==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 26-MAR-01 1HA3 . COMPND 2 MOLECULE: ELONGATION FACTOR TU; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR L.VOGELEY,G.J.PALM,J.R.MESTERS,R.HILGENFELD . 770 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 23.5 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 77 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 0 0 0 2 2 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 0 0 4 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 4 6 8 5 3 2 0 0 2 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 2 4 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 3 A G 0 0 98 0, 0.0 262,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.0 15.3 25.5 33.5 2 4 A E E -a 263 0A 149 260,-0.3 2,-0.5 256,-0.1 262,-0.2 -0.808 360.0-140.4-113.2 153.9 17.0 23.3 36.1 3 5 A F E -a 264 0A 23 260,-3.1 262,-0.6 -2,-0.3 2,-0.6 -0.957 14.2-161.3-114.8 124.9 17.4 19.6 36.4 4 6 A I - 0 0 112 -2,-0.5 2,-0.4 260,-0.1 260,-0.1 -0.921 18.4-130.7-109.7 121.9 17.1 18.0 39.9 5 7 A R + 0 0 86 -2,-0.6 -2,-0.0 1,-0.2 4,-0.0 -0.565 50.2 139.8 -70.9 120.6 18.5 14.5 40.4 6 8 A T + 0 0 103 -2,-0.4 -1,-0.2 1,-0.3 3,-0.0 0.512 57.8 40.5-135.9 -20.7 15.7 12.5 42.2 7 9 A K S S- 0 0 44 0, 0.0 -1,-0.3 0, 0.0 55,-0.2 -0.910 96.1 -83.2-130.1 158.5 15.7 9.0 40.7 8 10 A P - 0 0 66 0, 0.0 55,-2.5 0, 0.0 2,-0.3 -0.404 49.6-127.5 -62.4 137.8 18.5 6.6 39.6 9 11 A H E +f 63 0B 20 53,-0.2 2,-0.3 -2,-0.1 55,-0.2 -0.714 29.0 179.5 -92.8 138.5 19.8 7.5 36.1 10 12 A V E -f 64 0B 0 53,-2.4 55,-2.0 -2,-0.3 2,-0.5 -0.991 19.5-141.1-138.2 144.1 20.0 4.9 33.3 11 13 A N E +f 65 0B 0 -2,-0.3 76,-3.7 53,-0.2 77,-0.9 -0.919 32.5 154.3-109.1 124.0 21.1 5.1 29.7 12 14 A V E +f 66 0B 0 53,-2.7 55,-2.1 -2,-0.5 2,-0.3 -0.756 12.8 179.6-135.2-178.7 19.2 3.1 27.0 13 15 A G E -f 67 0B 0 75,-0.5 77,-2.9 53,-0.3 2,-0.5 -0.982 28.7 -94.4-172.3 174.0 18.6 3.2 23.3 14 16 A T E +fg 68 90B 0 53,-1.7 55,-1.3 -2,-0.3 2,-0.3 -0.906 36.2 166.2-112.7 132.0 16.9 1.6 20.3 15 17 A I E + g 0 91B 4 75,-2.5 77,-2.8 -2,-0.5 2,-0.2 -0.799 21.1 104.3-129.7 170.5 18.5 -0.8 17.9 16 18 A G - 0 0 0 -2,-0.3 77,-0.1 86,-0.2 3,-0.1 -0.562 68.4 -39.3 134.4 162.3 17.0 -3.1 15.3 17 19 A H S > S- 0 0 8 75,-0.4 3,-2.1 -2,-0.2 5,-0.3 -0.105 74.0 -82.3 -56.4 147.4 16.6 -3.4 11.5 18 20 A V T 3 S+ 0 0 14 1,-0.3 -1,-0.1 53,-0.2 84,-0.1 -0.198 112.8 10.6 -53.6 134.1 15.7 -0.4 9.3 19 21 A D T 3 S+ 0 0 127 -3,-0.1 -1,-0.3 686,-0.1 -2,-0.1 0.419 90.7 114.5 76.0 1.7 12.0 0.5 9.3 20 22 A H S < S- 0 0 5 -3,-2.1 75,-0.1 72,-0.1 -2,-0.1 0.716 95.2 -90.7 -76.2 -14.9 11.1 -1.9 12.1 21 23 A G S > S+ 0 0 9 -4,-0.3 4,-2.4 71,-0.1 5,-0.2 0.640 76.6 138.5 120.7 16.6 10.2 1.1 14.4 22 24 A K H > S+ 0 0 11 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.926 83.6 40.3 -56.6 -49.9 13.1 2.4 16.5 23 25 A T H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.843 114.5 51.3 -69.8 -35.5 12.2 6.0 16.0 24 26 A T H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 111.7 48.5 -68.6 -40.3 8.5 5.6 16.3 25 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.895 107.9 54.9 -65.8 -39.6 9.0 3.7 19.6 26 28 A T H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.940 111.0 44.9 -59.8 -45.7 11.4 6.4 20.9 27 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 16,-0.3 0.916 112.0 52.2 -64.6 -42.2 8.7 9.1 20.3 28 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.893 105.5 55.8 -60.4 -41.7 6.0 6.9 21.8 29 31 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.893 109.0 46.2 -59.4 -41.8 8.1 6.4 24.9 30 32 A T H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.887 115.7 45.2 -70.4 -38.7 8.4 10.2 25.5 31 33 A F H X S+ 0 0 12 -4,-2.1 4,-0.9 12,-0.2 -2,-0.2 0.930 111.8 51.2 -70.2 -45.8 4.7 10.9 25.0 32 34 A V H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.930 116.0 39.9 -57.6 -49.0 3.5 8.0 27.1 33 35 A T H >X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 3,-1.7 0.807 103.7 69.1 -72.2 -29.2 5.6 8.9 30.1 34 36 A A H 3< S+ 0 0 19 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 88.4 67.2 -59.4 -25.9 5.0 12.6 29.6 35 37 A A T << S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.775 113.6 28.5 -65.7 -26.9 1.4 11.9 30.6 36 38 A E T <4 S+ 0 0 66 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.871 123.2 42.9 -98.6 -56.9 2.6 11.1 34.1 37 39 A N >< - 0 0 35 -4,-2.3 3,-2.0 21,-0.3 -1,-0.3 -0.837 61.4-163.6 -99.0 110.1 5.8 13.2 34.7 38 40 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.757 86.9 74.9 -60.4 -23.8 5.4 16.7 33.4 39 41 A N T 3 S+ 0 0 108 -3,-0.1 2,-0.7 2,-0.1 -5,-0.1 0.557 78.3 93.4 -66.0 -5.7 9.2 17.0 33.6 40 42 A V S < S- 0 0 8 -3,-2.0 2,-0.3 -6,-0.2 17,-0.1 -0.819 73.2-145.4 -94.6 112.6 9.2 14.8 30.5 41 43 A E - 0 0 116 -2,-0.7 15,-0.2 15,-0.1 2,-0.1 -0.602 20.4-113.6 -80.6 133.8 9.3 16.9 27.3 42 44 A V - 0 0 61 -2,-0.3 2,-0.5 -8,-0.1 -1,-0.1 -0.383 27.6-161.2 -66.6 139.2 7.3 15.7 24.3 43 45 A K - 0 0 39 -16,-0.3 -12,-0.2 -17,-0.1 -13,-0.2 -0.917 10.5-140.6-129.6 106.4 9.3 14.6 21.3 44 46 A D > - 0 0 73 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 -0.284 18.9-123.5 -64.4 146.3 7.7 14.3 17.9 45 47 A Y H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.866 111.1 58.3 -56.6 -38.8 8.6 11.5 15.5 46 48 A G H 4 S+ 0 0 53 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.876 106.3 46.4 -60.6 -41.0 9.5 14.0 12.9 47 49 A D H 4 S+ 0 0 90 -3,-0.4 3,-0.5 1,-0.2 -2,-0.2 0.950 112.7 47.8 -67.8 -51.3 12.1 15.8 15.0 48 50 A I H < S+ 0 0 5 -4,-1.9 2,-2.3 1,-0.3 -2,-0.2 0.919 105.4 60.1 -55.9 -46.5 13.8 12.6 16.3 49 51 A D < 0 0 91 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 -0.291 360.0 360.0 -79.5 53.7 14.0 11.2 12.7 50 52 A K 0 0 182 -2,-2.3 -1,-0.2 -3,-0.5 -2,-0.1 0.973 360.0 360.0 -79.6 360.0 16.1 14.3 11.8 51 ! 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 52 65 A T 0 0 39 0, 0.0 -3,-0.0 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 156.0 17.6 15.6 18.5 53 66 A A + 0 0 20 1,-0.1 15,-2.9 -4,-0.1 2,-0.6 0.249 360.0 82.4 -99.2 9.7 17.8 11.8 18.6 54 67 A H E +H 67 0B 41 13,-0.2 13,-0.2 -41,-0.0 2,-0.2 -0.928 62.4 164.7-118.5 104.6 18.8 11.9 22.3 55 68 A V E -H 66 0B 2 11,-2.6 11,-3.6 -2,-0.6 2,-0.3 -0.627 25.5-137.4-116.5 174.9 15.7 12.2 24.6 56 69 A E E +H 65 0B 16 9,-0.2 2,-0.3 -15,-0.2 9,-0.2 -0.944 24.4 155.0-133.2 153.6 14.7 11.7 28.2 57 70 A Y E -H 64 0B 0 7,-1.7 7,-2.9 -2,-0.3 2,-0.3 -0.943 21.4-145.6-168.5 153.6 11.8 10.2 30.0 58 71 A E E -H 63 0B 17 -2,-0.3 -21,-0.3 5,-0.2 5,-0.2 -0.967 3.9-156.9-137.1 153.3 11.2 8.7 33.4 59 72 A T - 0 0 2 3,-2.4 132,-0.0 -2,-0.3 -2,-0.0 -0.442 50.0 -88.0-107.8-175.2 9.2 6.0 35.1 60 73 A A S S+ 0 0 98 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.777 128.7 38.9 -68.6 -22.0 8.2 5.8 38.7 61 74 A K S S+ 0 0 97 1,-0.2 2,-0.3 -54,-0.1 -1,-0.2 0.870 119.7 12.1 -95.9 -43.1 11.5 4.1 39.3 62 75 A R - 0 0 0 -55,-0.2 -3,-2.4 -52,-0.0 2,-0.5 -0.886 57.1-121.6-139.8 169.3 14.1 5.7 37.2 63 76 A H E -fH 9 58B 6 -55,-2.5 -53,-2.4 -2,-0.3 2,-0.4 -0.928 36.3-157.1-107.1 128.9 15.2 8.6 35.0 64 77 A Y E -fH 10 57B 0 -7,-2.9 -7,-1.7 -2,-0.5 2,-0.5 -0.872 20.1-162.0-117.0 144.9 16.2 7.6 31.4 65 78 A S E -fH 11 56B 0 -55,-2.0 -53,-2.7 -2,-0.4 2,-0.4 -0.976 25.2-164.8-115.6 128.0 18.4 9.1 28.7 66 79 A H E -fH 12 55B 0 -11,-3.6 -11,-2.6 -2,-0.5 2,-0.5 -0.973 13.8-161.3-126.8 125.5 17.6 7.4 25.4 67 80 A V E -fH 13 54B 30 -55,-2.1 -53,-1.7 -2,-0.4 2,-0.9 -0.897 11.7-149.1-104.9 126.3 19.5 7.5 22.2 68 81 A D E -f 14 0B 3 -15,-2.9 -53,-0.1 -2,-0.5 -45,-0.1 -0.837 16.0-145.1 -97.2 105.4 17.6 6.5 19.0 69 82 A C - 0 0 6 -55,-1.3 -46,-0.1 -2,-0.9 -47,-0.1 -0.546 10.1-152.3 -73.0 121.9 20.1 4.9 16.6 70 83 A P - 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -47,-0.1 0.906 29.6-154.7 -58.3 -35.5 19.4 5.6 13.0 71 84 A G + 0 0 6 1,-0.2 -53,-0.2 4,-0.1 -55,-0.1 0.438 37.9 140.9 77.8 3.9 21.1 2.2 12.5 72 85 A H > - 0 0 39 1,-0.1 3,-1.7 -55,-0.1 -1,-0.2 -0.333 64.2-111.3 -78.0 159.0 22.4 2.6 9.0 73 86 A A G > S+ 0 0 27 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.842 116.7 56.2 -56.9 -38.0 25.8 1.4 7.7 74 87 A D G 3 S+ 0 0 50 633,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.534 104.7 54.2 -74.5 -4.4 27.2 5.0 7.3 75 88 A Y G X> S+ 0 0 88 -3,-1.7 4,-2.2 1,-0.1 3,-0.9 0.253 73.4 116.1-109.1 8.8 26.4 5.7 11.0 76 89 A I H <> S+ 0 0 55 -3,-1.4 4,-2.2 1,-0.3 -1,-0.1 0.855 73.9 50.1 -45.4 -49.2 28.4 2.6 12.2 77 90 A K H 3> S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.836 111.5 50.1 -63.2 -31.2 31.0 4.7 14.1 78 91 A N H <> S+ 0 0 74 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.857 108.1 51.8 -75.0 -35.5 28.2 6.6 15.8 79 92 A M H X S+ 0 0 15 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.904 105.4 58.3 -66.4 -38.6 26.4 3.4 16.8 80 93 A I H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.949 112.7 36.5 -55.6 -52.9 29.6 2.1 18.3 81 94 A T H X S+ 0 0 9 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.853 118.4 51.9 -71.1 -32.6 30.0 5.1 20.7 82 95 A G H >< S+ 0 0 9 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.946 113.5 42.3 -68.2 -47.1 26.2 5.2 21.3 83 96 A A H >< S+ 0 0 4 -4,-3.5 3,-1.8 1,-0.2 -2,-0.2 0.863 106.9 62.9 -67.3 -35.5 25.9 1.5 22.2 84 97 A A H 3< S+ 0 0 47 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.770 104.9 47.7 -60.6 -26.3 29.1 1.7 24.3 85 98 A Q T << S+ 0 0 15 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.3 0.292 90.1 108.6 -98.9 10.5 27.4 4.1 26.6 86 99 A M < - 0 0 7 -3,-1.8 -74,-0.2 1,-0.1 3,-0.1 -0.676 53.1-161.2 -90.9 141.1 24.2 2.1 27.0 87 100 A D S S- 0 0 14 -76,-3.7 2,-0.3 1,-0.4 30,-0.2 0.601 85.5 -9.2 -89.8 -15.6 23.3 0.3 30.2 88 101 A G S S- 0 0 0 -77,-0.9 -75,-0.5 28,-0.2 -1,-0.4 -0.932 70.0-132.2-173.8 153.9 20.9 -1.7 28.2 89 102 A A E - i 0 118B 0 28,-2.5 30,-2.4 -2,-0.3 2,-0.7 -0.919 9.1-138.2-123.1 148.2 19.4 -1.8 24.6 90 103 A I E -gi 14 119B 0 -77,-2.9 -75,-2.5 -2,-0.3 2,-0.7 -0.909 20.0-153.5-103.6 111.4 15.9 -2.1 23.3 91 104 A L E -gi 15 120B 0 28,-2.6 30,-2.5 -2,-0.7 2,-0.5 -0.783 7.9-156.7 -89.4 113.2 15.9 -4.4 20.3 92 105 A V E + i 0 121B 0 -77,-2.8 2,-0.4 -2,-0.7 -75,-0.4 -0.804 15.0 177.0 -94.4 124.8 13.0 -3.5 18.0 93 106 A V E - i 0 122B 1 28,-1.8 30,-2.0 -2,-0.5 2,-0.3 -0.996 28.3-125.8-129.5 126.9 11.9 -6.4 15.7 94 107 A S E >> - i 0 123B 0 -2,-0.4 4,-3.1 4,-0.4 3,-0.9 -0.550 8.1-149.3 -73.8 129.7 8.9 -6.1 13.3 95 108 A A T 34 S+ 0 0 1 28,-2.8 -1,-0.1 -2,-0.3 29,-0.1 0.749 97.9 56.1 -68.9 -23.6 6.3 -8.8 13.8 96 109 A A T 34 S+ 0 0 52 27,-0.3 -1,-0.2 1,-0.1 28,-0.1 0.625 121.4 25.0 -84.1 -13.1 5.4 -8.6 10.1 97 110 A D T <4 S- 0 0 71 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.1 0.681 90.3-151.1-120.4 -30.5 9.0 -9.2 8.9 98 111 A G < - 0 0 2 -4,-3.1 -4,-0.4 2,-0.0 -2,-0.1 -0.269 56.1 -16.1 81.3-175.4 10.8 -11.1 11.6 99 112 A P S S- 0 0 35 0, 0.0 -6,-0.1 0, 0.0 42,-0.0 -0.361 70.4-175.2 -62.7 138.3 14.6 -10.8 12.2 100 113 A M >> - 0 0 21 -2,-0.0 4,-1.4 603,-0.0 3,-1.3 -0.740 43.7 -79.2-126.4 174.5 16.5 -9.2 9.3 101 114 A P H 3> S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.816 127.6 48.9 -45.8 -42.1 20.2 -8.6 8.5 102 115 A Q H 3> S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.768 102.1 62.6 -72.0 -25.0 20.5 -5.5 10.8 103 116 A T H <> S+ 0 0 0 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.942 111.5 39.5 -61.9 -45.1 18.8 -7.2 13.7 104 117 A R H X S+ 0 0 69 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.884 116.0 51.0 -69.6 -42.7 21.8 -9.6 13.6 105 118 A E H X S+ 0 0 51 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.901 111.0 46.7 -64.4 -43.8 24.3 -6.9 12.9 106 119 A H H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.843 110.1 54.9 -68.5 -32.7 23.2 -4.6 15.7 107 120 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 -5,-0.3 -2,-0.2 0.921 109.0 46.5 -66.8 -43.2 23.2 -7.6 18.1 108 121 A L H X S+ 0 0 57 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.929 113.5 48.7 -64.9 -44.8 26.8 -8.5 17.3 109 122 A L H X S+ 0 0 13 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.918 109.1 53.2 -61.2 -43.0 27.9 -4.9 17.7 110 123 A A H <>S+ 0 0 3 -4,-2.4 5,-2.9 1,-0.2 4,-0.2 0.905 111.6 46.7 -58.2 -42.2 26.0 -4.6 21.0 111 124 A R H ><5S+ 0 0 88 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.953 111.4 50.0 -64.8 -50.5 27.9 -7.7 22.2 112 125 A Q H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 114.2 44.0 -61.1 -29.0 31.3 -6.5 21.0 113 126 A V T 3<5S- 0 0 41 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.386 118.9-113.0 -95.8 3.0 30.9 -3.1 22.7 114 127 A G T < 5 - 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