==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-11 3QQ1 . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR T.M.ALLISON,G.B.JAMESON,E.J.PARKER . 1000 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.8 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 . 4 0.4 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 . 63 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 2 0 3 2 5 5 1 2 0 1 3 3 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 15 8 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 0 PARALLEL BRIDGES PER LADDER . 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 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 1 A M 0 0 90 0, 0.0 11,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.0 15.6 35.8 52.1 2 2 A D - 0 0 100 9,-0.1 2,-0.4 188,-0.1 9,-0.2 -0.667 360.0-151.9 -95.4 150.8 12.0 35.8 50.9 3 3 A I E -A 10 0A 7 7,-2.5 7,-2.3 -2,-0.3 2,-0.6 -0.990 9.4-141.7-124.2 124.0 10.7 34.5 47.5 4 4 A K E -A 9 0A 124 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.773 17.2-177.5 -81.2 117.5 7.6 35.8 45.8 5 5 A I E > -A 8 0A 6 3,-2.3 3,-2.6 -2,-0.6 2,-0.4 -0.931 68.0 -63.2-114.3 100.1 5.7 33.0 44.1 6 6 A N T 3 S- 0 0 92 -2,-0.6 80,-0.1 1,-0.3 0, 0.0 -0.441 118.9 -18.3 52.2-111.3 2.9 34.9 42.4 7 7 A D T 3 S+ 0 0 156 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.452 118.3 99.6 -97.9 -3.1 1.1 36.5 45.4 8 8 A I E < -A 5 0A 24 -3,-2.6 -3,-2.3 41,-0.0 2,-0.7 -0.667 62.3-146.6 -89.4 134.2 2.5 34.1 48.1 9 9 A T E -A 4 0A 55 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.915 16.1-170.5-101.4 116.4 5.4 35.1 50.3 10 10 A L E +A 3 0A 0 -7,-2.3 -7,-2.5 -2,-0.7 2,-0.3 -0.940 27.7 124.2-108.4 120.3 7.7 32.2 51.1 11 11 A G > - 0 0 1 -2,-0.5 3,-2.6 210,-0.3 -9,-0.1 -0.946 69.4-101.3-173.1 152.0 10.3 32.7 53.8 12 12 A N T 3 S+ 0 0 5 -11,-0.3 4,-0.1 177,-0.3 -10,-0.1 0.599 122.6 39.5 -60.8 -14.0 11.6 31.3 57.1 13 13 A N T 3 S+ 0 0 77 2,-0.1 -1,-0.3 208,-0.0 208,-0.1 0.015 100.3 87.6-121.9 29.3 9.9 34.1 59.0 14 14 A S S < S- 0 0 14 -3,-2.6 -3,-0.1 206,-0.1 3,-0.1 -0.819 97.0 -73.3-114.0 162.7 6.6 34.3 57.0 15 15 A P - 0 0 82 0, 0.0 -4,-0.2 0, 0.0 -6,-0.1 -0.308 67.7 -96.1 -55.7 138.3 3.5 32.3 57.6 16 16 A F - 0 0 4 223,-0.1 2,-0.4 -6,-0.1 206,-0.3 -0.194 33.2-139.0 -65.1 148.0 4.1 28.7 56.4 17 17 A V E -b 222 0B 0 204,-1.5 206,-2.5 30,-0.1 2,-0.4 -0.860 11.5-134.3-108.1 137.3 3.1 27.6 53.0 18 18 A L E -bc 223 49B 0 30,-2.7 32,-2.8 -2,-0.4 2,-0.4 -0.801 15.4-166.4 -94.0 133.9 1.6 24.2 52.3 19 19 A F E +bc 224 50B 0 204,-2.5 206,-2.3 -2,-0.4 2,-0.3 -0.967 32.7 121.8-115.3 134.0 2.9 22.2 49.4 20 20 A G E + c 0 51B 0 30,-2.0 32,-1.3 -2,-0.4 2,-0.2 -0.905 7.8 121.0 174.4 153.1 0.7 19.2 48.4 21 21 A G E - c 0 52B 5 -2,-0.3 2,-0.2 30,-0.3 32,-0.2 -0.791 63.3 -24.6-179.1-128.8 -1.3 17.2 46.0 22 22 A I E - 0 0 32 30,-0.8 32,-0.4 -2,-0.2 3,-0.1 -0.694 47.8-119.7-108.1 161.1 -1.1 13.8 44.5 23 23 A N E S- 0 0 98 -2,-0.2 31,-1.1 1,-0.2 2,-0.3 0.963 93.2 -6.0 -60.4 -55.5 1.8 11.4 44.0 24 24 A V E S- c 0 54B 15 29,-0.2 -1,-0.2 31,-0.1 31,-0.2 -0.999 78.1-100.2-147.6 147.3 1.4 11.3 40.2 25 25 A L + 0 0 0 29,-3.0 43,-1.4 -2,-0.3 44,-0.2 -0.463 41.8 155.5 -74.5 134.6 -1.0 12.5 37.6 26 26 A E - 0 0 102 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.644 62.9 -5.1-121.2 -49.3 -3.6 10.2 36.2 27 27 A S > - 0 0 41 1,-0.1 4,-1.8 46,-0.0 -1,-0.3 -0.997 55.4-119.3-151.7 153.2 -6.4 12.2 34.9 28 28 A L H > S+ 0 0 50 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.865 111.4 54.2 -52.3 -36.4 -7.7 15.7 34.7 29 29 A D H > S+ 0 0 132 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.954 112.1 36.6 -70.3 -54.9 -10.8 14.7 36.6 30 30 A S H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.750 116.0 57.6 -72.2 -23.1 -9.4 13.1 39.8 31 31 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.922 107.1 46.5 -66.6 -47.5 -6.6 15.7 39.7 32 32 A L H X S+ 0 0 40 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.795 110.6 55.0 -64.2 -31.4 -9.1 18.6 39.9 33 33 A Q H X S+ 0 0 144 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.919 110.8 42.9 -68.0 -47.4 -11.0 16.8 42.6 34 34 A T H X S+ 0 0 38 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.929 114.6 50.2 -65.4 -47.1 -7.9 16.4 44.9 35 35 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.929 107.9 53.6 -58.3 -46.6 -6.8 20.0 44.2 36 36 A A H X S+ 0 0 40 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.877 107.4 53.0 -52.4 -42.3 -10.3 21.3 45.0 37 37 A H H X S+ 0 0 91 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.964 110.5 44.8 -60.0 -55.6 -10.0 19.5 48.3 38 38 A Y H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.876 115.1 48.1 -55.0 -44.6 -6.7 21.1 49.3 39 39 A V H X S+ 0 0 11 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.897 110.1 52.9 -66.1 -39.6 -7.9 24.6 48.2 40 40 A E H X S+ 0 0 94 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.940 115.5 40.4 -58.7 -46.3 -11.1 24.1 50.1 41 41 A V H X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.938 118.0 43.7 -72.2 -48.7 -9.2 23.2 53.3 42 42 A T H X>S+ 0 0 5 -4,-2.6 5,-2.7 1,-0.2 4,-1.2 0.832 111.0 56.3 -66.8 -36.2 -6.4 25.7 53.1 43 43 A R H <5S+ 0 0 183 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 0.929 107.9 46.1 -62.3 -48.0 -8.6 28.6 52.1 44 44 A K H <5S+ 0 0 117 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.620 117.7 44.6 -74.8 -12.9 -10.9 28.2 55.2 45 45 A L H <5S- 0 0 39 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.555 111.5-122.2 -99.7 -12.9 -7.9 28.0 57.4 46 46 A G T <5 + 0 0 52 -4,-1.2 -3,-0.2 -3,-0.4 -2,-0.1 0.936 59.7 146.2 70.4 48.5 -6.1 30.9 55.7 47 47 A I < - 0 0 10 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.971 51.6-119.1-116.7 126.5 -3.0 28.9 54.7 48 48 A P - 0 0 43 0, 0.0 -30,-2.7 0, 0.0 2,-0.4 -0.376 36.6-158.5 -64.3 146.5 -1.1 29.7 51.4 49 49 A Y E -c 18 0B 9 -32,-0.2 2,-0.5 -30,-0.0 -30,-0.2 -0.983 22.2-172.7-140.2 127.2 -1.1 26.6 49.1 50 50 A I E -c 19 0B 0 -32,-2.8 -30,-2.0 -2,-0.4 2,-0.4 -0.974 28.3-130.5-115.7 128.3 1.0 25.4 46.2 51 51 A F E -cd 20 88B 0 36,-1.7 38,-2.5 -2,-0.5 2,-0.4 -0.641 23.4-161.3 -86.8 130.1 -0.3 22.2 44.4 52 52 A K E +cd 21 89B 5 -32,-1.3 -30,-0.8 -2,-0.4 2,-0.3 -0.919 21.2 144.0-119.2 131.7 2.2 19.5 43.9 53 53 A A E - 0 0 0 36,-1.6 2,-0.3 -2,-0.4 38,-0.2 -0.963 35.5-131.5-157.9 149.6 2.2 16.5 41.5 54 54 A S E -c 24 0B 11 -31,-1.1 -29,-3.0 -32,-0.4 3,-0.1 -0.723 5.5-166.2 -91.4 149.6 4.5 14.4 39.3 55 55 A F S S+ 0 0 5 36,-0.3 14,-1.8 -2,-0.3 2,-0.3 0.636 79.6 47.8-100.9 -25.7 3.7 13.7 35.7 56 56 A D - 0 0 38 35,-0.2 11,-0.2 12,-0.1 35,-0.1 -0.846 58.0-169.9-112.6 147.9 6.4 11.0 35.5 57 57 A K > + 0 0 23 9,-0.5 3,-0.8 -2,-0.3 -33,-0.0 -0.738 16.2 170.6-134.8 91.9 7.1 8.1 37.9 58 58 A P T 3 + 0 0 17 0, 0.0 566,-2.4 0, 0.0 567,-0.4 0.328 65.8 58.8 -90.3 0.7 10.4 6.7 36.7 59 59 A R T 3 S+ 0 0 60 564,-0.2 3,-0.1 565,-0.1 564,-0.1 0.362 81.7 114.1-105.5 5.1 11.3 4.3 39.4 60 60 A S S < S- 0 0 32 -3,-0.8 564,-0.1 1,-0.1 4,-0.1 -0.166 79.6 -84.3 -71.0 163.4 8.2 2.2 39.0 61 61 A S - 0 0 51 2,-0.1 3,-0.3 1,-0.1 -1,-0.1 -0.232 41.8-111.5 -64.5 156.8 8.2 -1.3 37.9 62 62 A I S S+ 0 0 47 1,-0.3 2,-1.0 -3,-0.1 -1,-0.1 0.876 114.3 51.8 -63.9 -38.4 8.2 -1.7 34.2 63 63 A H S S+ 0 0 152 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.715 95.7 86.9 -96.0 82.6 4.7 -3.0 34.1 64 64 A S S S- 0 0 72 -2,-1.0 2,-0.5 -3,-0.3 3,-0.1 -0.927 89.5 -78.8-164.1 170.1 2.9 -0.3 36.1 65 65 A Y - 0 0 123 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.760 38.8-177.3 -84.1 125.6 1.3 3.0 35.5 66 66 A R - 0 0 41 -2,-0.5 -9,-0.5 1,-0.4 3,-0.2 0.570 47.8-100.4 -98.9 -9.4 4.0 5.5 35.2 67 67 A G - 0 0 17 -11,-0.2 -1,-0.4 1,-0.2 -41,-0.2 -0.541 41.7 -61.8 115.6 172.7 1.8 8.4 34.8 68 68 A V S S- 0 0 26 -43,-1.4 4,-0.3 -2,-0.2 -1,-0.2 0.803 72.0-135.5 -66.2 -33.6 0.3 10.5 32.1 69 69 A G > - 0 0 23 -14,-1.8 4,-2.5 -3,-0.2 -1,-0.1 -0.236 31.1 -57.4 93.7 172.6 3.6 12.0 30.8 70 70 A L H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.859 122.6 46.5 -65.0 -45.8 4.7 15.4 29.9 71 71 A E H > S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.962 122.1 38.7 -64.8 -46.3 2.5 16.7 27.1 72 72 A E H >> S+ 0 0 101 -4,-0.3 4,-1.6 1,-0.2 3,-0.7 0.897 112.6 58.4 -67.3 -39.9 -0.6 15.6 28.9 73 73 A G H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.875 103.0 49.7 -61.2 -40.9 0.7 16.6 32.3 74 74 A L H 3X S+ 0 0 15 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.715 106.8 57.7 -69.7 -22.0 1.3 20.2 31.6 75 75 A K H > S- 0 0 48 1,-0.1 3,-1.3 26,-0.1 4,-0.8 -0.979 75.5-128.9-126.7 134.1 16.0 15.3 32.3 95 95 A P T 34 S+ 0 0 41 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.774 109.3 53.9 -44.4 -37.5 17.7 18.6 31.2 96 96 A H T 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 24,-0.0 0.798 99.1 62.7 -75.1 -27.1 15.4 19.0 28.2 97 97 A Q T <> S+ 0 0 17 -3,-1.3 4,-2.0 1,-0.2 5,-0.2 0.815 87.7 78.3 -61.7 -31.8 12.2 18.7 30.3 98 98 A C H X S+ 0 0 1 -4,-0.8 4,-3.0 -3,-0.4 5,-0.2 0.895 89.6 44.2 -50.1 -66.0 13.1 21.9 32.2 99 99 A Q H > S+ 0 0 88 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.895 115.4 45.6 -53.2 -54.9 12.2 24.7 29.8 100 100 A P H > S+ 0 0 54 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.877 116.1 47.8 -56.6 -38.8 8.7 23.4 28.7 101 101 A V H >X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 3,-1.8 0.928 107.3 55.9 -65.2 -44.6 7.9 22.6 32.3 102 102 A A H 3< S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.2 0.696 95.6 67.6 -61.8 -21.4 9.0 26.0 33.5 103 103 A E H 3< S+ 0 0 140 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.815 119.2 19.2 -63.6 -31.3 6.6 27.5 31.0 104 104 A V H << S+ 0 0 17 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.788 112.8 70.4-112.0 -41.0 3.8 26.2 33.1 105 105 A C < - 0 0 2 -4,-3.3 -16,-0.1 1,-0.1 3,-0.1 -0.675 57.0-155.5 -94.5 139.4 5.0 25.4 36.6 106 106 A D S S+ 0 0 25 -18,-0.8 24,-1.2 -2,-0.3 2,-0.5 0.897 86.3 33.7 -77.2 -42.8 6.0 28.1 39.1 107 107 A V E S-ef 89 130B 0 -19,-2.3 -17,-1.5 22,-0.1 2,-0.4 -0.954 70.5-163.5-115.4 132.2 8.3 25.9 41.1 108 108 A I E -ef 90 131B 0 22,-2.4 24,-2.5 -2,-0.5 2,-0.4 -0.916 15.8-140.7-112.4 145.9 10.4 23.2 39.5 109 109 A Q E -ef 91 132B 4 -19,-2.3 -17,-2.2 -2,-0.4 24,-0.2 -0.890 8.3-148.0-120.7 131.6 11.9 20.5 41.7 110 110 A L E - f 0 133B 0 22,-2.9 24,-1.7 -2,-0.4 -17,-0.1 -0.865 30.5-126.8 -92.8 110.5 15.3 18.7 41.7 111 111 A P > - 0 0 7 0, 0.0 3,-1.1 0, 0.0 4,-0.2 -0.271 23.2-114.4 -55.3 142.5 14.8 15.2 43.0 112 112 A A G > S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.839 112.7 50.4 -48.9 -45.5 17.3 14.4 45.9 113 113 A F G > S+ 0 0 69 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.766 105.2 57.2 -72.7 -20.0 19.2 11.7 44.0 114 114 A L G X S+ 0 0 5 -3,-1.1 3,-1.0 1,-0.2 -1,-0.3 0.355 74.1 100.9 -90.0 6.9 19.8 13.9 40.9 115 115 A A G < S+ 0 0 5 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.721 78.5 58.6 -64.7 -24.3 21.5 16.7 43.0 116 116 A R G < S+ 0 0 49 -3,-0.6 2,-1.0 -4,-0.2 -1,-0.3 0.821 82.1 94.8 -65.8 -39.0 24.7 15.3 41.7 117 117 A Q X> - 0 0 17 -3,-1.0 4,-1.6 1,-0.2 3,-0.6 -0.505 53.7-170.7 -81.2 105.3 23.9 15.8 38.1 118 118 A T H 3> S+ 0 0 4 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.649 79.2 63.0 -62.3 -28.7 25.2 19.1 37.0 119 119 A D H 3> S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.923 106.2 43.9 -68.4 -46.5 23.6 19.1 33.6 120 120 A L H <> S+ 0 0 4 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.900 111.3 55.2 -62.2 -45.7 20.1 19.2 35.1 121 121 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.972 111.0 45.1 -49.0 -57.9 21.2 21.8 37.6 122 122 A V H X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 114.7 47.4 -53.4 -52.2 22.4 24.0 34.8 123 123 A A H X S+ 0 0 20 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.860 112.8 49.4 -60.2 -40.7 19.2 23.4 32.7 124 124 A M H >< S+ 0 0 0 -4,-3.2 3,-1.0 1,-0.2 4,-0.5 0.935 111.2 50.2 -61.9 -47.6 17.0 24.1 35.8 125 125 A A H >< S+ 0 0 3 -4,-2.9 3,-1.0 -5,-0.2 -2,-0.2 0.837 101.7 60.9 -61.3 -37.3 18.9 27.3 36.5 126 126 A K H 3< S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.689 92.6 67.4 -65.9 -19.5 18.6 28.7 33.0 127 127 A T T << S- 0 0 19 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.784 96.8-137.1 -69.9 -30.5 14.8 28.7 33.1 128 128 A G < + 0 0 39 -3,-1.0 -3,-0.1 -4,-0.5 -2,-0.1 0.371 57.7 132.6 86.9 -2.6 14.8 31.5 35.8 129 129 A N - 0 0 32 -5,-0.4 2,-0.3 1,-0.1 -1,-0.3 -0.226 69.0 -86.0 -76.9 167.2 12.1 29.7 37.8 130 130 A V E -f 107 0B 12 -24,-1.2 -22,-2.4 -3,-0.1 2,-0.4 -0.603 48.0-149.0 -72.1 129.6 12.0 29.0 41.5 131 131 A V E -fg 108 159B 0 27,-2.3 29,-3.2 -2,-0.3 2,-0.7 -0.869 9.8-152.8-108.5 132.1 13.9 25.8 42.3 132 132 A N E -fg 109 160B 0 -24,-2.5 -22,-2.9 -2,-0.4 2,-0.7 -0.924 12.7-161.1-101.6 117.6 13.2 23.3 45.1 133 133 A I E -fg 110 161B 0 27,-2.9 29,-3.3 -2,-0.7 2,-0.2 -0.878 5.8-151.7 -99.7 107.1 16.3 21.4 46.0 134 134 A K E - g 0 162B 16 -24,-1.7 29,-0.2 -2,-0.7 -19,-0.1 -0.567 23.1-119.3 -69.7 139.5 15.6 18.2 47.9 135 135 A K - 0 0 0 27,-3.2 29,-0.3 -2,-0.2 -23,-0.1 -0.744 28.0-117.6 -82.1 121.2 18.5 17.3 50.3 136 136 A P > - 0 0 7 0, 0.0 3,-1.2 0, 0.0 29,-0.1 -0.278 23.4-121.8 -54.8 145.4 20.0 13.9 49.4 137 137 A Q T 3 S+ 0 0 30 1,-0.3 30,-3.1 29,-0.1 -2,-0.0 0.536 108.4 48.0 -76.7 -6.8 19.5 11.5 52.3 138 138 A F T 3 S+ 0 0 50 28,-0.2 539,-1.0 2,-0.1 540,-0.3 0.460 92.8 98.4-105.9 -5.1 23.2 10.8 52.7 139 139 A L S < S- 0 0 30 -3,-1.2 5,-0.0 537,-0.1 28,-0.0 -0.601 73.6-121.9 -89.9 143.0 24.3 14.4 52.7 140 140 A S > - 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