==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-SEP-07 2R94 . COMPND 2 MOLECULE: 2-KETO-3-DEOXY-(6-PHOSPHO-)GLUCONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS TENAX; . AUTHOR A.PAULUHN,E.POHL . 1135 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 885 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.1 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 . 4 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 . 83 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 466 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.1 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 4 0 4 4 0 0 5 0 4 13 8 1 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 20 5 3 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 . 6 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 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 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 21 A M 0 0 89 0, 0.0 191,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.9 0.7 23.2 37.5 2 22 A E E -a 192 0A 34 189,-2.5 191,-2.8 32,-0.0 2,-0.6 -0.599 360.0-149.4 -98.7 149.4 2.9 26.1 37.1 3 23 A I E -a 193 0A 0 29,-0.3 31,-2.5 -2,-0.3 32,-1.5 -0.964 24.6-171.6-107.7 111.6 2.9 29.7 37.9 4 24 A V E -ab 194 35A 1 189,-3.2 191,-1.5 -2,-0.6 32,-0.2 -0.901 11.6-147.5-106.6 128.3 5.0 31.5 35.2 5 25 A A E - b 0 36A 0 30,-2.4 32,-3.1 -2,-0.5 2,-1.4 -0.885 7.8-150.2 -97.1 121.0 5.8 35.2 35.7 6 26 A P E - b 0 37A 1 0, 0.0 32,-0.2 0, 0.0 193,-0.2 -0.766 40.8-143.5 -83.8 94.4 6.0 37.3 32.5 7 27 A V - 0 0 0 -2,-1.4 32,-0.4 30,-1.3 33,-0.4 -0.218 3.0-112.6 -75.2 149.2 8.5 39.4 34.4 8 28 A I - 0 0 0 188,-0.1 2,-0.6 30,-0.1 35,-0.2 -0.473 22.7-123.9 -74.9 154.3 8.8 43.1 34.1 9 29 A T - 0 0 0 33,-0.4 2,-1.0 -2,-0.1 -1,-0.1 -0.883 27.9-143.0 -97.6 120.2 11.9 44.7 32.6 10 30 A T - 0 0 0 -2,-0.6 7,-2.7 7,-0.1 11,-0.3 -0.716 19.1-173.7 -99.4 103.1 13.2 47.1 35.1 11 31 A F E +IJ 16 257B 1 246,-2.3 246,-1.8 -2,-1.0 2,-0.3 -0.600 8.0 176.6 -84.8 149.7 14.7 50.3 33.7 12 32 A R E > S+I 15 0B 111 3,-2.5 3,-1.2 -2,-0.2 8,-0.0 -0.920 75.9 1.9-148.8 127.8 16.4 52.9 35.8 13 33 A G T 3 S- 0 0 72 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.849 128.4 -61.9 62.6 37.3 18.0 55.9 34.1 14 34 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 244,-0.2 -1,-0.3 0.249 121.3 89.2 76.5 -14.6 16.8 54.9 30.6 15 35 A R E < S-I 12 0B 174 -3,-1.2 -3,-2.5 1,-0.1 -1,-0.2 -0.837 88.7 -91.1-114.7 152.8 18.8 51.7 30.8 16 36 A L E -I 11 0B 11 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.311 33.4-151.7 -53.0 139.9 18.1 48.2 32.0 17 37 A D >> - 0 0 39 -7,-2.7 4,-2.1 2,-0.0 3,-1.0 -0.862 5.5-162.6-124.2 97.2 19.0 47.6 35.7 18 38 A P T 34 S+ 0 0 67 0, 0.0 2,-0.2 0, 0.0 38,-0.0 -0.396 82.4 42.0 -70.0 147.1 19.9 44.0 36.4 19 39 A E T 3> S+ 0 0 129 1,-0.2 4,-1.3 -2,-0.1 5,-0.0 -0.033 108.2 57.9 96.8 -45.4 19.6 43.6 40.1 20 40 A L H <> S+ 0 0 23 -3,-1.0 4,-2.1 -2,-0.2 5,-0.2 0.875 117.4 40.8 -61.2 -54.0 16.5 45.6 40.4 21 41 A F H X S+ 0 0 0 -4,-2.1 4,-3.4 -11,-0.3 5,-0.3 0.945 118.4 43.4 -55.2 -58.3 15.6 42.8 38.0 22 42 A A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 112.7 51.3 -61.2 -44.5 17.4 40.0 39.9 23 43 A N H X S+ 0 0 77 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.894 114.3 47.3 -55.3 -38.3 16.2 41.1 43.3 24 44 A H H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.961 112.0 47.4 -70.7 -50.8 12.7 41.1 41.8 25 45 A V H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.876 113.3 49.3 -55.3 -37.7 13.1 37.7 40.1 26 46 A K H X S+ 0 0 107 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.902 110.7 50.7 -75.9 -36.5 14.5 36.2 43.3 27 47 A N H < S+ 0 0 29 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.973 113.8 41.8 -58.5 -53.7 11.7 37.6 45.4 28 48 A I H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.3 3,-1.7 0.889 112.4 52.8 -72.7 -39.6 8.8 36.3 43.2 29 49 A T H ><5S+ 0 0 43 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.852 105.3 56.7 -61.9 -29.9 10.4 32.9 42.6 30 50 A S T 3<5S+ 0 0 90 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.589 106.5 53.6 -73.4 -5.0 10.7 32.6 46.4 31 51 A K T < 5S- 0 0 71 -3,-1.7 175,-0.3 -4,-0.3 -1,-0.2 0.042 135.7 -67.3-121.3 24.2 6.9 33.2 46.6 32 52 A G T < 5S+ 0 0 20 -3,-1.0 2,-0.5 1,-0.4 -29,-0.3 0.266 86.0 134.7 115.2 -11.1 5.5 30.6 44.3 33 53 A V < - 0 0 6 -5,-1.9 -1,-0.4 1,-0.2 -29,-0.2 -0.612 27.0-178.3 -73.2 122.8 6.7 31.6 40.8 34 54 A D + 0 0 58 -31,-2.5 2,-0.3 -2,-0.5 32,-0.2 0.822 63.7 25.6 -84.9 -40.3 8.0 28.4 39.2 35 55 A V E -b 4 0A 0 -32,-1.5 -30,-2.4 30,-0.1 2,-0.5 -0.957 67.4-139.4-131.9 145.6 9.2 29.7 35.8 36 56 A V E -bc 5 67A 0 30,-2.6 32,-3.3 -2,-0.3 2,-0.7 -0.924 10.3-162.2-108.3 126.4 10.3 33.2 34.6 37 57 A F E > -bc 6 68A 2 -32,-3.1 -30,-1.3 -2,-0.5 3,-0.6 -0.934 18.5-160.0-108.8 103.5 9.1 34.3 31.2 38 58 A V E 3 + c 0 69A 0 30,-2.6 32,-2.5 -2,-0.7 -30,-0.1 -0.700 63.7 14.7 -94.2 147.2 11.4 37.1 30.1 39 59 A A T 3 S+ 0 0 1 -32,-0.4 -1,-0.2 -2,-0.3 33,-0.1 0.798 86.6 146.4 66.2 27.5 10.7 39.8 27.4 40 60 A G S < >S- 0 0 0 -3,-0.6 5,-3.3 -33,-0.4 -1,-0.1 -0.099 71.7 -85.1 -71.7-176.8 7.0 39.0 27.4 41 61 A T T > 5S+ 0 0 16 3,-0.2 3,-2.3 1,-0.2 6,-0.1 0.934 135.4 52.1 -57.3 -46.4 4.4 41.7 26.8 42 62 A T T 3 5S+ 0 0 22 1,-0.3 -33,-0.4 2,-0.1 -1,-0.2 0.894 110.2 50.1 -59.8 -32.4 4.5 42.5 30.5 43 63 A G T 3 5S- 0 0 0 -35,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.183 118.0-115.7 -90.9 16.9 8.3 42.8 30.1 44 64 A L T X 5 + 0 0 1 -3,-2.3 3,-2.6 1,-0.1 4,-0.4 0.702 52.9 166.4 62.5 28.6 7.9 45.1 27.0 45 65 A G G > < + 0 0 0 -5,-3.3 3,-2.9 1,-0.3 -4,-0.1 0.848 68.7 52.6 -43.9 -58.3 9.5 42.6 24.7 46 66 A P G 3 S+ 0 0 14 0, 0.0 -1,-0.3 0, 0.0 315,-0.2 0.736 110.0 52.1 -56.2 -17.9 8.4 44.2 21.4 47 67 A A G < S+ 0 0 6 -3,-2.6 2,-0.4 -6,-0.1 -2,-0.2 0.403 92.9 92.3 -94.6 -3.1 10.0 47.4 22.7 48 68 A L S < S- 0 0 8 -3,-2.9 2,-0.1 -4,-0.4 314,-0.1 -0.784 73.3-126.3 -96.9 140.9 13.4 45.9 23.6 49 69 A S > - 0 0 49 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.327 33.4-103.0 -70.2 161.9 16.4 45.8 21.3 50 70 A L H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.882 124.6 50.9 -47.3 -44.1 18.0 42.5 20.6 51 71 A Q H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.868 107.5 52.6 -73.9 -35.1 20.8 43.5 23.0 52 72 A E H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 109.2 49.7 -62.0 -41.9 18.4 44.4 25.7 53 73 A K H X S+ 0 0 9 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.888 108.7 53.4 -65.5 -36.3 16.7 41.0 25.4 54 74 A M H X S+ 0 0 54 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.944 109.3 48.2 -60.2 -47.8 20.2 39.4 25.6 55 75 A E H X S+ 0 0 81 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.879 112.4 49.3 -57.7 -37.0 20.9 41.3 28.9 56 76 A L H X S+ 0 0 1 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.925 108.4 52.9 -70.6 -42.9 17.5 40.2 30.2 57 77 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.943 112.2 45.7 -56.5 -47.0 18.3 36.6 29.2 58 78 A D H X S+ 0 0 56 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.895 115.3 46.4 -62.0 -44.8 21.5 36.8 31.1 59 79 A A H X S+ 0 0 10 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.925 115.3 45.8 -68.1 -40.9 19.9 38.5 34.1 60 80 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 3,-0.3 0.946 112.9 49.1 -65.5 -48.3 16.9 36.0 34.2 61 81 A T H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.787 112.5 47.3 -69.1 -22.6 19.0 32.9 33.8 62 82 A S H < S+ 0 0 95 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.786 117.9 43.0 -88.7 -18.9 21.4 33.9 36.5 63 83 A A H < S+ 0 0 13 -4,-1.4 2,-0.4 -3,-0.3 -2,-0.2 0.694 118.6 37.1 -95.4 -20.1 18.5 34.8 38.9 64 84 A A < - 0 0 13 -4,-2.5 -1,-0.1 -5,-0.1 3,-0.1 -0.983 61.4-141.9-138.1 151.7 16.2 31.8 38.2 65 85 A R S S+ 0 0 243 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.717 93.5 45.4 -75.6 -29.0 16.5 28.1 37.5 66 86 A R S S+ 0 0 76 -32,-0.2 -30,-2.6 -6,-0.1 2,-0.4 -0.958 71.0 167.3-124.8 117.4 13.7 27.9 34.9 67 87 A V E -c 36 0A 2 -2,-0.5 25,-2.1 23,-0.3 26,-1.1 -0.973 20.3-169.4-130.8 131.7 13.5 30.5 32.2 68 88 A I E -cd 37 93A 2 -32,-3.3 -30,-2.6 -2,-0.4 2,-0.5 -0.979 19.0-150.4-114.4 139.1 11.6 30.8 29.0 69 89 A V E -cd 38 94A 0 24,-1.5 26,-2.6 -2,-0.4 2,-0.5 -0.954 5.8-142.6-116.4 130.0 12.8 33.6 26.8 70 90 A Q E + d 0 95A 0 -32,-2.5 26,-0.2 -2,-0.5 24,-0.0 -0.803 23.5 177.4 -91.2 129.6 10.4 35.4 24.5 71 91 A V + 0 0 1 24,-2.7 11,-0.2 -2,-0.5 25,-0.2 0.324 18.8 140.8-122.1 3.6 12.3 36.1 21.3 72 92 A A + 0 0 1 23,-0.3 2,-0.3 -33,-0.1 4,-0.0 -0.159 16.2 161.7 -59.6 147.9 10.0 37.8 18.7 73 93 A S - 0 0 12 24,-0.1 6,-0.2 27,-0.0 261,-0.1 -0.955 48.5-123.8-156.8 148.1 11.4 40.6 16.5 74 94 A L S S+ 0 0 7 -2,-0.3 2,-0.5 259,-0.3 475,-0.3 0.423 108.9 68.3 -79.1 1.0 10.2 42.0 13.3 75 95 A N S >> S- 0 0 21 1,-0.1 3,-1.7 473,-0.1 4,-0.9 -0.940 79.6-159.7-106.9 107.1 13.6 41.2 12.1 76 96 A A H 3> S+ 0 0 4 471,-2.8 4,-2.2 -2,-0.5 5,-0.2 0.719 85.0 64.8 -62.0 -29.2 13.5 37.4 12.1 77 97 A D H 3> S+ 0 0 99 470,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.794 101.2 52.4 -58.6 -33.8 17.3 36.9 12.2 78 98 A E H <> S+ 0 0 64 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.824 106.0 53.0 -71.2 -33.4 17.2 38.6 15.6 79 99 A A H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.963 114.4 42.2 -65.8 -47.4 14.6 36.1 16.8 80 100 A I H X S+ 0 0 30 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.959 114.6 50.9 -59.6 -52.6 16.8 33.2 15.7 81 101 A A H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 114.1 44.1 -50.4 -50.1 19.9 34.9 17.0 82 102 A L H X S+ 0 0 1 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.888 108.3 57.9 -69.6 -35.6 18.2 35.4 20.4 83 103 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.969 110.1 44.4 -55.5 -52.1 16.8 31.9 20.5 84 104 A K H X S+ 0 0 113 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 112.6 51.1 -60.0 -46.1 20.3 30.5 20.2 85 105 A Y H X S+ 0 0 42 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.942 111.6 47.4 -55.7 -49.4 21.6 32.9 22.8 86 106 A A H <>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 3,-0.4 0.883 110.1 52.8 -60.6 -46.0 18.9 32.0 25.3 87 107 A E H ><5S+ 0 0 54 -4,-2.8 3,-1.4 -5,-0.3 -1,-0.2 0.925 108.2 51.1 -56.7 -39.2 19.4 28.3 24.6 88 108 A S H 3<5S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.721 104.8 57.5 -73.6 -18.9 23.1 28.8 25.4 89 109 A R T 3<5S- 0 0 108 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.410 124.4-101.2 -91.3 5.1 22.3 30.6 28.6 90 110 A G T < 5 + 0 0 57 -3,-1.4 -23,-0.3 -4,-0.3 -3,-0.2 0.660 61.4 164.0 93.4 13.0 20.4 27.5 29.9 91 111 A A < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -23,-0.2 -0.392 37.2-140.0 -59.2 143.5 16.8 28.7 29.1 92 112 A E S S- 0 0 51 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.685 77.6 -6.9 -85.2 -14.8 14.5 25.7 29.2 93 113 A A E -d 68 0A 0 -26,-1.1 -24,-1.5 30,-0.2 2,-0.3 -0.961 60.2-133.3-162.8 163.5 12.5 27.0 26.3 94 114 A V E -de 69 125A 0 30,-2.0 32,-2.8 -2,-0.3 2,-0.3 -0.885 22.0-165.2-116.9 154.7 12.1 30.0 23.9 95 115 A A E -de 70 126A 0 -26,-2.6 -24,-2.7 -2,-0.3 2,-0.3 -0.954 2.1-165.3-133.1 160.2 8.7 31.4 23.0 96 116 A S E - e 0 127A 0 30,-1.8 32,-2.6 -2,-0.3 -26,-0.0 -0.973 20.5-131.6-150.3 136.4 7.7 33.8 20.3 97 117 A L - 0 0 0 -2,-0.3 32,-0.2 30,-0.2 -24,-0.1 -0.340 46.2-102.0 -56.5 151.9 4.8 35.9 19.3 98 118 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.449 62.3 -67.0 -65.3 160.0 3.7 35.4 15.8 99 119 A P S S- 0 0 3 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.316 71.8-162.9 -47.2 126.4 5.0 38.2 13.5 100 120 A Y + 0 0 9 -3,-0.1 2,-3.0 1,-0.1 35,-0.1 -0.400 50.3 33.3-110.0-174.5 3.0 41.2 14.7 101 121 A Y S S+ 0 0 11 33,-0.5 321,-0.1 32,-0.3 -1,-0.1 -0.301 89.6 93.9 70.3 -62.8 2.1 44.7 13.5 102 122 A F S > S- 0 0 3 -2,-3.0 3,-0.7 1,-0.1 2,-0.1 -0.408 74.7-132.1 -70.2 118.8 1.8 43.9 9.7 103 123 A P T 3 S+ 0 0 34 0, 0.0 424,-0.3 0, 0.0 423,-0.1 -0.414 76.6 4.2 -70.1 147.6 -1.7 43.0 8.7 104 124 A R T 3 + 0 0 131 31,-0.2 422,-0.6 -2,-0.1 423,-0.2 0.810 69.0 171.3 47.4 45.9 -2.3 39.9 6.5 105 125 A L < - 0 0 15 -3,-0.7 2,-0.2 420,-0.1 420,-0.1 -0.305 44.5 -99.2 -55.0 164.0 1.1 38.3 6.3 106 126 A S > - 0 0 19 418,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.531 18.0-114.9 -92.2 165.4 0.5 35.0 4.7 107 127 A E H > S+ 0 0 161 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 117.8 57.0 -63.3 -38.4 0.2 31.6 6.4 108 128 A R H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 106.1 49.5 -61.1 -38.9 3.4 30.5 4.6 109 129 A Q H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.0 46.7 -69.9 -39.1 5.3 33.5 6.1 110 130 A I H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.912 113.3 50.6 -64.1 -42.1 4.1 32.8 9.7 111 131 A A H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.901 109.0 49.8 -65.5 -42.4 4.9 29.1 9.2 112 132 A K H X S+ 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