==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ELECTRON TRANSPORT/DNA 24-AUG-04 1X9S . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.DUTTA,Y.LI,D.JOHNSON,L.DZANTIEV,C.C.RICHARDSON,L.J.ROMANO, . 778 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 1 3 2 3 1 1 1 1 1 2 0 1 0 0 1 0 1 2 1 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 0 0 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 PARALLEL BRIDGES PER LADDER . 7 2 2 1 3 3 1 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 . 5 0 0 2 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 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 17 0, 0.0 25,-2.1 0, 0.0 26,-0.5 0.000 360.0 360.0 360.0 147.1 77.9 5.5 7.5 2 2 A I E -Ab 25 56A 4 53,-1.6 55,-3.5 23,-0.2 2,-0.4 -0.994 360.0-144.1-141.1 143.8 80.0 8.7 7.9 3 3 A V E +Ab 24 57A 0 21,-2.2 21,-2.8 -2,-0.3 2,-0.3 -0.917 32.5 171.0-106.9 134.3 79.2 12.1 9.3 4 4 A S E +A 23 0A 0 53,-3.8 55,-0.3 -2,-0.4 2,-0.3 -0.907 19.0 175.3-142.6 169.6 80.8 15.1 7.5 5 5 A D E -A 22 0A 16 17,-1.4 17,-2.0 -2,-0.3 2,-0.3 -0.915 12.8-151.3-170.9 145.2 81.0 18.8 7.1 6 6 A I E -A 21 0A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.843 9.3-143.5-126.8 164.2 83.1 21.4 5.3 7 7 A E E +A 20 0A 15 13,-3.3 13,-2.2 -2,-0.3 12,-1.6 -0.991 28.6 167.8-123.4 126.0 84.3 25.0 5.5 8 8 A A E -A 18 0A 5 -2,-0.4 10,-0.2 10,-0.3 148,-0.1 -0.786 46.0-101.1-130.6 176.8 84.5 27.1 2.4 9 9 A N S S- 0 0 30 8,-2.2 2,-0.3 -2,-0.2 145,-0.1 0.361 89.7 -7.7 -84.0 5.3 84.9 30.8 1.5 10 10 A A S S- 0 0 28 7,-0.2 -2,-0.1 145,-0.0 2,-0.1 -0.981 85.0 -56.1-175.5-176.9 81.3 31.7 0.8 11 11 A L >> - 0 0 97 -2,-0.3 3,-1.7 1,-0.1 4,-1.4 -0.471 62.3 -98.1 -77.7 154.7 77.7 30.8 0.2 12 12 A L G >4 S+ 0 0 16 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.864 119.7 64.3 -36.5 -56.9 76.9 28.3 -2.5 13 13 A E G 34 S+ 0 0 126 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.788 123.5 11.6 -40.2 -43.6 76.0 31.1 -5.0 14 14 A S G <4 S+ 0 0 79 -3,-1.7 -1,-0.2 0, 0.0 -2,-0.2 0.286 87.4 137.1-127.8 15.2 79.5 32.5 -5.0 15 15 A V << + 0 0 0 -4,-1.4 3,-0.1 -3,-0.9 -4,-0.0 -0.331 10.3 157.1 -65.7 141.2 81.8 30.0 -3.3 16 16 A T + 0 0 75 1,-0.2 2,-0.4 -2,-0.0 -1,-0.1 0.404 54.0 63.6-141.1 -9.4 85.2 29.3 -5.0 17 17 A K - 0 0 112 58,-0.0 -8,-2.2 59,-0.0 2,-0.8 -0.976 59.9-151.4-132.8 126.1 87.5 28.0 -2.3 18 18 A F E -A 8 0A 4 -2,-0.4 -10,-0.3 -10,-0.2 21,-0.1 -0.830 17.3-179.4 -89.9 107.1 87.2 24.8 -0.2 19 19 A H E - 0 0 4 -12,-1.6 2,-0.3 -2,-0.8 -11,-0.2 0.954 54.1 -42.5 -74.9 -52.9 88.9 25.7 3.1 20 20 A C E -A 7 0A 0 -13,-2.2 -13,-3.3 15,-0.2 2,-0.3 -0.994 46.4-151.9-169.6 169.8 88.6 22.3 4.9 21 21 A G E -AC 6 34A 0 13,-2.3 13,-2.8 -2,-0.3 2,-0.3 -0.969 5.0-150.7-149.8 164.1 86.5 19.3 5.8 22 22 A V E -AC 5 33A 0 -17,-2.0 -17,-1.4 -2,-0.3 2,-0.4 -0.997 7.7-167.6-140.1 141.1 86.0 16.7 8.5 23 23 A I E -AC 4 32A 10 9,-1.9 9,-2.3 -2,-0.3 2,-0.5 -0.995 7.8-163.1-132.8 135.3 84.8 13.1 8.4 24 24 A Y E -AC 3 31A 24 -21,-2.8 -21,-2.2 -2,-0.4 2,-0.6 -0.980 14.8-156.9-113.2 124.2 83.7 10.8 11.2 25 25 A D E >>> -AC 2 30A 33 5,-1.9 4,-1.6 -2,-0.5 3,-1.4 -0.914 9.4-160.4-107.3 116.3 83.6 7.2 10.0 26 26 A Y T 345S+ 0 0 39 -25,-2.1 -1,-0.1 -2,-0.6 -24,-0.1 0.849 90.9 63.1 -60.2 -36.0 81.4 4.9 12.1 27 27 A S T 345S+ 0 0 92 -26,-0.5 -1,-0.3 1,-0.2 -25,-0.1 0.662 122.2 20.6 -65.3 -15.5 83.2 1.8 10.7 28 28 A T T <45S- 0 0 71 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.389 94.8-132.2-131.3 -3.6 86.4 3.0 12.4 29 29 A A T <5 + 0 0 62 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.729 63.2 127.8 55.5 27.2 85.2 5.5 15.1 30 30 A E E < -C 25 0A 129 -5,-0.9 -5,-1.9 2,-0.0 2,-0.6 -0.821 56.1-137.2-120.0 157.2 87.7 8.1 14.0 31 31 A Y E -C 24 0A 90 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.933 20.3-170.0-108.8 116.8 87.8 11.8 12.9 32 32 A V E -C 23 0A 67 -9,-2.3 -9,-1.9 -2,-0.6 2,-0.3 -0.908 10.0-148.4-108.3 132.1 90.0 12.7 10.0 33 33 A S E -C 22 0A 41 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.779 5.8-160.7-101.6 144.5 90.7 16.3 9.1 34 34 A Y E -C 21 0A 32 -13,-2.8 -13,-2.3 -2,-0.3 -2,-0.0 -0.956 7.6-165.4-127.5 113.6 91.3 17.6 5.6 35 35 A R > - 0 0 92 -2,-0.5 3,-3.6 -15,-0.2 4,-0.2 -0.372 48.5 -70.8 -88.6 172.1 93.0 21.0 5.1 36 36 A P G > S+ 0 0 54 0, 0.0 3,-1.1 0, 0.0 -18,-0.1 0.748 133.2 45.3 -27.7 -55.3 93.0 23.1 1.9 37 37 A S G 3 S+ 0 0 113 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.326 101.3 68.3 -81.4 10.3 95.4 20.7 0.0 38 38 A D G <> + 0 0 57 -3,-3.6 4,-2.8 1,-0.1 -1,-0.2 0.234 66.1 107.9-107.6 9.7 93.5 17.6 1.1 39 39 A F H <> S+ 0 0 4 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.900 77.0 50.4 -56.0 -44.8 90.4 18.5 -1.0 40 40 A G H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 113.9 46.1 -61.8 -37.3 91.1 15.8 -3.6 41 41 A A H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.854 108.2 56.0 -71.7 -38.1 91.4 13.3 -0.8 42 42 A Y H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.958 110.4 45.7 -58.4 -50.0 88.3 14.6 1.0 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.875 110.0 53.6 -61.6 -38.1 86.4 14.0 -2.2 44 44 A D H X S+ 0 0 85 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.935 106.1 54.8 -63.2 -41.6 88.0 10.5 -2.6 45 45 A A H X S+ 0 0 24 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.852 108.8 46.8 -59.2 -38.4 86.8 9.7 0.9 46 46 A L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.916 112.2 48.4 -72.4 -43.0 83.2 10.5 0.1 47 47 A E H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.834 106.8 59.7 -65.8 -27.6 83.1 8.6 -3.2 48 48 A A H X S+ 0 0 37 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.941 104.1 48.4 -64.3 -44.8 84.7 5.7 -1.2 49 49 A E H <>S+ 0 0 6 -4,-1.5 5,-2.3 1,-0.2 -1,-0.2 0.747 112.3 51.3 -66.3 -21.9 81.7 5.6 1.1 50 50 A V H ><5S+ 0 0 33 -4,-1.1 3,-1.8 3,-0.2 -2,-0.2 0.854 103.1 56.6 -82.5 -37.6 79.5 5.7 -2.0 51 51 A A H 3<5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.844 105.6 52.7 -63.2 -30.9 81.2 2.8 -3.7 52 52 A R T 3<5S- 0 0 149 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.244 121.0-106.9 -90.7 17.2 80.5 0.7 -0.7 53 53 A G T < 5S+ 0 0 23 -3,-1.8 144,-2.2 143,-0.1 145,-0.3 0.824 73.8 148.2 64.3 31.6 76.8 1.5 -0.8 54 54 A G < - 0 0 4 -5,-2.3 2,-0.3 142,-0.2 143,-0.2 0.135 44.2-113.4 -83.7-160.9 77.2 3.7 2.3 55 55 A L - 0 0 0 141,-0.1 -53,-1.6 138,-0.1 2,-0.5 -0.987 13.2-151.6-139.7 144.7 75.6 6.8 3.6 56 56 A I E -bd 2 88A 0 31,-2.6 33,-2.9 -2,-0.3 2,-0.5 -0.980 11.0-153.4-123.3 123.6 77.0 10.3 4.2 57 57 A V E +bd 3 89A 0 -55,-3.5 -53,-3.8 -2,-0.5 2,-0.3 -0.837 21.7 161.5-101.4 130.0 75.6 12.6 6.9 58 58 A F E - d 0 90A 0 31,-2.3 33,-2.4 -2,-0.5 2,-0.7 -0.906 38.8-124.0-135.0 161.2 75.7 16.4 6.6 59 59 A H S S- 0 0 9 -55,-0.3 6,-0.2 -2,-0.3 31,-0.1 -0.959 101.9 -9.8-110.7 114.0 73.7 19.0 8.4 60 60 A N S >>S+ 0 0 25 -2,-0.7 4,-1.5 4,-0.1 5,-0.6 0.814 96.0 138.7 67.2 29.6 72.0 21.1 5.7 61 61 A G T 4> + 0 0 0 3,-0.2 5,-2.5 1,-0.2 7,-0.2 0.793 58.5 64.8 -75.1 -29.1 74.2 19.2 3.2 62 62 A H T 45S+ 0 0 4 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.845 113.8 31.3 -62.1 -35.0 71.3 18.9 0.7 63 63 A K T 45S+ 0 0 39 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.717 139.2 8.3 -94.6 -28.8 71.2 22.7 0.2 64 64 A Y T X5S+ 0 0 42 -4,-1.5 4,-2.9 3,-0.1 5,-0.2 0.720 119.5 44.6-117.5 -74.7 74.9 23.6 0.7 65 65 A D H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 117.5 53.9 -66.0 -31.9 76.0 21.2 -4.4 68 68 A A H X S+ 0 0 0 -4,-2.9 4,-3.5 -7,-0.2 5,-0.3 0.941 106.3 49.2 -64.0 -49.8 79.0 23.1 -3.1 69 69 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.903 109.4 53.6 -58.2 -41.3 81.4 20.2 -3.4 70 70 A T H X S+ 0 0 39 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.973 114.9 40.5 -55.7 -55.5 80.1 19.7 -7.0 71 71 A K H X S+ 0 0 66 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.938 116.8 47.1 -58.4 -53.8 80.9 23.3 -7.8 72 72 A L H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 5,-0.4 0.802 108.9 56.5 -61.4 -29.8 84.2 23.5 -5.9 73 73 A A H X S+ 0 0 0 -4,-2.5 6,-2.0 -5,-0.3 4,-1.4 0.903 109.5 45.0 -69.6 -38.7 85.4 20.2 -7.4 74 74 A K H < S+ 0 0 104 -4,-1.7 4,-0.3 4,-0.3 -2,-0.2 0.843 118.1 44.1 -72.7 -34.3 84.9 21.5 -11.0 75 75 A L H < S+ 0 0 108 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.872 124.0 28.1 -79.7 -40.7 86.6 24.9 -10.2 76 76 A Q H < S+ 0 0 68 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.718 137.0 20.8 -97.1 -22.9 89.6 23.8 -8.2 77 77 A L S < S- 0 0 77 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.290 92.4-125.0-127.5 7.6 90.4 20.3 -9.4 78 78 A N + 0 0 123 -4,-0.3 2,-0.4 1,-0.2 -4,-0.3 0.923 66.3 142.0 44.3 49.9 88.7 20.3 -12.8 79 79 A R - 0 0 57 -6,-2.0 2,-0.5 -9,-0.1 -1,-0.2 -0.950 54.8-130.3-124.5 142.9 86.9 17.2 -11.5 80 80 A E + 0 0 118 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.1 -0.790 34.6 170.7 -90.1 130.7 83.3 16.1 -12.0 81 81 A F + 0 0 2 -2,-0.5 2,-0.3 -11,-0.2 -8,-0.1 -0.973 9.2 166.9-146.7 124.9 81.7 15.1 -8.6 82 82 A H - 0 0 110 -2,-0.4 -16,-0.0 -12,-0.0 3,-0.0 -0.730 22.8-150.7-147.1 92.0 78.1 14.3 -7.9 83 83 A L - 0 0 7 -2,-0.3 2,-0.2 -17,-0.2 5,-0.1 -0.392 32.2-115.9 -59.0 128.3 77.0 12.6 -4.7 84 84 A P > - 0 0 40 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.479 13.2-127.6 -73.7 140.9 74.0 10.6 -5.4 85 85 A R G > S+ 0 0 47 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.892 107.5 58.0 -48.3 -48.4 70.8 11.6 -3.7 86 86 A E G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.700 102.7 55.3 -60.7 -19.4 70.1 8.2 -2.3 87 87 A N G < S+ 0 0 6 -3,-1.7 -31,-2.6 -32,-0.1 2,-0.4 0.506 94.3 86.2 -92.3 -3.6 73.5 8.1 -0.5 88 88 A C E < -d 56 0A 0 -3,-1.8 2,-0.4 -4,-0.4 -31,-0.2 -0.839 50.1-171.6-110.5 137.7 72.9 11.4 1.5 89 89 A I E -d 57 0A 0 -33,-2.9 -31,-2.3 -2,-0.4 2,-0.5 -0.947 8.7-158.4-119.8 138.1 71.3 12.1 4.8 90 90 A D E > -d 58 0A 2 -2,-0.4 4,-2.0 -33,-0.2 -31,-0.2 -0.947 7.8-161.5-120.8 111.2 70.6 15.6 6.1 91 91 A T H > S+ 0 0 0 -33,-2.4 4,-1.9 -2,-0.5 -32,-0.2 0.714 94.3 57.4 -64.5 -18.8 70.2 16.1 9.8 92 92 A L H > S+ 0 0 13 -34,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.909 106.6 47.9 -74.9 -41.9 68.5 19.4 9.2 93 93 A V H > S+ 0 0 17 1,-0.2 4,-0.8 -3,-0.2 -2,-0.2 0.890 112.8 51.7 -61.8 -38.5 65.9 17.7 7.0 94 94 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.870 107.8 48.9 -66.3 -41.9 65.5 15.2 9.8 95 95 A S H X S+ 0 0 14 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.881 106.9 56.0 -67.3 -38.2 65.0 17.7 12.6 96 96 A R H < S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.760 113.3 42.1 -66.9 -22.5 62.4 19.6 10.7 97 97 A L H >< S+ 0 0 2 -4,-0.8 3,-0.6 -3,-0.3 -2,-0.2 0.869 122.5 36.9 -88.2 -44.5 60.4 16.4 10.3 98 98 A I H 3< S+ 0 0 17 -4,-2.5 2,-0.4 1,-0.2 3,-0.2 0.928 126.9 34.5 -76.0 -46.5 60.9 15.1 13.8 99 99 A H T >< S+ 0 0 48 -4,-3.1 3,-1.6 -5,-0.2 -1,-0.2 -0.427 75.7 145.5-103.9 55.5 60.7 18.4 15.8 100 100 A S T < + 0 0 19 -3,-0.6 -1,-0.2 -2,-0.4 309,-0.1 0.657 61.7 67.5 -66.6 -18.6 58.1 19.9 13.3 101 101 A N T 3 S+ 0 0 83 -3,-0.2 2,-0.3 306,-0.1 -1,-0.3 0.381 97.5 69.9 -83.3 4.2 56.4 21.7 16.2 102 102 A L S < S- 0 0 57 -3,-1.6 2,-0.1 -6,-0.1 17,-0.1 -0.811 71.5-138.4-120.8 161.8 59.5 23.9 16.5 103 103 A K - 0 0 95 15,-0.6 17,-0.4 13,-0.4 2,-0.3 -0.385 14.1-159.9-104.1-173.9 61.2 26.5 14.4 104 104 A D - 0 0 44 -2,-0.1 20,-0.0 15,-0.1 15,-0.0 -0.957 33.8-104.7-161.3 163.6 64.9 27.1 13.6 105 105 A T >>> - 0 0 6 -2,-0.3 5,-2.5 18,-0.1 4,-1.0 0.207 52.9-113.8 -82.0 16.3 67.1 30.0 12.4 106 106 A D G >45S- 0 0 20 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.942 78.5 -51.5 47.2 52.6 67.4 28.6 8.9 107 107 A M G 345S- 0 0 61 1,-0.2 -1,-0.3 2,-0.1 23,-0.1 0.740 116.3 -39.0 57.2 30.2 71.1 28.1 9.6 108 108 A G G <45S+ 0 0 42 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.372 112.2 109.6 106.4 -4.7 71.6 31.6 10.8 109 109 A L T <<5S+ 0 0 104 -3,-1.1 2,-0.4 -4,-1.0 -3,-0.2 0.786 78.2 51.1 -73.7 -26.9 69.4 33.5 8.3 110 110 A L S - 0 0 94 -2,-0.4 4,-0.9 1,-0.2 3,-0.2 -0.572 17.1-141.4 -74.3 129.2 67.6 35.8 14.4 112 112 A S T >4 S+ 0 0 27 -2,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.928 100.7 60.7 -54.0 -47.2 67.0 33.4 17.3 113 113 A G T 34 S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.891 102.1 49.5 -47.2 -50.7 65.5 36.2 19.3 114 114 A K T 34 S+ 0 0 92 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.2 0.693 93.2 95.5 -66.5 -19.3 62.7 36.9 16.8 115 115 A L S << S- 0 0 27 -3,-1.3 2,-0.1 -4,-0.9 -10,-0.1 -0.496 71.8-132.9 -77.0 139.1 61.8 33.2 16.7 116 116 A P + 0 0 82 0, 0.0 -13,-0.4 0, 0.0 -1,-0.1 -0.444 62.7 14.2 -85.5 165.2 59.0 31.9 19.0 117 117 A G S S- 0 0 69 -2,-0.1 -15,-0.1 -15,-0.1 -2,-0.0 0.209 97.7 -45.7 63.7 175.1 59.2 28.8 21.1 118 124 A A - 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0 0 115 -5,-1.2 -1,-0.2 0, 0.0 2,-0.2 -0.942 59.2-110.9-126.3 146.8 93.6 45.5 13.5 147 153 A E - 0 0 86 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.490 30.8-129.1 -74.1 142.8 90.4 46.7 12.0 148 154 A Y - 0 0 47 -2,-0.2 2,-0.3 -10,-0.0 -1,-0.1 -0.758 23.0-153.3 -92.5 140.8 87.7 44.1 11.3 149 155 A V > - 0 0 72 -2,-0.4 3,-1.9 1,-0.0 4,-0.3 -0.901 34.7 -79.2-119.7 147.0 86.2 43.9 7.8 150 156 A D T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.466 109.3 -21.7 4.0 -95.3 82.8 42.7 6.5 151 157 A G T > S+ 0 0 25 1,-0.1 3,-1.4 2,-0.0 -1,-0.3 -0.290 83.0 139.2-131.6 51.0 83.3 39.0 6.5 152 158 A M G X> + 0 0 41 -3,-1.9 3,-1.1 1,-0.3 4,-0.6 0.590 56.8 84.6 -69.5 -11.9 87.0 38.4 6.3 153 159 A E G 34 S+ 0 0 10 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.762 95.1 44.3 -63.0 -21.4 86.7 35.5 8.8 154 160 A W G <4 S+ 0 0 31 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.432 90.0 84.8-103.3 0.2 85.9 33.3 5.7 155 161 A W T <4 S+ 0 0 135 -3,-1.1 2,-0.3 -4,-0.1 -2,-0.1 0.877 95.2 26.4 -71.6 -39.1 88.5 34.5 3.2 156 162 A N S < S- 0 0 114 -4,-0.6 2,-0.2 -3,-0.1 -1,-0.1 -0.922 82.7-107.6-128.2 153.2 91.4 32.3 4.3 157 163 A F + 0 0 51 -2,-0.3 2,-0.3 -139,-0.1 -3,-0.1 -0.497 44.9 162.9 -74.1 144.3 91.8 28.9 6.0 158 164 A N > - 0 0 43 -2,-0.2 4,-1.2 1,-0.0 3,-0.3 -0.927 50.4-102.8-151.9 169.4 93.0 29.1 9.6 159 165 A E H > S+ 0 0 93 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.720 116.0 62.1 -73.8 -22.0 93.0 26.7 12.6 160 166 A E H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.846 106.4 48.7 -69.6 -31.0 90.1 28.4 14.4 161 167 A M H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.868 109.3 51.3 -72.6 -39.7 88.0 27.5 11.3 162 168 A M H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.856 108.8 51.8 -66.5 -37.1 89.3 23.9 11.4 163 169 A D H X S+ 0 0 107 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.922 110.6 46.9 -66.8 -43.3 88.4 23.6 15.1 164 170 A Y H X S+ 0 0 35 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 109.4 56.5 -63.2 -40.0 84.9 24.8 14.4 165 171 A N H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.945 108.9 44.2 -57.5 -51.6 84.8 22.4 11.5 166 172 A V H X S+ 0 0 40 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.909 109.4 58.3 -59.8 -41.0 85.5 19.4 13.7 167 173 A Q H X S+ 0 0 90 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.901 101.4 56.7 -54.0 -44.2 83.1 20.7 16.3 168 174 A D H X S+ 0 0 18 -4,-2.2 4,-3.8 1,-0.2 5,-0.3 0.907 106.5 46.1 -56.9 -48.1 80.3 20.6 13.6 169 175 A V H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.866 111.9 55.0 -64.7 -33.1 80.7 16.9 12.9 170 176 A V H X S+ 0 0 59 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.986 116.3 34.7 -61.8 -57.6 80.8 16.4 16.7 171 177 A V H X S+ 0 0 9 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.928 117.8 53.3 -62.9 -46.0 77.5 18.1 17.2 172 178 A T H X S+ 0 0 1 -4,-3.8 4,-2.9 -5,-0.3 -1,-0.2 0.918 109.1 50.2 -55.8 -44.0 76.1 16.8 13.9 173 179 A K H X S+ 0 0 34 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.874 113.1 46.1 -62.4 -37.2 76.9 13.3 15.0 174 180 A A H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.934 113.7 48.0 -70.3 -46.5 75.2 13.8 18.4 175 181 A L H X S+ 0 0 0 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.926 109.4 54.8 -58.5 -45.6 72.2 15.4 16.7 176 182 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.902 111.3 43.4 -54.6 -47.6 72.0 12.6 14.2 177 183 A E H X S+ 0 0 74 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.833 109.2 56.5 -70.3 -33.9 71.9 10.0 17.0 178 184 A K H >< S+ 0 0 86 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.940 110.8 46.4 -61.4 -44.3 69.4 11.9 19.0 179 185 A L H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.871 108.0 54.9 -66.2 -37.8 67.2 11.8 16.0 180 186 A L H 3< S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.673 94.3 70.4 -72.0 -13.9 67.7 8.1 15.4 181 187 A S T << S+ 0 0 93 -4,-1.0 2,-1.0 -3,-0.6 -1,-0.3 0.495 71.7 102.7 -80.4 -2.0 66.6 7.3 18.9 182 188 A D X> - 0 0 43 -3,-1.4 4,-2.3 1,-0.2 3,-1.2 -0.721 58.0-164.3 -84.3 102.4 63.0 8.3 18.0 183 189 A K T 34 S+ 0 0 56 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.0 0.700 80.5 70.5 -62.0 -21.3 61.3 4.9 17.6 184 190 A H T 34 S+ 0 0 53 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.876 115.8 23.0 -63.4 -37.0 58.3 6.3 15.8 185 191 A Y T <4 S+ 0 0 3 -3,-1.2 20,-2.7 1,-0.3 -2,-0.2 0.744 131.0 39.4-100.1 -30.4 60.5 7.0 12.7 186 192 A F S < S- 0 0 2 -4,-2.3 -1,-0.3 18,-0.2 18,-0.1 -0.950 86.5-123.5-127.7 112.8 63.4 4.5 13.2 187 193 A P > - 0 0 41 0, 0.0 3,-1.1 0, 0.0 5,-0.1 -0.196 12.5-136.6 -52.0 134.4 62.6 1.0 14.5 188 194 A P T 3 S+ 0 0 95 0, 0.0 -4,-0.0 0, 0.0 -5,-0.0 0.838 100.2 71.9 -63.6 -29.8 64.5 0.1 17.7 189 195 A E T 3 S+ 0 0 165 2,-0.0 2,-0.3 1,-0.0 -3,-0.0 0.822 94.6 65.3 -52.8 -33.8 65.2 -3.3 16.2 190 196 A I S < S- 0 0 40 -3,-1.1 2,-1.0 13,-0.1 5,-0.1 -0.754 71.3-143.2-104.7 141.0 67.6 -1.7 13.7 191 197 A D > - 0 0 90 -2,-0.3 3,-1.5 3,-0.1 -2,-0.0 -0.839 17.3-169.4 -95.7 101.0 70.9 0.1 14.2 192 198 A F T 3 S+ 0 0 6 -2,-1.0 3,-0.4 1,-0.3 -1,-0.1 0.496 80.1 65.0 -73.8 -1.1 70.7 2.8 11.5 193 199 A T T 3 S+ 0 0 23 1,-0.2 -1,-0.3 -192,-0.0 -138,-0.1 0.246 105.3 48.6 -99.7 12.5 74.4 3.8 11.9 194 200 A D S < S+ 0 0 124 -3,-1.5 2,-0.3 2,-0.1 -1,-0.2 -0.127 91.9 90.1-142.9 41.4 75.3 0.3 10.6 195 201 A V S S- 0 0 30 -3,-0.4 2,-0.1 -5,-0.1 -140,-0.0 -0.941 73.7-103.1-136.2 158.6 73.2 -0.3 7.5 196 202 A G >> - 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0 0 85 1,-0.1 0, 0.0 -3,-0.0 0, 0.0 -0.621 360.0-110.4 -80.2 134.8 71.9 94.3 25.9 296 315 A L - 0 0 77 -2,-0.3 2,-0.9 -4,-0.2 -4,-0.2 -0.298 28.2-117.8 -61.5 149.0 68.7 92.5 25.0 297 316 A D - 0 0 54 -6,-1.7 -1,-0.1 1,-0.2 -7,-0.0 -0.812 22.1-166.6 -93.8 103.6 69.0 88.7 25.0 298 317 A T + 0 0 135 -2,-0.9 465,-0.2 464,-0.1 -1,-0.2 0.813 58.9 104.5 -58.3 -32.2 68.2 87.5 21.4 299 318 A R S S- 0 0 57 1,-0.1 464,-0.1 -10,-0.1 -2,-0.1 -0.061 73.2-134.3 -47.2 153.4 67.9 83.9 22.7 300 319 A E S S+ 0 0 79 464,-0.1 465,-3.6 462,-0.0 2,-0.4 0.431 72.3 84.3 -98.0 2.9 64.3 82.7 22.9 301 320 A Y B -k 765 0H 63 463,-0.2 2,-0.5 -11,-0.1 465,-0.1 -0.836 54.2-159.8-112.1 147.1 64.2 81.0 26.3 302 321 A V > - 0 0 10 463,-0.5 3,-2.8 -2,-0.4 -13,-0.2 -0.970 34.4-110.4-123.0 111.8 63.7 82.5 29.8 303 322 A A T 3 S+ 0 0 43 -2,-0.5 -16,-0.2 1,-0.3 -14,-0.1 0.031 102.6 16.7 -39.3 140.0 65.0 80.4 32.7 304 323 A G T 3 S+ 0 0 55 -18,-2.2 -1,-0.3 1,-0.2 -17,-0.1 0.250 95.9 117.0 77.8 -17.0 62.2 79.0 34.8 305 324 A A < - 0 0 1 -3,-2.8 -3,-0.3 -19,-0.2 -1,-0.2 -0.760 57.4-149.5 -89.9 103.8 59.7 79.7 32.1 306 325 A P + 0 0 14 0, 0.0 461,-3.4 0, 0.0 2,-0.3 -0.246 19.2 176.1 -72.2 156.2 58.4 76.2 30.9 307 326 A Y B -J 284 0G 24 -23,-1.3 -23,-1.2 459,-0.3 458,-0.0 -0.978 33.9-115.9-157.8 149.8 57.1 75.2 27.5 308 327 A T E -P 749 0I 0 441,-2.8 441,-1.9 -2,-0.3 -25,-0.2 -0.820 33.4-136.6 -92.7 107.7 55.9 72.1 25.8 309 328 A P E -P 748 0I 15 0, 0.0 -47,-2.7 0, 0.0 2,-0.3 -0.404 31.2-171.2 -63.7 134.2 58.4 71.2 23.0 310 329 A V E -G 261 0D 12 437,-2.0 2,-0.3 -49,-0.3 -51,-0.0 -0.882 20.2-148.0-133.1 163.0 56.6 70.2 19.9 311 330 A E E -G 260 0D 86 -51,-2.9 -51,-2.3 -2,-0.3 2,-0.8 -0.883 24.0-119.3-124.5 157.8 57.0 68.7 16.4 312 331 A H E -G 259 0D 72 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.847 29.4-162.8-100.8 106.9 55.2 69.2 13.2 313 332 A V E -G 258 0D 17 -55,-1.7 -55,-2.1 -2,-0.8 2,-0.4 -0.798 3.9-153.4 -96.8 125.2 53.6 66.0 11.9 314 333 A V - 0 0 81 -2,-0.5 -57,-0.1 -57,-0.2 -58,-0.1 -0.795 36.8 -93.2 -95.3 133.1 52.5 65.8 8.3 315 334 A F - 0 0 4 -2,-0.4 -1,-0.1 -60,-0.3 -58,-0.1 -0.171 40.1-165.8 -47.2 123.7 49.7 63.3 7.5 316 335 A N > - 0 0 66 3,-0.1 3,-2.0 1,-0.1 7,-0.2 -0.934 12.8-155.3-119.1 103.7 51.2 60.0 6.5 317 336 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.646 92.9 65.2 -51.9 -17.5 48.6 57.7 4.8 318 337 A S T 3 S+ 0 0 46 1,-0.1 2,-0.7 52,-0.1 3,-0.1 0.838 83.1 85.8 -76.0 -33.6 50.6 54.7 5.9 319 338 A S <> - 0 0 28 -3,-2.0 4,-1.9 1,-0.2 5,-0.2 -0.590 60.3-164.9 -75.0 110.3 50.0 55.4 9.6 320 339 A R H > S+ 0 0 114 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.776 90.9 61.9 -62.5 -25.7 46.7 53.8 10.6 321 340 A D H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 103.5 44.7 -65.4 -52.4 47.0 56.1 13.7 322 341 A H H > S+ 0 0 23 -6,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 113.3 53.0 -57.0 -42.4 46.8 59.4 11.7 323 342 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 -7,-0.2 -1,-0.2 0.863 110.6 46.0 -61.2 -38.6 44.0 57.8 9.7 324 343 A Q H X S+ 0 0 34 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.818 112.7 52.4 -73.7 -31.6 42.1 57.1 12.9 325 344 A K H X S+ 0 0 58 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.912 113.1 41.6 -71.0 -43.8 42.9 60.6 14.1 326 345 A K H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.828 114.3 50.0 -76.2 -32.2 41.5 62.4 11.1 327 346 A L H ><>S+ 0 0 2 -4,-1.7 5,-2.0 -5,-0.2 3,-1.3 0.864 109.2 48.4 -77.6 -35.9 38.4 60.3 10.5 328 347 A Q H ><5S+ 0 0 72 -4,-1.4 3,-2.7 1,-0.3 -1,-0.2 0.923 107.1 59.2 -66.9 -38.7 37.1 60.5 14.1 329 348 A E T 3<5S+ 0 0 121 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.515 104.2 52.3 -64.3 -3.6 37.7 64.2 13.8 330 349 A A T < 5S- 0 0 20 -3,-1.3 26,-0.8 2,-0.1 27,-0.3 0.333 138.0 -83.0-111.5 1.6 35.3 64.0 10.9 331 350 A G T < 5S+ 0 0 49 -3,-2.7 2,-0.5 1,-0.3 -3,-0.2 0.601 77.8 150.4 107.4 15.6 32.7 62.2 12.9 332 351 A W < - 0 0 21 -5,-2.0 -1,-0.3 -8,-0.1 -2,-0.1 -0.713 29.6-160.3 -85.5 124.1 33.8 58.6 12.8 333 352 A V - 0 0 116 -2,-0.5 -5,-0.0 -6,-0.0 -1,-0.0 -0.847 19.1-132.8-105.8 99.0 32.9 56.6 15.8 334 353 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 11,-0.1 -0.155 23.4-176.5 -48.8 139.5 35.1 53.5 16.1 335 354 A T + 0 0 111 1,-0.3 2,-0.5 9,-0.2 14,-0.0 0.818 66.8 37.5-104.0 -57.4 33.2 50.3 16.7 336 355 A K - 0 0 84 8,-0.1 8,-1.7 0, 0.0 -1,-0.3 -0.887 68.8-170.2-106.1 122.1 35.7 47.5 17.1 337 356 A Y B -Q 343 0J 123 -2,-0.5 2,-0.1 6,-0.2 4,-0.0 -0.556 32.7 -92.7-101.3 168.2 39.0 48.2 18.8 338 357 A T > - 0 0 60 4,-4.0 2,-1.5 -2,-0.2 3,-0.7 -0.445 42.2-102.5 -77.3 157.6 42.1 46.0 19.0 339 358 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.009 119.3 52.9 -69.9 35.1 42.4 43.7 22.0 340 359 A K T 3 S- 0 0 135 -2,-1.5 -1,-0.3 2,-0.2 -2,-0.1 -0.086 125.2 -75.8-166.0 51.1 44.9 46.2 23.3 341 360 A G S < S+ 0 0 75 -3,-0.7 -2,-0.1 1,-0.1 -4,-0.0 0.955 90.8 100.2 49.4 81.8 43.5 49.7 23.3 342 361 A A - 0 0 39 -4,-0.4 -4,-4.0 2,-0.0 -2,-0.2 -0.731 69.7-101.5 173.8 134.8 43.4 51.1 19.8 343 362 A P B -Q 337 0J 28 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.269 39.0-113.6 -64.0 148.3 40.8 51.5 16.9 344 363 A V + 0 0 27 -8,-1.7 -9,-0.2 1,-0.1 -8,-0.1 -0.729 34.4 175.2 -87.5 129.6 40.8 49.0 14.1 345 364 A V + 0 0 12 -2,-0.5 2,-0.2 4,-0.1 -1,-0.1 -0.352 23.9 138.2-130.7 54.3 41.7 50.5 10.7 346 365 A D S >> S- 0 0 68 1,-0.1 4,-2.6 -26,-0.0 3,-0.5 -0.555 71.3 -95.8 -93.2 164.1 41.9 47.7 8.3 347 366 A D H 3> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.790 122.7 60.0 -48.8 -31.7 40.5 47.9 4.7 348 367 A E H 3> S+ 0 0 143 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.957 111.1 36.4 -64.9 -51.2 37.2 46.3 5.9 349 368 A V H X> S+ 0 0 7 -3,-0.5 3,-1.5 2,-0.2 4,-1.4 0.923 112.5 57.7 -69.0 -43.1 36.4 49.0 8.4 350 369 A L H 3< S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.882 104.5 56.6 -52.4 -34.4 37.7 51.8 6.3 351 370 A E H 3< S+ 0 0 92 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.793 109.9 43.2 -67.1 -28.8 35.2 50.4 3.8 352 371 A G H << S+ 0 0 49 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.537 85.4 114.9 -96.4 -7.1 32.4 50.9 6.4 353 372 A V < - 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0 0 0 -3,-1.4 3,-1.0 -5,-0.1 4,-0.8 -0.249 53.2-124.0 -60.1 141.7 61.9 43.3 -2.4 387 406 A W H >> S+ 0 0 3 -8,-1.7 4,-1.8 1,-0.3 3,-1.7 0.916 111.9 53.5 -51.7 -49.4 62.0 41.5 -5.7 388 407 A L H 34 S+ 0 0 44 -8,-2.3 -1,-0.3 1,-0.3 -7,-0.1 0.781 108.6 50.9 -59.9 -25.9 64.3 44.1 -7.3 389 408 A R H <4 S+ 0 0 145 -3,-1.0 -1,-0.3 -6,-0.1 -2,-0.2 0.579 113.4 46.9 -86.3 -10.6 66.7 43.7 -4.3 390 409 A Y H << S+ 0 0 80 -3,-1.7 8,-0.4 -4,-0.8 -2,-0.2 0.702 77.8 109.6-105.1 -20.8 66.7 39.9 -4.9 391 410 A V < - 0 0 31 -4,-1.8 6,-0.2 6,-0.1 2,-0.1 -0.291 57.3-145.8 -57.4 138.3 67.2 39.3 -8.6 392 411 A A > - 0 0 45 4,-2.2 3,-1.8 1,-0.0 -1,-0.1 -0.405 28.4 -92.9-100.4 177.9 70.7 37.9 -9.4 393 412 A E T 3 S+ 0 0 206 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.818 122.8 62.1 -59.2 -34.8 73.1 38.3 -12.3 394 413 A D T 3 S- 0 0 83 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.423 119.2-112.7 -73.1 3.2 71.7 35.3 -14.0 395 414 A G S < S+ 0 0 25 -3,-1.8 -167,-2.4 1,-0.2 2,-0.3 0.700 79.7 110.0 75.0 21.3 68.4 37.2 -14.2 396 415 A K E -E 227 0B 14 -169,-0.2 -4,-2.2 -6,-0.1 2,-0.7 -0.898 66.6-126.5-129.1 156.6 66.5 35.0 -11.8 397 416 A I E -E 226 0B 1 -171,-1.9 2,-1.4 -2,-0.3 -171,-1.2 -0.911 18.4-158.5-101.3 114.1 65.2 35.2 -8.2 398 417 A H - 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U 0 663M 3 168,-2.9 3,-0.7 -2,-0.4 206,-0.3 -0.577 41.7-115.3 -70.0 123.8 46.1 19.9 -8.0 458 477 A S T 3 S- 0 0 27 204,-1.8 204,-0.4 -2,-0.4 5,-0.2 -0.426 71.5 -33.8 -69.9 131.0 42.4 20.1 -8.5 459 478 A G T >> S+ 0 0 33 -2,-0.2 4,-2.1 1,-0.1 3,-0.7 0.718 77.7 169.4 26.7 46.7 40.2 20.9 -5.5 460 479 A L H <> + 0 0 13 -3,-0.7 4,-2.8 1,-0.2 5,-0.3 0.856 66.4 56.7 -51.5 -45.2 42.6 19.1 -3.2 461 480 A E H 3> S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.861 110.9 43.4 -59.5 -37.5 41.1 20.2 0.1 462 481 A L H <> S+ 0 0 5 -3,-0.7 4,-3.2 2,-0.2 -1,-0.2 0.871 113.3 51.6 -74.8 -37.6 37.7 18.9 -0.8 463 482 A R H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.904 109.2 50.3 -66.4 -37.9 39.1 15.6 -2.1 464 483 A C H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.872 112.3 48.5 -66.9 -33.7 41.1 15.2 1.1 465 484 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.944 110.1 50.5 -69.0 -47.1 37.9 15.8 3.0 466 485 A A H >X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 3,-0.8 0.956 109.2 52.8 -52.0 -54.7 36.0 13.3 0.8 467 486 A H H >< S+ 0 0 29 -4,-2.7 3,-0.7 1,-0.3 4,-0.3 0.882 110.4 45.8 -47.0 -52.3 38.7 10.7 1.4 468 487 A F H 3< S+ 0 0 44 -4,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.715 113.7 48.2 -71.2 -21.0 38.5 11.0 5.2 469 488 A M H XX S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.8 3,-1.7 0.515 87.1 88.7 -95.8 -2.7 34.7 10.9 5.3 470 489 A A H < S- 0 0 16 -4,-1.8 3,-0.8 -7,-0.2 -3,-0.2 0.302 98.6-120.0-124.4 7.9 29.7 7.7 3.8 474 493 A N T 3< S- 0 0 136 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.1 0.805 77.7 -46.8 58.7 35.3 31.4 5.0 1.6 475 494 A G T 3> S+ 0 0 12 -9,-0.2 4,-3.4 -6,-0.1 -1,-0.2 0.625 100.0 134.4 84.6 13.2 32.7 7.5 -0.9 476 495 A E H <> S+ 0 0 138 -3,-0.8 4,-2.2 2,-0.2 5,-0.1 0.937 76.8 40.4 -59.8 -50.6 29.5 9.4 -1.2 477 496 A Y H > S+ 0 0 15 2,-0.2 4,-1.8 -11,-0.2 -1,-0.2 0.917 116.3 51.5 -65.1 -43.9 31.1 12.8 -1.0 478 497 A A H > S+ 0 0 6 -12,-0.3 4,-1.8 1,-0.2 3,-0.2 0.936 110.6 47.9 -58.4 -49.1 34.0 11.7 -3.2 479 498 A H H <>S+ 0 0 117 -4,-3.4 5,-0.5 1,-0.2 4,-0.4 0.898 110.3 52.3 -59.1 -42.8 31.6 10.4 -5.8 480 499 A E H >X5S+ 0 0 70 -4,-2.2 4,-0.7 -5,-0.2 3,-0.5 0.821 105.6 56.7 -64.3 -31.9 29.6 13.6 -5.7 481 500 A I H 3<5S+ 0 0 29 -4,-1.8 5,-0.3 1,-0.2 -2,-0.2 0.965 114.0 35.7 -64.6 -53.0 32.7 15.6 -6.2 482 501 A L T 3<5S+ 0 0 51 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.267 135.4 20.8 -87.4 12.3 33.8 13.9 -9.5 483 502 A N T <45S+ 0 0 113 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.2 0.509 120.2 36.3-142.1 -48.4 30.3 13.5 -10.9 484 503 A G S <> - 0 0 45 1,-0.2 4,-3.0 -3,-0.1 3,-0.8 -0.859 38.0-174.7-118.5 89.9 28.1 19.4 -8.2 486 505 A I H 3> S+ 0 0 10 -2,-0.6 4,-3.0 -6,-0.5 5,-0.3 0.895 86.6 57.2 -51.4 -40.7 29.5 19.1 -4.7 487 506 A H H 3> S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.861 109.7 43.4 -59.8 -37.1 29.1 22.9 -4.5 488 507 A T H <> S+ 0 0 64 -3,-0.8 4,-2.3 2,-0.2 5,-0.3 0.930 111.0 54.7 -73.7 -44.4 25.4 22.6 -5.2 489 508 A K H X S+ 0 0 37 -4,-3.0 4,-1.9 1,-0.3 -2,-0.2 0.894 112.9 42.9 -53.9 -42.8 25.2 19.6 -2.8 490 509 A N H X S+ 0 0 2 -4,-3.0 4,-2.3 2,-0.2 -1,-0.3 0.786 108.3 60.3 -73.6 -27.3 26.7 21.8 -0.1 491 510 A Q H < S+ 0 0 5 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.868 111.2 40.0 -66.4 -35.3 24.5 24.6 -1.3 492 511 A I H < S+ 0 0 122 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.809 111.3 58.2 -81.6 -32.3 21.5 22.5 -0.5 493 512 A A H < S+ 0 0 8 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.997 117.0 31.8 -58.1 -66.3 23.1 21.2 2.7 494 513 A A S < S- 0 0 0 -4,-2.3 39,-0.1 1,-0.1 38,-0.1 -0.463 92.6-126.4 -82.0 163.6 23.5 24.6 4.2 495 514 A E + 0 0 138 -2,-0.1 -1,-0.1 37,-0.1 7,-0.1 0.978 53.8 142.3 -77.2 -60.1 20.7 27.1 3.1 496 515 A L - 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