0.2 2,-0.1 -2,-0.1 0.810 81.1-138.2-103.6 -70.2 -42.0 -4.0 31.5 13 17 A G < + 0 0 12 -4,-0.8 -4,-0.1 1,-0.3 -3,-0.1 0.184 61.9 126.6 116.5 -8.6 -39.7 -1.7 29.6 14 18 A A - 0 0 4 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.076 65.8 -61.4 -73.0 179.0 -38.0 -0.4 32.8 15 19 A G - 0 0 2 105,-0.1 352,-0.3 1,-0.1 -1,-0.2 0.034 31.0-127.4 -67.9 167.8 -34.3 -0.5 33.4 16 20 A M S > S+ 0 0 1 350,-1.2 4,-1.2 2,-0.2 351,-0.2 0.778 114.5 39.5 -85.8 -30.5 -31.8 -3.3 33.6 17 21 A M T 4 S+ 0 0 15 349,-2.3 -1,-0.2 2,-0.2 350,-0.1 0.278 116.2 53.1 -99.2 5.7 -30.4 -2.4 37.0 18 22 A D T 4 S+ 0 0 55 348,-0.4 -2,-0.2 3,-0.1 -1,-0.2 0.341 111.8 46.9-107.3 -4.7 -34.0 -1.5 38.0 19 23 A C T 4 S+ 0 0 0 2,-0.1 -2,-0.2 3,-0.1 -3,-0.2 0.714 117.4 39.3-101.2 -33.1 -34.9 -5.0 36.9 20 24 A K S X S+ 0 0 51 -4,-1.2 4,-0.5 2,-0.1 -3,-0.1 0.651 119.5 47.7 -87.9 -19.7 -32.1 -6.9 38.6 21 25 A K T 4 S+ 0 0 126 2,-0.2 4,-0.2 1,-0.1 -3,-0.1 0.729 112.1 45.9 -95.2 -27.1 -32.3 -4.8 41.8 22 26 A A T 4 S+ 0 0 20 -4,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.488 109.5 60.4 -87.6 -5.4 -36.1 -4.9 42.2 23 27 A L T 4 S+ 0 0 21 2,-0.2 5,-0.4 1,-0.2 6,-0.4 0.726 97.5 54.9 -91.7 -27.5 -35.8 -8.6 41.6 24 28 A T S < S+ 0 0 87 -4,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.610 105.2 57.3 -76.4 -13.3 -33.5 -9.2 44.6 25 29 A E S S+ 0 0 140 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.738 103.8 48.7 -87.5 -27.1 -36.3 -7.5 46.6 26 30 A A S S- 0 0 5 -4,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.114 113.6-123.2 -92.4 18.7 -38.9 -10.0 45.5 27 31 A N S S- 0 0 161 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.291 80.4 -36.3 56.7 -10.6 -36.2 -12.6 46.5 28 32 A G S S+ 0 0 52 -5,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.567 97.6 144.1 132.2 41.1 -36.6 -13.9 42.9 29 33 A D > - 0 0 59 -6,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.913 36.0-156.1-116.0 133.5 -40.3 -13.6 41.9 30 34 A I H > S+ 0 0 49 -2,-0.4 4,-1.5 2,-0.2 -1,-0.1 0.973 94.0 31.3 -70.5 -62.1 -41.6 -12.6 38.5 31 35 A E H > S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.665 119.6 59.3 -71.8 -15.4 -45.2 -11.2 39.0 32 36 A L H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.1 3,-0.3 0.959 105.1 44.9 -74.4 -55.0 -43.9 -9.9 42.4 33 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.815 112.0 54.3 -59.2 -34.0 -41.1 -7.7 41.0 34 38 A I H X S+ 0 0 30 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.876 111.1 43.5 -69.8 -37.5 -43.4 -6.4 38.3 35 39 A E H X S+ 0 0 75 -4,-1.1 4,-1.4 -3,-0.3 5,-0.2 0.853 113.2 52.0 -78.0 -34.6 -46.1 -5.2 40.8 36 40 A N H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.903 110.5 48.4 -65.2 -41.8 -43.4 -3.8 43.1 37 41 A M H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.825 103.5 65.9 -66.0 -33.0 -41.9 -1.8 40.2 38 42 A R H >< S+ 0 0 165 -4,-1.3 3,-1.7 1,-0.2 -2,-0.2 0.980 111.5 28.7 -51.6 -70.5 -45.4 -0.6 39.3 39 43 A K H >< S+ 0 0 162 -4,-1.4 3,-1.3 1,-0.3 4,-0.3 0.849 118.3 57.2 -64.6 -35.8 -46.1 1.5 42.4 40 44 A S T 3< S+ 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 4,-0.2 0.416 98.2 72.0 -71.5 6.6 -42.4 2.3 43.0 41 45 A G T <> S+ 0 0 4 -3,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.511 79.4 64.8-103.8 -7.9 -42.6 3.6 39.4 42 46 A A H <> S+ 0 0 37 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.565 92.4 64.6 -91.8 -11.2 -44.6 6.8 40.0 43 47 A I H > S+ 0 0 119 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.796 98.3 57.2 -74.0 -30.6 -41.8 8.3 42.1 44 48 A K H > S+ 0 0 43 -4,-0.2 4,-1.0 2,-0.2 3,-0.3 0.982 108.0 45.4 -57.6 -58.7 -39.9 8.2 38.8 45 49 A A H >X S+ 0 0 1 -4,-1.0 4,-1.6 1,-0.2 3,-1.2 0.915 113.1 48.9 -49.6 -52.7 -42.5 10.3 37.1 46 50 A A H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.8 54.1 -61.5 -31.8 -42.7 12.8 40.0 47 51 A K H 3< S+ 0 0 171 -4,-1.9 3,-0.4 -3,-0.3 -1,-0.3 0.711 107.9 55.2 -70.9 -20.9 -38.9 12.9 39.9 48 52 A K H X< S+ 0 0 31 -3,-1.2 3,-2.1 -4,-1.0 -2,-0.2 0.885 83.1 76.5 -81.1 -44.0 -39.2 13.8 36.2 49 53 A A T 3< S+ 0 0 61 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.349 78.9 78.7 -60.7 11.2 -41.5 16.9 36.3 50 54 A G T 3 S+ 0 0 71 -3,-0.4 -1,-0.3 2,-0.1 2,-0.3 0.313 83.9 79.3 -95.0 4.6 -38.6 18.9 37.4 51 55 A N S < S- 0 0 63 -3,-2.1 2,-0.5 2,-0.0 73,-0.0 -0.807 92.2-102.7-109.3 154.7 -37.4 18.9 33.8 52 56 A V - 0 0 57 -2,-0.3 2,-0.8 23,-0.1 73,-0.1 -0.658 25.9-156.3 -82.6 121.1 -38.7 21.2 31.0 53 57 A A + 0 0 15 -2,-0.5 22,-0.3 1,-0.2 205,-0.1 -0.845 32.8 148.3 -98.3 103.9 -41.0 19.4 28.6 54 58 A A + 0 0 21 -2,-0.8 21,-0.2 21,-0.1 -1,-0.2 0.789 49.4 53.1-110.1 -37.8 -40.8 21.4 25.3 55 59 A D + 0 0 25 19,-0.4 19,-0.6 203,-0.1 203,-0.2 0.195 59.6 114.4 -85.0-153.2 -41.4 19.1 22.3 56 60 A G E -A 73 0A 3 17,-0.3 17,-0.2 201,-0.1 2,-0.1 -0.416 54.1 -79.0 111.6 172.3 -44.2 16.6 21.6 57 61 A V E -A 72 0A 4 15,-1.0 15,-0.9 -2,-0.1 2,-0.3 -0.442 23.8-131.5-108.0 177.7 -47.1 16.2 19.1 58 62 A I E -A 71 0A 1 88,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.964 19.6-161.2-128.6 148.5 -50.6 17.6 18.4 59 63 A K E -A 70 0A 31 11,-0.9 11,-1.5 -2,-0.3 2,-0.4 -0.986 6.4-172.9-138.4 142.0 -53.7 15.6 17.6 60 64 A T E +A 69 0A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 5.7 173.0-140.2 131.8 -57.1 16.3 16.0 61 65 A K E -A 68 0A 100 7,-2.2 7,-1.5 -2,-0.4 2,-0.4 -0.985 8.9-166.0-140.7 131.9 -60.4 14.3 15.6 62 66 A I E -A 67 0A 69 -2,-0.3 2,-0.7 5,-0.3 5,-0.3 -0.947 8.0-157.4-121.9 136.4 -63.8 15.4 14.2 63 67 A D E > S-A 66 0A 108 3,-3.5 2,-3.5 -2,-0.4 3,-1.9 -0.898 71.7 -56.1-115.1 101.6 -67.2 13.6 14.5 64 68 A G T 3 S- 0 0 76 -2,-0.7 75,-0.2 1,-0.3 3,-0.1 -0.318 130.2 -20.4 61.6 -70.4 -69.6 14.7 11.8 65 69 A N T 3 S+ 0 0 65 -2,-3.5 71,-0.9 73,-0.1 2,-0.5 0.073 119.1 96.8-153.5 30.7 -69.1 18.2 13.0 66 70 A Y E < +AB 63 135A 58 -3,-1.9 -3,-3.5 69,-0.2 2,-0.2 -0.953 52.7 172.5-119.0 111.6 -67.8 17.8 16.5 67 71 A G E -AB 62 134A 0 67,-1.9 67,-1.2 -2,-0.5 2,-0.3 -0.696 15.2-169.4-119.2 168.3 -64.0 18.0 16.7 68 72 A I E -AB 61 133A 0 -7,-1.5 -7,-2.2 65,-0.2 2,-0.3 -0.996 4.8-167.6-155.6 154.7 -61.1 18.2 19.2 69 73 A I E +AB 60 132A 0 63,-1.8 63,-1.5 -2,-0.3 2,-0.4 -0.987 7.6 176.6-147.4 130.9 -57.4 18.9 19.5 70 74 A L E -AB 59 131A 0 -11,-1.5 -11,-0.9 -2,-0.3 2,-0.7 -0.989 19.6-145.2-140.4 133.2 -54.8 18.3 22.3 71 75 A E E -A 58 0A 0 59,-1.2 58,-0.5 -2,-0.4 2,-0.5 -0.848 14.1-166.8 -96.9 116.2 -51.1 18.8 22.6 72 76 A V E -AB 57 128A 0 -15,-0.9 -15,-1.0 -2,-0.7 56,-0.2 -0.898 17.2-142.0-101.8 127.7 -49.3 16.2 24.7 73 77 A N E +A 56 0A 6 54,-1.4 54,-0.5 -2,-0.5 -17,-0.3 -0.605 25.7 169.3 -96.0 147.3 -45.7 17.2 25.5 74 78 A C - 0 0 0 -19,-0.6 -19,-0.4 -2,-0.2 52,-0.1 -0.574 38.9-119.5-122.6-162.9 -42.4 15.3 25.9 75 79 A Q S S+ 0 0 37 -22,-0.3 2,-0.4 -2,-0.2 -21,-0.1 0.536 88.0 57.2-117.3 -11.3 -38.9 16.8 26.2 76 80 A T >> - 0 0 18 1,-0.2 4,-1.6 -22,-0.1 3,-0.6 -0.974 67.7-139.9-128.7 132.5 -37.3 15.4 23.1 77 81 A D H >> S+ 0 0 29 -2,-0.4 4,-0.7 1,-0.2 3,-0.6 0.932 103.7 58.5 -36.5 -66.7 -38.1 15.5 19.4 78 82 A F H >4 S+ 0 0 2 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.803 104.8 51.0 -37.8 -47.9 -37.2 11.9 18.9 79 83 A V H X4 S+ 0 0 2 -3,-0.6 3,-3.0 1,-0.2 6,-0.3 0.942 96.5 67.2 -59.8 -50.0 -39.7 10.8 21.4 80 84 A A H << S+ 0 0 7 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.706 110.0 37.8 -45.4 -24.9 -42.6 12.7 19.9 81 85 A K T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.050 91.4 126.2-119.7 26.5 -42.4 10.4 16.9 82 86 A D S <> S- 0 0 5 -3,-3.0 4,-1.0 1,-0.1 5,-0.2 -0.374 73.5-106.4 -85.2 161.7 -41.7 7.1 18.5 83 87 A A H > S+ 0 0 71 288,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.853 117.8 31.5 -49.7 -40.2 -43.5 3.7 18.2 84 88 A G H >> S+ 0 0 28 2,-0.2 4,-1.6 1,-0.1 3,-0.7 0.913 106.7 62.7 -90.9 -48.8 -45.0 4.1 21.7 85 89 A F H 3> S+ 0 0 0 1,-0.3 4,-1.3 -6,-0.3 -2,-0.1 0.667 105.9 51.9 -58.4 -17.5 -45.5 7.9 22.3 86 90 A Q H 3X S+ 0 0 54 -4,-1.0 4,-0.8 2,-0.2 -1,-0.3 0.851 104.6 55.2 -83.1 -37.2 -47.9 7.9 19.4 87 91 A A H S+ 0 0 6 -3,-0.2 4,-0.6 -5,-0.2 -1,-0.2 0.654 111.8 48.1-108.0 -32.5 -57.2 11.6 21.9 94 98 A D H X S+ 0 0 88 -4,-1.3 4,-1.4 1,-0.2 3,-0.4 0.855 113.8 46.2 -75.1 -38.2 -59.7 8.8 21.0 95 99 A A H < S+ 0 0 36 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.488 107.2 60.2 -83.9 -4.6 -61.1 8.6 24.5 96 100 A A H 4>S+ 0 0 1 -5,-0.2 5,-1.5 2,-0.1 -1,-0.2 0.664 105.8 47.8 -91.1 -21.7 -61.4 12.4 24.6 97 101 A V H <5S+ 0 0 13 -4,-0.6 3,-0.4 -3,-0.4 -2,-0.2 0.958 117.8 35.3 -81.8 -63.9 -63.7 12.5 21.6 98 102 A A T <5S+ 0 0 86 -4,-1.4 2,-2.1 1,-0.3 -3,-0.1 0.987 127.3 39.4 -50.1 -79.1 -66.3 9.8 22.5 99 103 A G T 5S- 0 0 47 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.1 -0.556 106.0-140.3 -70.1 82.3 -66.2 10.7 26.2 100 104 A K T 5 - 0 0 55 -2,-2.1 2,-0.6 -3,-0.4 -3,-0.2 -0.269 23.6-173.1 -60.2 119.2 -66.0 14.4 25.4 101 105 A I < + 0 0 12 -5,-1.5 -1,-0.1 1,-0.2 6,-0.1 -0.886 24.4 154.7-121.4 100.2 -63.6 16.1 27.7 102 106 A T + 0 0 102 -2,-0.6 29,-0.2 30,-0.1 -1,-0.2 0.930 62.5 77.5 -80.9 -56.8 -63.2 19.9 27.6 103 107 A D S S- 0 0 105 1,-0.1 4,-0.5 2,-0.1 3,-0.3 -0.318 77.2-145.9 -55.6 130.4 -62.0 20.4 31.2 104 108 A V S >> S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.924 88.3 62.2 -70.2 -49.8 -58.3 19.4 31.2 105 109 A E H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.781 89.4 76.5 -51.3 -31.5 -57.9 17.8 34.6 106 110 A V H 3> S+ 0 0 65 -3,-0.3 4,-1.2 1,-0.2 3,-0.4 0.927 106.7 25.5 -42.6 -64.9 -60.4 15.1 33.7 107 111 A L H <> S+ 0 0 3 -3,-0.8 4,-1.0 -4,-0.5 5,-0.3 0.681 110.9 69.4 -84.2 -18.6 -58.1 13.1 31.4 108 112 A K H < S+ 0 0 61 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.835 116.5 27.3 -65.7 -31.0 -54.8 14.1 33.0 109 113 A A H < S+ 0 0 65 -4,-1.6 4,-0.3 -3,-0.4 -2,-0.2 0.605 114.2 63.4-104.2 -18.7 -55.9 12.1 36.1 110 114 A Q H < S+ 0 0 111 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.641 122.7 24.5 -76.1 -17.2 -58.1 9.6 34.3 111 115 A F S >X S+ 0 0 17 -4,-1.0 3,-1.8 -5,-0.1 4,-1.2 0.567 91.6 110.4-112.9 -25.9 -54.9 8.5 32.5 112 116 A E H 3> S+ 0 0 62 -4,-0.3 4,-0.6 1,-0.3 -2,-0.1 0.593 79.4 51.8 -26.7 -32.4 -52.5 9.6 35.3 113 117 A E H >4 S+ 0 0 136 -4,-0.3 3,-1.0 1,-0.2 -1,-0.3 0.939 110.6 44.3 -76.5 -49.7 -51.7 6.0 36.1 114 118 A E H <4 S+ 0 0 65 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.558 105.5 67.8 -69.0 -8.1 -50.9 4.9 32.5 115 119 A R H >X S+ 0 0 14 -4,-1.2 4,-1.3 1,-0.2 3,-0.5 0.735 99.3 46.4 -84.9 -26.2 -48.9 8.2 32.3 116 120 A V H S+ 0 0 21 -3,-0.5 4,-3.2 2,-0.1 5,-0.5 0.681 109.2 59.0-112.4 -58.2 -44.5 5.6 30.0 119 123 A V H < S+ 0 0 1 -4,-1.3 4,-0.5 1,-0.2 -3,-0.1 0.792 110.8 51.2 -43.4 -30.8 -42.2 7.9 32.0 120 124 A A T < S+ 0 0 19 -4,-0.6 -1,-0.2 2,-0.2 -105,-0.1 0.974 113.2 39.7 -70.1 -59.0 -41.0 4.7 33.5 121 125 A K T 4 S+ 0 0 63 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.803 134.1 22.8 -61.9 -32.7 -40.3 2.8 30.2 122 126 A I S < S- 0 0 9 -4,-3.2 -3,-0.2 248,-0.1 -2,-0.2 0.860 88.3-137.1-104.4 -54.0 -38.8 5.8 28.5 123 127 A G + 0 0 14 -5,-0.5 2,-0.4 -4,-0.5 177,-0.1 0.806 56.5 122.7 95.8 34.7 -37.6 8.3 31.1 124 128 A E S S- 0 0 3 -6,-0.1 2,-0.8 175,-0.0 -1,-0.3 -0.984 72.3-104.9-126.1 140.0 -38.8 11.6 29.7 125 129 A N + 0 0 10 -2,-0.4 2,-0.6 -77,-0.2 -80,-0.0 -0.483 46.9 179.4 -62.6 104.6 -41.0 14.2 31.3 126 130 A I + 0 0 7 -2,-0.8 2,-0.6 -11,-0.2 -52,-0.2 -0.871 6.4 169.2-118.7 96.7 -44.3 13.5 29.4 127 131 A N - 0 0 46 -2,-0.6 -54,-1.4 -54,-0.5 2,-1.4 -0.912 33.4-137.9-114.9 107.9 -47.2 15.7 30.5 128 132 A I E -B 72 0A 7 -2,-0.6 -56,-0.2 -56,-0.2 3,-0.1 -0.439 39.8-171.4 -60.8 91.9 -50.4 15.7 28.5 129 133 A R E - 0 0 79 -2,-1.4 -58,-0.1 -58,-0.5 -1,-0.0 -0.079 34.9 -8.9 -84.6-173.7 -50.9 19.5 28.7 130 134 A R E - 0 0 60 -60,-0.1 -59,-1.2 1,-0.1 2,-0.3 0.481 58.0-177.8 -23.8 141.1 -53.8 21.6 27.7 131 135 A V E +B 70 0A 14 -29,-0.2 2,-0.3 -61,-0.2 -61,-0.2 -0.989 6.9 163.2-141.4 148.2 -56.8 20.4 25.6 132 136 A A E -B 69 0A 28 -63,-1.5 -63,-1.8 -2,-0.3 2,-0.3 -0.928 18.1-144.9-151.6 173.5 -59.9 22.0 24.2 133 137 A A E -B 68 0A 30 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.991 5.0-160.8-147.4 155.2 -62.6 21.3 21.6 134 138 A L E -B 67 0A 35 -67,-1.2 -67,-1.9 -2,-0.3 2,-0.4 -0.973 2.3-169.2-136.3 146.9 -64.8 23.2 19.1 135 139 A E E +B 66 0A 121 -2,-0.3 2,-0.2 -69,-0.2 -69,-0.2 -0.992 17.5 148.7-140.6 132.9 -68.0 22.5 17.2 136 140 A G - 0 0 8 -71,-0.9 3,-0.3 -2,-0.4 113,-0.0 -0.616 59.4 -84.6-137.6-161.2 -69.6 24.3 14.3 137 141 A D S S+ 0 0 111 1,-0.4 2,-0.5 -2,-0.2 18,-0.2 0.959 121.3 8.0 -81.0 -57.7 -71.8 23.5 11.4 138 142 A V S S+ 0 0 53 16,-0.3 16,-2.2 -3,-0.1 2,-0.5 -0.939 83.3 177.5-119.0 106.0 -69.0 22.5 9.1 139 143 A L E -C 153 0B 9 -2,-0.5 14,-0.3 -3,-0.3 2,-0.2 -0.949 6.2-170.7-113.1 123.6 -65.8 22.4 11.1 140 144 A G E -C 152 0B 12 12,-2.1 12,-2.5 -2,-0.5 2,-0.3 -0.614 7.2-147.9-111.6 168.1 -62.5 21.4 9.4 141 145 A S E -C 151 0B 47 -2,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.974 5.2-162.1-138.2 148.9 -58.9 20.6 10.5 142 146 A Y E -C 150 0B 19 8,-1.0 8,-1.9 -2,-0.3 2,-0.5 -0.998 6.6-163.5-130.9 137.2 -55.4 20.8 9.2 143 147 A Q E -C 149 0B 67 -2,-0.4 2,-1.1 6,-0.2 6,-0.2 -0.949 6.6-159.6-127.3 113.8 -52.3 18.9 10.5 144 148 A H E >> S-C 148 0B 27 4,-1.6 2,-3.3 -2,-0.5 3,-1.6 -0.751 70.5 -64.0 -92.5 92.8 -48.8 20.0 9.6 145 149 A G T 34 S- 0 0 82 -2,-1.1 -1,-0.1 1,-0.3 -2,-0.0 -0.333 96.1 -66.4 61.0 -70.2 -46.7 16.8 10.2 146 150 A A T 34 S+ 0 0 29 -2,-3.3 -88,-1.1 -89,-0.1 -1,-0.3 0.275 116.9 93.8 173.0 3.4 -47.6 17.0 13.9 147 151 A R T <4 S+ 0 0 104 -3,-1.6 110,-2.0 1,-0.2 2,-0.3 0.744 93.5 26.0 -84.0 -23.2 -46.0 20.1 15.3 148 152 A I E < -CD 144 256B 6 -4,-0.8 -4,-1.6 108,-0.2 2,-0.4 -1.000 66.4-168.8-146.4 137.3 -49.0 22.4 14.9 149 153 A G E -CD 143 255B 0 106,-3.0 106,-2.3 -2,-0.3 2,-0.4 -0.990 4.2-158.6-137.0 133.0 -52.7 21.8 14.7 150 154 A V E -CD 142 254B 0 -8,-1.9 -8,-1.0 -2,-0.4 2,-0.4 -0.849 4.5-167.1-113.4 144.5 -55.7 23.9 13.7 151 155 A L E +CD 141 253B 0 102,-2.0 102,-3.1 -2,-0.4 2,-0.5 -0.946 15.2 179.6-131.4 109.1 -59.4 23.5 14.5 152 156 A V E -CD 140 252B 0 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.5 -0.938 13.3-167.6-122.2 117.4 -61.8 25.7 12.5 153 157 A A E +CD 139 251B 0 98,-2.5 98,-2.5 -2,-0.5 97,-0.7 -0.906 11.7 175.8-103.2 124.6 -65.6 25.9 12.7 154 158 A A > - 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0 0 126 -4,-1.7 2,-0.1 1,-0.2 -4,-0.1 0.814 21.9-165.2 54.0 42.9 -51.8 32.7 13.7 174 178 A P - 0 0 3 0, 0.0 50,-0.2 0, 0.0 -1,-0.2 -0.428 8.9-161.0 -61.3 129.9 -54.9 35.0 13.7 175 179 A E S S+ 0 0 144 48,-1.5 2,-0.3 -2,-0.1 49,-0.2 0.806 75.4 32.9 -80.3 -33.4 -55.6 35.8 17.4 176 180 A F B S-e 224 0C 56 47,-1.2 49,-2.2 44,-0.1 50,-0.2 -0.856 71.1-135.8-120.7 159.5 -59.2 36.9 16.6 177 181 A I S S+ 0 0 24 -2,-0.3 72,-0.1 1,-0.2 47,-0.1 0.694 92.3 13.8 -85.8 -20.0 -61.7 35.7 14.0 178 182 A K S > S- 0 0 71 47,-0.1 3,-1.2 48,-0.1 4,-0.2 -0.988 80.7-108.6-154.9 154.3 -62.8 39.2 13.1 179 183 A P T 3 S+ 0 0 33 0, 0.0 42,-0.1 0, 0.0 41,-0.1 0.401 113.4 58.3 -69.0 4.5 -61.4 42.8 13.7 180 184 A E T 3 S+ 0 0 134 1,-0.1 4,-0.1 40,-0.1 40,-0.0 0.700 81.4 79.2-103.1 -28.0 -64.2 43.6 16.2 181 185 A D < + 0 0 71 -3,-1.2 3,-0.1 2,-0.1 -1,-0.1 0.590 66.8 135.2 -54.8 -10.7 -63.6 40.8 18.7 182 186 A V S S- 0 0 34 -4,-0.2 2,-0.3 1,-0.2 5,-0.1 -0.174 75.9-101.2 -48.3 122.7 -60.8 43.0 20.0 183 187 A S >> - 0 0 62 1,-0.2 4,-1.3 2,-0.1 3,-0.5 -0.289 33.2-140.9 -44.7 102.5 -60.8 43.2 23.7 184 188 A A T 34 S+ 0 0 76 -2,-0.3 4,-0.4 1,-0.3 -1,-0.2 0.559 101.5 43.7 -55.2 -7.6 -62.6 46.6 23.9 185 189 A E T 3> S+ 0 0 70 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.743 103.7 60.1-102.3 -38.3 -60.3 47.4 26.8 186 190 A V T <4 S+ 0 0 85 -3,-0.5 4,-0.5 1,-0.2 -2,-0.2 0.657 117.5 37.4 -60.5 -14.0 -57.0 46.0 25.3 187 191 A V T X S+ 0 0 52 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.701 103.5 64.5-110.8 -31.5 -57.8 48.6 22.6 188 192 A E T 4 S+ 0 0 140 -4,-0.4 -2,-0.2 -5,-0.3 -3,-0.1 0.519 118.0 32.5 -71.0 -1.4 -59.2 51.6 24.6 189 193 A K T < S+ 0 0 146 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.627 108.4 58.9-129.8 -28.2 -55.7 51.7 26.2 190 194 A E T > S+ 0 0 58 -4,-0.5 4,-0.7 -5,-0.2 -2,-0.1 0.639 113.8 46.0 -77.0 -14.4 -53.1 50.6 23.6 191 195 A Y T < S+ 0 0 40 -4,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.601 110.1 52.1 -92.1 -20.7 -54.5 53.6 21.6 192 196 A Q T 4 S+ 0 0 102 -5,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.406 115.6 43.5 -92.7 0.7 -54.4 55.8 24.7 193 197 A V T > S+ 0 0 78 -4,-0.2 4,-0.7 2,-0.1 3,-0.5 0.607 113.5 46.4-112.2 -28.0 -50.7 54.7 25.1 194 198 A Q H X S+ 0 0 39 -4,-0.7 4,-0.7 1,-0.2 5,-0.2 0.591 95.6 79.5 -84.8 -11.5 -49.6 55.0 21.4 195 199 A L H 4 S+ 0 0 23 -4,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.560 97.6 43.6 -69.6 -8.6 -51.4 58.4 21.5 196 200 A D H >>S+ 0 0 93 -3,-0.5 4,-2.7 2,-0.2 5,-0.6 0.747 91.9 80.6 -99.7 -37.6 -48.2 59.7 23.2 197 201 A I H <5S+ 0 0 108 -4,-0.7 -2,-0.2 1,-0.3 4,-0.2 0.764 118.2 15.4 -36.6 -32.9 -45.8 57.8 20.9 198 202 A A T <>S+ 0 0 12 -4,-0.7 5,-1.4 2,-0.1 -1,-0.3 0.586 116.5 70.3-120.5 -20.4 -46.5 60.7 18.6 199 203 A M T 45S+ 0 0 68 -4,-0.3 3,-0.3 -5,-0.2 -2,-0.2 0.780 105.6 44.0 -72.0 -27.7 -48.1 63.4 20.9 200 204 A Q T <5S+ 0 0 170 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.1 0.865 98.2 70.4 -77.5 -41.8 -44.8 63.9 22.6 201 205 A S T > - 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