==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ELECTRON TRANSPORT/DNA 05-MAR-04 1SKS . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,S.DUTTA,S.DOUBLIE,H.M.BDOUR,J.S.TAYLOR,T.ELLENBERGER . 786 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.9 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 . 38 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 2 0 1 2 4 1 0 1 2 2 2 0 1 0 0 1 0 1 1 2 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 8 2 2 1 2 4 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 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 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 18 0, 0.0 25,-2.2 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 135.1 78.2 6.1 7.5 2 2 A I E -Ab 25 56A 3 53,-2.5 55,-2.8 23,-0.2 2,-0.4 -0.919 360.0-145.9-126.3 154.3 80.3 9.2 7.8 3 3 A V E +Ab 24 57A 0 21,-2.4 21,-2.6 -2,-0.3 2,-0.3 -0.965 29.2 171.8-117.9 133.9 79.5 12.7 9.2 4 4 A S E +A 23 0A 0 53,-3.2 55,-0.4 -2,-0.4 2,-0.3 -0.939 20.3 179.0-144.7 166.1 81.0 15.7 7.5 5 5 A D E -A 22 0A 18 17,-1.3 17,-2.0 -2,-0.3 2,-0.3 -0.964 11.6-156.7-160.7 148.2 81.2 19.5 7.3 6 6 A I E -A 21 0A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.924 9.7-145.9-131.7 157.6 83.1 22.0 5.2 7 7 A E E +A 20 0A 21 13,-3.0 12,-2.5 -2,-0.3 13,-1.8 -0.987 26.6 170.8-120.9 129.8 84.1 25.6 5.5 8 8 A A E -A 18 0A 5 -2,-0.4 10,-0.2 10,-0.2 7,-0.0 -0.758 43.6-100.5-129.3 177.8 84.3 27.7 2.3 9 9 A N S S- 0 0 34 8,-1.8 2,-0.3 -2,-0.2 145,-0.1 0.497 89.2 -7.0 -84.9 -2.7 84.8 31.4 1.6 10 10 A A S S- 0 0 32 7,-0.2 -2,-0.1 145,-0.0 5,-0.1 -0.957 85.7 -60.0-169.4-176.8 81.2 32.5 0.8 11 11 A L >> - 0 0 88 -2,-0.3 3,-1.5 1,-0.1 4,-1.4 -0.364 63.5 -93.1 -75.5 162.7 77.6 31.5 0.3 12 12 A L G >4 S+ 0 0 25 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.869 120.4 63.7 -41.3 -54.9 76.7 29.1 -2.6 13 13 A E G 34 S+ 0 0 138 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.770 123.5 12.7 -43.3 -40.7 76.0 31.9 -5.0 14 14 A S G <4 S+ 0 0 78 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.301 85.9 139.9-126.6 11.1 79.6 33.2 -5.0 15 15 A V << + 0 0 0 -4,-1.4 3,-0.1 -3,-0.8 -4,-0.0 -0.251 10.3 157.9 -59.5 142.7 81.7 30.6 -3.3 16 16 A T + 0 0 80 1,-0.2 2,-0.4 59,-0.0 -1,-0.1 0.452 51.9 55.9-141.3 -14.8 85.1 30.1 -4.9 17 17 A K - 0 0 94 58,-0.0 -8,-1.8 59,-0.0 2,-0.5 -0.981 61.0-142.5-136.6 135.6 87.5 28.5 -2.4 18 18 A F E +A 8 0A 0 -2,-0.4 -10,-0.2 -10,-0.2 21,-0.1 -0.776 19.9 178.5 -87.6 124.6 87.4 25.5 -0.2 19 19 A H E - 0 0 2 -12,-2.5 2,-0.3 -2,-0.5 -11,-0.2 0.893 55.7 -38.4 -92.7 -56.8 89.0 26.3 3.2 20 20 A C E -A 7 0A 0 -13,-1.8 -13,-3.0 15,-0.2 -1,-0.4 -0.988 46.2-157.3-162.7 169.7 88.7 23.0 5.1 21 21 A G E -AC 6 34A 0 13,-2.0 13,-2.5 -2,-0.3 2,-0.4 -0.977 6.4-151.4-150.8 159.9 86.6 19.9 5.9 22 22 A V E -AC 5 33A 0 -17,-2.0 -17,-1.3 -2,-0.3 2,-0.4 -0.999 7.2-164.5-137.6 137.6 86.2 17.3 8.6 23 23 A I E -AC 4 32A 8 9,-2.4 9,-2.6 -2,-0.4 2,-0.5 -0.979 5.4-165.3-126.0 136.2 85.1 13.7 8.3 24 24 A Y E -AC 3 31A 23 -21,-2.6 -21,-2.4 -2,-0.4 2,-0.6 -0.986 13.0-157.4-116.3 122.3 84.0 11.4 11.1 25 25 A D E >>> -AC 2 30A 27 5,-1.6 4,-1.9 -2,-0.5 3,-1.0 -0.892 9.7-159.0-104.9 120.0 83.9 7.8 10.1 26 26 A Y T 345S+ 0 0 41 -25,-2.2 -1,-0.1 -2,-0.6 -24,-0.1 0.837 91.8 60.0 -64.3 -31.3 81.7 5.5 12.2 27 27 A S T 345S+ 0 0 96 -26,-0.3 -1,-0.2 1,-0.2 -25,-0.1 0.647 122.3 22.5 -73.3 -14.1 83.5 2.4 11.0 28 28 A T T <45S- 0 0 70 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.412 94.1-136.3-126.6 -7.5 86.8 3.7 12.5 29 29 A A T <5 + 0 0 62 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.780 60.5 128.0 54.4 32.7 85.5 6.2 15.1 30 30 A E E < -C 25 0A 122 -5,-0.7 -5,-1.6 2,-0.0 2,-0.5 -0.905 56.0-133.9-124.8 149.5 88.1 8.8 14.1 31 31 A Y E -C 24 0A 97 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.849 21.3-169.9 -99.0 128.5 88.1 12.4 13.1 32 32 A V E -C 23 0A 65 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.3 -0.972 7.0-153.1-121.3 130.3 90.1 13.5 10.1 33 33 A S E -C 22 0A 41 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.746 3.4-161.2-101.4 149.2 90.8 17.1 9.1 34 34 A Y E -C 21 0A 33 -13,-2.5 -13,-2.0 -2,-0.3 -2,-0.0 -0.984 6.8-160.0-131.3 119.2 91.5 18.3 5.6 35 35 A R > - 0 0 95 -2,-0.4 3,-3.1 -15,-0.2 4,-0.2 -0.367 45.0 -79.9 -89.9 175.3 93.1 21.6 5.0 36 36 A P G > S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.840 130.9 53.1 -44.4 -43.9 93.0 23.6 1.7 37 37 A S G 3 S+ 0 0 114 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.465 104.2 60.9 -74.4 3.9 95.7 21.5 0.0 38 38 A D G <> + 0 0 57 -3,-3.1 4,-2.7 1,-0.1 3,-0.4 0.307 66.1 110.3-110.0 7.7 93.7 18.4 0.9 39 39 A F H <> S+ 0 0 3 -3,-1.5 4,-2.4 1,-0.3 5,-0.2 0.914 79.2 51.3 -48.4 -50.4 90.5 19.3 -1.0 40 40 A G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 111.3 47.0 -56.2 -40.9 91.2 16.5 -3.5 41 41 A A H > S+ 0 0 47 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.874 108.5 56.5 -69.5 -36.7 91.7 13.9 -0.7 42 42 A Y H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.964 109.0 45.7 -57.9 -52.0 88.5 15.2 1.0 43 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.872 110.5 53.3 -59.3 -41.3 86.5 14.5 -2.2 44 44 A D H X S+ 0 0 83 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.876 105.1 55.0 -64.4 -35.9 88.1 11.1 -2.7 45 45 A A H X S+ 0 0 28 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.880 110.7 45.9 -64.4 -35.9 87.1 10.2 0.9 46 46 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.923 111.1 50.2 -72.3 -46.0 83.4 11.0 0.1 47 47 A E H X S+ 0 0 76 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.797 106.6 57.7 -63.1 -26.6 83.4 9.1 -3.2 48 48 A A H X S+ 0 0 33 -4,-1.7 4,-1.7 2,-0.2 3,-0.3 0.952 103.6 51.0 -67.4 -47.3 84.8 6.1 -1.4 49 49 A E H <>S+ 0 0 8 -4,-1.5 5,-2.9 1,-0.3 -1,-0.2 0.861 110.7 50.6 -57.2 -34.3 81.9 6.1 1.0 50 50 A V H ><5S+ 0 0 38 -4,-1.6 3,-1.1 3,-0.2 -1,-0.3 0.831 104.4 57.1 -72.7 -31.4 79.7 6.2 -2.1 51 51 A A H 3<5S+ 0 0 89 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.844 106.5 50.0 -67.5 -31.4 81.6 3.2 -3.6 52 52 A R T 3<5S- 0 0 154 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.422 117.8-114.1 -84.6 0.1 80.7 1.2 -0.5 53 53 A G T < 5S+ 0 0 19 -3,-1.1 144,-2.1 -5,-0.2 145,-0.3 0.855 70.9 144.6 69.3 32.4 77.0 2.2 -0.9 54 54 A G < - 0 0 5 -5,-2.9 2,-0.4 142,-0.2 143,-0.1 -0.028 46.8-103.7 -90.8-164.3 77.3 4.1 2.4 55 55 A L - 0 0 0 140,-0.1 -53,-2.5 138,-0.1 2,-0.5 -0.957 15.0-153.0-129.4 144.9 75.8 7.3 3.7 56 56 A I E -bd 2 88A 0 31,-2.8 33,-2.7 -2,-0.4 2,-0.5 -0.974 12.4-154.6-118.1 127.0 77.2 10.9 4.2 57 57 A V E +bd 3 89A 0 -55,-2.8 -53,-3.2 -2,-0.5 2,-0.3 -0.892 20.3 164.3-106.2 125.4 75.6 13.1 6.8 58 58 A F E - d 0 90A 1 31,-2.2 33,-1.8 -2,-0.5 2,-0.7 -0.905 37.7-124.2-129.3 155.6 75.8 16.9 6.5 59 59 A H S S- 0 0 11 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.941 100.8 -7.6-103.7 118.4 73.8 19.5 8.4 60 60 A N S >>S+ 0 0 25 -2,-0.7 4,-1.3 4,-0.1 5,-0.7 0.846 93.8 141.4 64.2 35.4 72.0 21.6 5.7 61 61 A G T 4> + 0 0 1 -3,-0.3 5,-2.3 3,-0.2 7,-0.2 0.722 56.6 66.5 -81.0 -21.4 74.0 19.8 3.1 62 62 A H T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.890 112.9 31.9 -66.6 -36.9 71.1 19.6 0.6 63 63 A K T 45S+ 0 0 41 -3,-0.1 -2,-0.2 3,-0.1 -1,-0.2 0.743 139.4 4.1 -93.3 -23.4 71.2 23.4 0.1 64 64 A Y T X5S+ 0 0 42 -4,-1.3 4,-3.0 3,-0.1 5,-0.3 0.680 119.2 46.4-124.4 -71.5 74.8 24.2 0.7 65 65 A D H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.869 115.0 54.4 -64.4 -35.3 76.0 21.8 -4.3 68 68 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.893 105.4 51.8 -65.9 -39.4 79.1 23.8 -3.1 69 69 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.905 108.3 51.2 -65.2 -40.5 81.3 20.7 -3.5 70 70 A T H X S+ 0 0 38 -4,-1.7 4,-1.7 2,-0.2 11,-0.2 0.957 115.4 42.9 -58.0 -51.3 80.2 20.2 -7.1 71 71 A K H X S+ 0 0 66 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 115.9 46.7 -61.1 -49.6 80.9 23.9 -7.9 72 72 A L H X>S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.5 0.835 108.5 55.8 -66.1 -32.8 84.2 24.0 -6.0 73 73 A A H X5S+ 0 0 0 -4,-2.5 6,-2.5 -5,-0.2 4,-1.4 0.906 111.4 44.4 -67.2 -38.3 85.5 20.7 -7.5 74 74 A K H X5S+ 0 0 99 -4,-1.7 4,-0.9 4,-0.3 -2,-0.2 0.939 119.2 41.9 -70.2 -44.9 84.9 22.2 -11.0 75 75 A L H <5S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.933 126.2 28.5 -69.1 -48.5 86.5 25.5 -10.2 76 76 A Q H <5S+ 0 0 62 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.773 138.2 18.9 -86.8 -28.0 89.5 24.5 -8.2 77 77 A L H < - 0 0 42 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.406 13.7-126.4 -67.7 142.9 74.0 11.0 -5.5 85 85 A R G > S+ 0 0 43 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.883 107.0 62.2 -54.1 -42.6 70.8 12.0 -3.6 86 86 A E G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.672 100.3 54.5 -61.4 -18.3 70.3 8.5 -2.2 87 87 A N G < S+ 0 0 4 -3,-1.6 -31,-2.8 -32,-0.1 2,-0.4 0.386 94.1 88.8 -97.5 5.0 73.7 8.7 -0.4 88 88 A C E < -d 56 0A 1 -3,-1.9 2,-0.4 -4,-0.2 -31,-0.2 -0.884 46.9-176.9-116.4 135.4 73.0 11.9 1.5 89 89 A I E -d 57 0A 1 -33,-2.7 -31,-2.2 -2,-0.4 2,-0.5 -0.942 10.3-159.2-119.9 142.8 71.3 12.5 4.9 90 90 A D E > -d 58 0A 1 -2,-0.4 4,-2.2 -33,-0.2 -31,-0.2 -0.973 8.7-159.7-126.4 115.6 70.7 16.1 6.2 91 91 A T H > S+ 0 0 0 -33,-1.8 4,-2.2 -2,-0.5 -32,-0.2 0.734 94.4 57.1 -68.0 -20.4 70.2 16.5 9.9 92 92 A L H > S+ 0 0 11 -34,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.924 108.2 46.5 -73.7 -42.0 68.5 19.9 9.4 93 93 A V H > S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.908 114.6 48.1 -63.5 -42.1 65.9 18.2 7.1 94 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 3,-0.3 0.896 110.0 52.1 -65.1 -40.8 65.5 15.4 9.8 95 95 A S H X S+ 0 0 12 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.883 106.9 52.3 -62.2 -41.8 65.2 17.9 12.6 96 96 A R H < S+ 0 0 15 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.749 113.6 45.5 -67.3 -23.9 62.4 19.8 10.8 97 97 A L H >< S+ 0 0 2 -4,-1.0 3,-0.8 -3,-0.3 -2,-0.2 0.932 120.8 35.1 -82.8 -51.4 60.6 16.6 10.4 98 98 A I H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.786 128.0 37.1 -75.7 -27.6 60.9 15.2 13.9 99 99 A H T >< S+ 0 0 49 -4,-2.8 3,-1.7 -5,-0.3 -1,-0.2 -0.341 72.9 141.0-118.7 48.3 60.7 18.6 15.6 100 100 A S T < + 0 0 22 -3,-0.8 -1,-0.1 1,-0.3 317,-0.1 0.636 62.3 67.9 -64.9 -18.6 58.1 20.2 13.3 101 101 A N T 3 S+ 0 0 87 -3,-0.2 2,-0.3 314,-0.1 -1,-0.3 0.441 95.0 72.5 -82.8 0.6 56.4 21.9 16.3 102 102 A L S < S- 0 0 52 -3,-1.7 2,-0.2 -6,-0.1 17,-0.1 -0.826 74.1-134.1-116.7 155.6 59.4 24.1 16.7 103 103 A K - 0 0 105 15,-0.6 17,-0.4 13,-0.4 2,-0.3 -0.479 20.5-154.7 -95.6 171.7 60.8 27.0 14.7 104 104 A D - 0 0 41 -2,-0.2 20,-0.0 15,-0.1 15,-0.0 -0.971 29.8-117.6-146.2 160.1 64.5 27.5 13.8 105 105 A T >> - 0 0 6 -2,-0.3 5,-2.1 18,-0.1 4,-1.6 0.577 49.5-126.4 -73.5 -7.4 66.8 30.3 12.9 106 106 A D T >45S- 0 0 18 2,-0.2 3,-0.5 1,-0.2 -1,-0.0 0.976 76.3 -40.1 58.2 56.0 67.2 28.7 9.5 107 107 A M T 345S- 0 0 62 1,-0.2 -1,-0.2 16,-0.1 17,-0.1 0.874 115.4 -52.8 61.1 40.5 71.0 28.6 9.8 108 108 A G T 345S+ 0 0 40 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.699 109.1 115.2 72.7 21.0 71.2 32.0 11.4 109 109 A L T <<5S+ 0 0 107 -4,-1.6 2,-0.3 -3,-0.5 -3,-0.2 0.710 73.4 54.8 -89.7 -24.1 69.2 34.0 8.8 110 110 A L S > - 0 0 203 -2,-0.3 3,-2.1 1,-0.2 4,-1.1 -0.645 19.6-139.9 -79.0 120.8 67.0 36.4 14.7 112 112 A S G >4 S+ 0 0 32 -2,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.879 99.0 63.0 -42.1 -51.0 66.5 33.9 17.5 113 113 A G G 34 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.713 101.0 50.4 -51.0 -28.6 64.7 36.6 19.6 114 114 A K G <4 S+ 0 0 69 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.824 89.0 90.6 -82.8 -33.6 61.9 37.0 17.1 115 115 A L S << S- 0 0 33 -4,-1.1 2,-0.1 -3,-0.7 -10,-0.0 -0.375 76.8-127.7 -64.5 136.4 61.0 33.3 16.7 116 116 A P + 0 0 87 0, 0.0 -13,-0.4 0, 0.0 -1,-0.1 -0.345 64.1 10.9 -81.8 168.5 58.3 32.1 19.2 117 117 A G S S- 0 0 75 -15,-0.1 2,-0.1 -2,-0.1 -15,-0.1 -0.046 100.9 -38.8 64.6-166.1 58.6 29.1 21.6 118 124 A A - 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0 0 0 -3,-1.4 3,-1.0 1,-0.1 4,-0.9 -0.219 56.3-120.1 -61.3 151.3 61.8 43.9 -2.4 395 406 A W H >> S+ 0 0 3 -8,-1.5 4,-1.5 1,-0.3 3,-0.9 0.892 111.8 56.2 -60.1 -43.0 62.1 42.0 -5.6 396 407 A L H 34 S+ 0 0 40 -8,-2.0 -1,-0.3 1,-0.3 -7,-0.1 0.678 105.1 53.8 -65.0 -17.7 64.5 44.6 -7.2 397 408 A R H <4 S+ 0 0 151 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.691 112.7 44.1 -86.4 -21.1 66.9 44.1 -4.3 398 409 A Y H << S+ 0 0 80 -3,-0.9 8,-0.4 -4,-0.9 -2,-0.2 0.658 78.0 115.9 -98.7 -18.0 66.9 40.3 -4.8 399 410 A V < - 0 0 38 -4,-1.5 6,-0.2 6,-0.1 2,-0.1 -0.278 56.1-144.5 -55.6 134.3 67.3 39.9 -8.6 400 411 A A > - 0 0 38 4,-2.7 3,-1.9 1,-0.1 4,-0.1 -0.422 27.6 -96.3 -95.0 173.9 70.6 38.2 -9.4 401 412 A E T 3 S+ 0 0 197 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 0.743 121.8 63.7 -63.6 -23.8 73.0 38.9 -12.3 402 413 A D T 3 S- 0 0 87 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.397 120.4-109.5 -81.1 7.7 71.5 35.9 -14.2 403 414 A G S < S+ 0 0 27 -3,-1.9 -175,-2.5 1,-0.3 2,-0.3 0.789 81.7 112.3 72.8 29.5 68.2 37.9 -14.2 404 415 A K E -E 227 0B 15 -177,-0.2 -4,-2.7 -4,-0.1 2,-0.5 -0.933 63.8-130.4-133.1 155.2 66.4 35.6 -11.8 405 416 A I E -E 226 0B 0 -179,-2.0 -179,-2.2 -2,-0.3 2,-0.9 -0.930 16.9-157.4-104.0 125.6 65.2 35.8 -8.2 406 417 A H - 0 0 61 -2,-0.5 2,-0.1 -8,-0.4 -184,-0.1 -0.723 16.9-168.5-104.1 80.6 66.3 32.8 -6.1 407 418 A G - 0 0 11 -2,-0.9 16,-0.2 1,-0.1 2,-0.1 -0.416 19.5-118.1 -72.7 144.9 63.8 32.7 -3.3 408 419 A S E -N 422 0K 22 14,-2.1 14,-2.0 15,-0.2 2,-0.4 -0.458 26.8-165.8 -80.5 151.7 64.3 30.5 -0.2 409 420 A V E -N 421 0K 6 12,-0.2 12,-0.2 -2,-0.1 -187,-0.1 -0.979 17.9-154.5-143.5 126.7 62.0 27.6 0.7 410 421 A N E > -N 420 0K 20 10,-2.7 10,-1.9 -2,-0.4 3,-1.8 -0.879 16.9-154.0 -98.6 100.4 61.7 25.6 3.9 411 422 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.746 92.3 25.4 -45.4 -31.5 60.3 22.3 2.6 412 423 A N T 3 S+ 0 0 9 1,-0.1 7,-0.2 7,-0.1 6,-0.1 -0.290 77.6 137.0-132.9 50.2 58.7 21.6 5.9 413 424 A G < + 0 0 20 -3,-1.8 2,-0.3 5,-0.1 6,-0.2 0.566 61.0 59.8 -76.3 -10.3 58.2 25.0 7.5 414 425 A A S > S- 0 0 29 4,-2.0 3,-2.3 -4,-0.2 -313,-0.1 -0.913 86.4-118.3-120.0 149.7 54.7 24.4 8.9 415 426 A V T 3 S+ 0 0 20 -2,-0.3 166,-0.2 1,-0.3 -315,-0.1 0.838 113.0 58.5 -49.1 -40.8 53.5 21.8 11.4 416 427 A T T 3 S- 0 0 6 164,-0.1 -1,-0.3 1,-0.1 183,-0.2 0.578 124.1-100.3 -69.3 -10.4 51.2 20.3 8.7 417 428 A G S < S+ 0 0 0 -3,-2.3 -2,-0.1 1,-0.3 -4,-0.1 0.492 77.3 142.1 101.5 2.8 54.1 19.6 6.4 418 429 A R - 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0 0 8 -3,-0.5 8,-0.0 1,-0.1 -3,-0.0 -0.558 68.7 -93.1 -72.3 136.5 53.0 37.9 -5.1 430 441 A P - 0 0 12 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.228 44.1-120.3 -53.4 135.1 49.8 39.8 -5.8 431 442 A G > - 0 0 30 1,-0.1 3,-2.0 -3,-0.1 6,-0.2 -0.348 22.9-106.8 -75.5 159.3 47.2 37.8 -7.8 432 443 A V T 3 S+ 0 0 48 1,-0.3 6,-0.4 5,-0.2 5,-0.2 0.749 116.8 61.5 -57.9 -25.9 45.9 38.8 -11.2 433 444 A R T 3 S+ 0 0 241 4,-0.1 -1,-0.3 2,-0.1 3,-0.0 0.549 95.0 75.0 -79.8 -7.1 42.6 39.8 -9.7 434 445 A S S X S- 0 0 40 -3,-2.0 3,-2.2 1,-0.1 4,-0.4 -0.661 102.0 -69.2-103.7 162.2 44.1 42.4 -7.4 435 446 A P T 3 S- 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.249 117.7 -4.0 -52.5 125.2 45.4 46.0 -8.3 436 447 A Y T 3> S+ 0 0 55 -4,-0.1 4,-2.1 1,-0.1 5,-0.2 0.442 97.2 124.2 69.3 3.9 48.6 45.9 -10.4 437 448 A G H <> + 0 0 0 -3,-2.2 4,-3.0 -6,-0.2 5,-0.3 0.853 65.6 56.5 -61.4 -38.0 48.6 42.1 -10.0 438 449 A E H > S+ 0 0 135 -6,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.916 110.6 44.0 -62.0 -42.6 48.7 41.5 -13.8 439 450 A Q H > S+ 0 0 90 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.880 116.4 46.5 -69.3 -38.5 51.8 43.6 -14.2 440 451 A C H >< S+ 0 0 4 -4,-2.1 3,-0.8 2,-0.2 4,-0.4 0.952 116.1 44.2 -66.1 -52.0 53.5 42.0 -11.1 441 452 A R H >< S+ 0 0 20 -4,-3.0 3,-1.3 1,-0.2 238,-0.7 0.853 108.9 57.9 -61.9 -37.4 52.6 38.5 -12.1 442 453 A A H 3< S+ 0 0 30 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.717 95.1 65.5 -68.1 -21.3 53.6 39.0 -15.7 443 454 A A T << S+ 0 0 2 -3,-0.8 -214,-2.4 -4,-0.8 2,-0.5 0.645 94.2 68.0 -75.9 -16.3 57.1 40.0 -14.6 444 455 A F B < S+F 228 0C 0 -3,-1.3 235,-3.0 -4,-0.4 236,-0.4 -0.919 74.4 105.0-104.0 126.1 57.7 36.4 -13.4 445 456 A G S > S- 0 0 0 -218,-2.1 3,-2.0 -2,-0.5 233,-0.2 -0.810 75.8-103.3 167.3 150.7 57.9 33.8 -16.1 446 457 A A G > S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.2 12,-1.3 0.726 109.1 74.2 -59.3 -23.0 59.9 31.5 -18.2 447 458 A E G 3 S+ 0 0 65 230,-2.3 -1,-0.3 1,-0.3 231,-0.1 0.748 87.5 62.5 -63.3 -22.5 59.6 33.9 -21.2 448 459 A H G < S+ 0 0 48 -3,-2.0 2,-0.5 229,-0.3 -1,-0.3 0.468 90.5 80.6 -81.8 -2.7 62.1 36.1 -19.4 449 460 A H S < S- 0 0 19 -3,-1.9 9,-1.4 -222,-0.1 2,-0.5 -0.929 71.4-152.7-105.9 124.0 64.7 33.4 -19.7 450 461 A L B -O 457 0L 107 -2,-0.5 6,-0.1 7,-0.2 5,-0.1 -0.833 31.4-101.7 -97.0 130.3 66.5 33.1 -23.1 451 462 A D > - 0 0 15 5,-2.8 4,-1.9 -2,-0.5 171,-0.1 -0.196 24.7-131.0 -51.2 136.2 67.8 29.6 -24.0 452 463 A G T 4 S+ 0 0 71 169,-0.5 -1,-0.1 2,-0.2 170,-0.1 0.806 102.6 31.8 -60.3 -31.8 71.5 29.4 -23.4 453 464 A I T 4 S+ 0 0 158 3,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.920 133.2 23.0 -91.6 -54.5 72.1 27.9 -26.9 454 465 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.0 -3,-0.1 0.571 87.8-130.7 -92.9 -10.7 69.4 29.4 -29.2 455 466 A G < + 0 0 41 -4,-1.9 -3,-0.1 1,-0.3 -1,-0.0 0.574 60.6 139.5 72.8 5.4 68.5 32.6 -27.4 456 467 A K - 0 0 134 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.652 58.5-107.7 -85.3 138.1 64.8 31.7 -27.7 457 468 A P B -O 450 0L 64 0, 0.0 -7,-0.2 0, 0.0 -10,-0.2 -0.167 33.5-120.1 -59.6 157.3 62.6 32.4 -24.7 458 469 A W - 0 0 4 -9,-1.4 2,-0.3 -12,-1.3 182,-0.2 -0.471 20.7-123.7 -92.6 170.0 61.3 29.4 -22.7 459 470 A V E -P 639 0M 40 180,-3.0 180,-3.2 -2,-0.2 2,-0.4 -0.821 19.0-131.6-113.7 156.2 57.7 28.5 -22.2 460 471 A Q E -PQ 638 676M 0 216,-3.0 216,-1.7 -2,-0.3 2,-0.5 -0.882 9.5-160.8-114.9 140.0 55.9 28.1 -18.8 461 472 A A E -PQ 637 675M 0 176,-2.7 176,-2.4 -2,-0.4 2,-0.6 -0.959 6.6-163.7-118.0 116.6 53.6 25.3 -17.6 462 473 A G E -PQ 636 674M 5 212,-3.4 212,-2.7 -2,-0.5 2,-0.5 -0.893 11.4-173.8 -99.2 122.3 51.3 26.1 -14.7 463 474 A I E -PQ 635 673M 0 172,-2.4 172,-2.1 -2,-0.6 2,-0.4 -0.973 2.4-174.9-123.7 127.5 50.0 22.9 -13.0 464 475 A D E -PQ 634 672M 48 208,-2.9 208,-2.0 -2,-0.5 2,-0.4 -0.928 27.1-126.5-123.0 141.4 47.4 22.9 -10.3 465 476 A A E > - Q 0 671M 3 168,-2.4 3,-0.6 -2,-0.4 2,-0.4 -0.730 40.8-118.5 -81.9 130.9 45.9 20.1 -8.2 466 477 A S T 3 S- 0 0 35 204,-2.0 204,-0.4 -2,-0.4 5,-0.2 -0.599 72.8 -31.6 -79.6 127.8 42.1 20.4 -8.5 467 478 A G T 3> S+ 0 0 51 -2,-0.4 4,-1.7 1,-0.1 -1,-0.2 0.807 78.6 172.5 31.2 52.0 40.1 21.1 -5.4 468 479 A L H <> + 0 0 15 -3,-0.6 4,-1.9 1,-0.2 5,-0.2 0.868 66.9 52.3 -55.1 -45.6 42.6 19.2 -3.4 469 480 A E H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.8 48.7 -62.4 -44.1 41.2 20.0 0.1 470 481 A L H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 111.0 51.3 -64.3 -36.9 37.6 18.9 -0.7 471 482 A R H X S+ 0 0 31 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.869 108.4 51.2 -68.5 -35.5 38.8 15.7 -2.1 472 483 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.922 110.8 48.9 -66.8 -40.5 40.9 15.0 1.0 473 484 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.928 110.7 50.5 -62.1 -43.9 37.8 15.7 3.0 474 485 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 12,-0.3 0.911 108.5 53.7 -59.4 -43.0 35.8 13.3 0.8 475 486 A H H >< S+ 0 0 30 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.929 109.6 45.9 -57.6 -50.4 38.5 10.7 1.3 476 487 A F H >< S+ 0 0 38 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.767 111.3 51.3 -68.2 -26.0 38.4 10.8 5.1 477 488 A M H >X S+ 0 0 2 -4,-1.7 3,-2.1 1,-0.2 4,-1.9 0.623 85.6 89.8 -88.1 -6.9 34.6 10.7 5.2 478 489 A A H < S- 0 0 29 -4,-1.9 3,-1.3 69,-0.1 -3,-0.2 0.296 98.1-120.2-123.8 6.6 29.6 7.4 3.9 482 493 A N T 3< S- 0 0 139 -4,-1.8 -4,-0.2 -5,-0.3 -3,-0.1 0.727 74.5 -54.0 60.8 25.2 31.1 4.7 1.6 483 494 A G T 3> S+ 0 0 15 -9,-0.2 4,-3.1 -6,-0.2 -1,-0.2 0.525 98.7 129.7 90.5 6.7 32.4 7.3 -0.9 484 495 A E H <> S+ 0 0 56 -3,-1.3 4,-2.1 2,-0.2 5,-0.2 0.918 76.8 48.6 -60.1 -44.9 29.1 9.2 -1.5 485 496 A Y H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 114.2 46.7 -61.7 -42.4 30.7 12.6 -0.9 486 497 A A H > S+ 0 0 6 -12,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.921 109.7 54.2 -64.7 -43.2 33.5 11.7 -3.2 487 498 A H H X>S+ 0 0 110 -4,-3.1 5,-0.6 1,-0.2 4,-0.5 0.869 109.1 49.1 -59.0 -37.6 31.1 10.3 -5.8 488 499 A E H >X5S+ 0 0 67 -4,-2.1 4,-0.6 3,-0.2 3,-0.5 0.886 105.3 56.8 -71.7 -38.2 29.3 13.7 -5.8 489 500 A I H 3<5S+ 0 0 31 -4,-1.9 5,-0.2 1,-0.2 -2,-0.2 0.929 117.4 32.2 -59.7 -47.9 32.4 15.8 -6.2 490 501 A L H 3<5S+ 0 0 62 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.403 136.9 22.2 -93.6 5.2 33.5 14.2 -9.4 491 502 A N H <<5S+ 0 0 104 -4,-0.5 -3,-0.2 -3,-0.5 -2,-0.2 0.590 122.3 29.4-131.9 -52.9 30.1 13.4 -10.8 492 503 A G S < - 0 0 51 1,-0.1 4,-1.6 -3,-0.0 3,-0.4 -0.846 36.4-176.0-129.3 95.9 27.5 19.1 -8.0 494 505 A I H > S+ 0 0 8 -2,-0.5 4,-1.9 -6,-0.3 5,-0.2 0.779 78.1 62.2 -59.9 -31.8 29.0 19.3 -4.5 495 506 A H H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 106.5 39.7 -68.4 -41.9 28.4 23.0 -4.1 496 507 A T H > S+ 0 0 52 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.864 112.0 61.4 -74.6 -30.8 24.6 23.0 -4.3 497 508 A K H X S+ 0 0 69 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.913 111.8 36.8 -56.7 -44.1 24.7 19.9 -2.2 498 509 A N H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.799 108.8 64.2 -78.7 -29.4 26.4 21.9 0.5 499 510 A Q H <>S+ 0 0 34 -4,-1.9 5,-1.3 1,-0.2 -2,-0.2 0.879 109.2 41.3 -59.9 -37.0 24.3 25.0 -0.3 500 511 A I H <5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.6 59.0 -77.5 -33.2 21.3 22.9 0.8 501 512 A A H <5S+ 0 0 4 -4,-1.1 46,-0.2 -5,-0.3 -2,-0.2 0.918 115.5 36.7 -61.1 -44.5 23.3 21.4 3.7 502 513 A A T <5S- 0 0 0 -4,-2.9 2,-0.7 45,-0.1 38,-0.1 -0.491 99.8-108.1 -97.7 173.3 23.8 24.9 5.0 503 514 A E T 5 + 0 0 119 -2,-0.2 -3,-0.1 37,-0.0 -4,-0.1 -0.439 62.6 150.9-102.8 60.2 21.1 27.6 4.8 504 515 A L < - 0 0 15 -5,-1.3 6,-0.1 -2,-0.7 -2,-0.1 -0.753 41.6-152.4 -97.1 137.6 22.8 29.6 2.1 505 516 A P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.736 79.9 44.8 -75.9 -28.0 20.9 31.8 -0.5 506 517 A T S >> S- 0 0 57 1,-0.1 4,-0.9 -7,-0.0 3,-0.6 -0.954 71.1-136.5-125.8 142.9 23.5 31.6 -3.3 507 518 A R H >> S+ 0 0 81 -2,-0.4 4,-1.6 1,-0.3 3,-1.5 0.921 109.9 56.1 -57.5 -44.7 25.6 28.7 -4.6 508 519 A D H 3> S+ 0 0 106 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.814 97.2 63.8 -57.6 -30.9 28.6 30.9 -4.7 509 520 A N H <> S+ 0 0 28 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.858 103.3 49.7 -60.6 -33.0 28.0 31.5 -1.0 510 521 A A H S+ 0 0 12 -4,-1.6 5,-3.8 1,-0.2 4,-0.3 0.843 110.7 54.1 -74.2 -32.3 36.5 28.8 4.7 517 528 A F H ><5S+ 0 0 26 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.867 102.7 57.9 -67.3 -39.4 35.4 25.6 6.5 518 529 A L H 3<5S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 76,-0.2 0.836 113.2 35.9 -63.5 -38.1 38.4 23.7 5.1 519 530 A Y T 3<5S- 0 0 141 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.378 120.1-107.1 -97.1 5.2 41.1 25.9 6.6 520 531 A G T < 5 - 0 0 44 -3,-0.6 -3,-0.2 -4,-0.3 -2,-0.1 0.930 44.6-164.6 73.9 48.9 39.0 26.5 9.7 521 532 A A < - 0 0 13 -5,-3.8 -1,-0.1 -8,-0.2 2,-0.1 -0.190 27.2 -94.1 -62.1 156.0 37.8 30.1 9.2 522 533 A G > - 0 0 45 1,-0.1 4,-1.6 4,-0.0 5,-0.2 -0.364 29.3-111.0 -74.3 152.3 36.4 32.0 12.2 523 534 A D H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 11,-0.6 0.820 115.7 59.3 -48.2 -36.8 32.7 32.2 13.0 524 535 A E H >> S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 3,-1.1 0.983 103.3 46.2 -58.3 -64.2 32.7 35.9 12.0 525 536 A K H 34 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.800 110.7 57.0 -50.0 -30.9 34.0 35.5 8.4 526 537 A I H >X S+ 0 0 15 -4,-1.6 3,-1.0 1,-0.2 4,-0.5 0.884 107.4 46.9 -69.2 -38.0 31.3 32.8 8.1 527 538 A G H XX S+ 0 0 0 -4,-1.7 3,-1.3 -3,-1.1 4,-0.7 0.871 100.3 68.2 -70.1 -35.5 28.7 35.2 9.1 528 539 A Q H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.465 93.1 59.7 -64.7 -1.8 30.0 37.9 6.7 529 540 A I H <4 S+ 0 0 32 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.742 107.5 43.0 -95.7 -28.8 28.9 35.7 3.7 530 541 A V H << S- 0 0 54 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.461 121.6-108.2 -91.6 -4.0 25.2 35.8 4.7 531 542 A G S < S+ 0 0 64 -4,-0.7 -3,-0.1 1,-0.3 -4,-0.1 -0.219 95.6 92.3 103.7 -40.5 25.6 39.4 5.5 532 543 A A - 0 0 53 -5,-0.3 -1,-0.3 -6,-0.1 2,-0.2 0.464 68.1-137.4 -61.8-149.3 25.4 38.8 9.3 533 544 A G - 0 0 42 -6,-0.1 2,-0.5 -5,-0.1 -9,-0.2 -0.684 60.6 -18.5 177.1 126.0 28.4 38.3 11.4 534 545 A K S > S+ 0 0 63 -11,-0.6 4,-0.5 -10,-0.5 -10,-0.2 0.270 128.4 61.5 58.8 -16.1 29.7 36.0 14.2 535 546 A E H > S+ 0 0 143 -2,-0.5 4,-1.6 2,-0.1 -1,-0.2 0.843 108.3 33.8-100.4 -59.9 26.0 35.1 14.9 536 547 A R H > S+ 0 0 22 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.747 113.9 71.8 -66.2 -20.3 24.8 33.5 11.7 537 548 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.990 101.8 33.9 -56.3 -72.9 28.4 32.3 11.7 538 549 A K H X S+ 0 0 58 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.850 118.0 58.8 -52.2 -36.8 28.2 29.7 14.5 539 550 A E H >X S+ 0 0 51 -4,-1.6 4,-2.1 2,-0.2 3,-0.6 0.959 105.3 46.4 -58.6 -54.7 24.6 29.0 13.4 540 551 A L H 3X S+ 0 0 17 -4,-3.1 4,-3.4 1,-0.2 5,-0.3 0.937 108.0 55.0 -54.2 -53.5 25.6 28.0 9.9 541 552 A K H 3X S+ 0 0 53 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.811 111.8 46.7 -51.8 -31.6 28.4 25.7 10.9 542 553 A K H < S+ 0 0 39 -4,-1.4 3,-1.8 -5,-0.3 7,-0.3 0.873 106.9 60.3 -65.6 -39.6 27.1 19.6 10.1 546 557 A E H 3< S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.6 40.4 -60.0 -27.9 23.6 18.5 11.1 547 558 A N T 3< S+ 0 0 88 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.221 114.7 54.7-105.8 13.7 22.8 17.9 7.4 548 559 A T X> + 0 0 5 -3,-1.8 3,-1.5 -47,-0.1 4,-1.2 -0.526 62.9 169.4-141.8 63.7 26.2 16.4 6.7 549 560 A P H 3> S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.821 70.9 66.7 -48.8 -37.8 26.4 13.5 9.3 550 561 A A H 3> S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 101.7 47.6 -55.8 -37.0 29.6 12.0 7.7 551 562 A I H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.867 111.2 50.5 -72.2 -36.2 31.6 15.1 8.6 552 563 A A H X S+ 0 0 31 -4,-1.2 4,-1.9 -7,-0.3 -2,-0.2 0.855 110.6 49.4 -69.8 -34.7 30.3 15.1 12.2 553 564 A A H X S+ 0 0 29 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.944 111.3 50.2 -68.5 -45.0 31.2 11.4 12.5 554 565 A L H X S+ 0 0 6 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.937 111.0 48.1 -57.2 -48.0 34.7 12.2 11.1 555 566 A R H X S+ 0 0 75 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.873 111.2 51.9 -62.8 -35.3 35.2 15.0 13.6 556 567 A E H X S+ 0 0 137 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.866 109.6 47.3 -70.5 -36.2 34.0 12.8 16.5 557 568 A S H X S+ 0 0 31 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.848 110.5 51.9 -75.1 -32.3 36.4 9.9 15.7 558 569 A I H X S+ 0 0 15 -4,-1.9 4,-1.3 -5,-0.2 3,-0.2 0.913 110.0 50.1 -65.6 -42.1 39.4 12.2 15.3 559 570 A Q H X S+ 0 0 88 -4,-1.7 4,-3.4 1,-0.2 -1,-0.2 0.825 106.0 56.0 -64.7 -32.9 38.6 13.7 18.7 560 571 A Q H < S+ 0 0 52 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.827 104.3 54.8 -68.1 -32.5 38.4 10.2 20.2 561 572 A T H < S+ 0 0 49 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.854 120.8 28.6 -67.5 -36.7 41.9 9.6 18.9 562 573 A L H < S+ 0 0 0 -4,-1.3 6,-4.1 6,-0.1 7,-1.2 0.870 117.7 49.7 -94.3 -41.9 43.2 12.7 20.8 563 574 A V B < T 567 0N 37 -4,-3.4 4,-0.2 4,-0.3 -1,-0.1 -0.827 360.0 360.0-108.6 140.5 41.0 13.2 23.8 564 575 A E 0 0 142 2,-1.2 -3,-0.0 -2,-0.4 -4,-0.0 -0.759 360.0 360.0-111.6 360.0 39.9 10.7 26.5 565 ! 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 0.0 566 587 A K 0 0 197 0, 0.0 -2,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 110.4 43.3 15.6 29.0 567 588 A W B -T 563 0N 88 -4,-0.2 -4,-0.3 1,-0.1 3,-0.2 -0.720 360.0-166.7-101.6 148.3 45.0 14.1 26.0 568 589 A K S S- 0 0 118 -6,-4.1 2,-0.3 1,-0.5 -5,-0.2 0.691 91.4 -13.8 -95.6 -29.4 45.4 10.5 24.9 569 590 A R - 0 0 87 -7,-1.2 -1,-0.5 0, 0.0 0, 0.0 -0.868 60.7-141.5-170.7 135.5 48.0 11.7 22.3 570 591 A R S S+ 0 0 111 -2,-0.3 12,-2.3 -3,-0.2 2,-0.3 0.139 76.1 63.1 -98.1 25.8 48.7 15.2 21.1 571 592 A W E -U 581 0O 61 10,-0.2 2,-0.3 -10,-0.1 10,-0.2 -0.980 64.9-137.1-145.8 157.7 49.3 14.4 17.4 572 593 A I E -U 580 0O 14 8,-2.4 8,-3.4 -2,-0.3 2,-0.5 -0.846 31.5-113.1-110.2 148.5 47.6 13.0 14.3 573 594 A K E -U 579 0O 133 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.714 30.7-141.3 -85.1 123.1 49.3 10.5 12.0 574 595 A G > - 0 0 9 4,-3.2 3,-2.4 -2,-0.5 -367,-0.1 -0.255 32.0 -95.2 -76.7 170.7 50.0 12.0 8.5 575 596 A L T 3 S+ 0 0 40 1,-0.3 -1,-0.1 2,-0.1 21,-0.1 0.783 128.7 47.1 -55.8 -29.0 49.6 10.0 5.3 576 597 A D T 3 S- 0 0 5 2,-0.1 -369,-1.0 -370,-0.1 -1,-0.3 0.282 124.4-102.0 -96.2 7.8 53.3 9.2 5.4 577 598 A G S < S+ 0 0 12 -3,-2.4 -2,-0.1 1,-0.3 -372,-0.0 0.285 75.3 138.0 91.9 -11.4 53.2 8.2 9.1 578 599 A R - 0 0 5 -5,-0.1 -4,-3.2 1,-0.1 2,-0.5 -0.255 59.4-108.6 -67.2 157.9 54.7 11.3 10.6 579 600 A K E -U 573 0O 68 -6,-0.2 2,-0.7 -482,-0.1 -6,-0.2 -0.753 28.0-158.5 -86.9 129.9 53.2 12.8 13.7 580 601 A V E -U 572 0O 2 -8,-3.4 -8,-2.4 -2,-0.5 -164,-0.1 -0.925 19.3-129.2-112.8 107.9 51.4 16.1 13.1 581 602 A H E -U 571 0O 56 -2,-0.7 2,-0.5 -10,-0.2 -10,-0.2 -0.256 17.6-153.2 -55.3 135.5 51.1 18.1 16.2 582 603 A V - 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