==== 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 1X9W . 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) . 35534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 70.8 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 11.1 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 . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 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 2 3 2 2 0 2 0 2 2 0 1 0 0 1 0 1 1 2 0 1 1 0 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 . 4 1 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 19 0, 0.0 25,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.5 79.0 6.2 7.7 2 2 A I E -Ab 25 56A 3 53,-2.6 55,-3.0 23,-0.2 2,-0.5 -0.914 360.0-145.2-126.2 152.3 80.9 9.4 8.0 3 3 A V E +Ab 24 57A 0 21,-2.6 21,-2.7 -2,-0.3 2,-0.3 -0.962 30.2 171.5-115.4 132.0 80.0 12.8 9.4 4 4 A S E +A 23 0A 0 53,-3.3 55,-0.4 -2,-0.5 2,-0.3 -0.913 20.3 178.7-141.2 169.0 81.5 15.9 7.7 5 5 A D E -A 22 0A 16 17,-1.3 17,-2.0 -2,-0.3 2,-0.3 -0.953 13.5-152.3-163.1 147.5 81.5 19.7 7.4 6 6 A I E -A 21 0A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.891 8.1-147.3-129.2 160.3 83.4 22.2 5.3 7 7 A E E +A 20 0A 20 13,-2.8 12,-3.0 -2,-0.3 13,-1.8 -0.994 27.3 167.9-124.1 127.3 84.5 25.8 5.6 8 8 A A E -A 18 0A 6 -2,-0.4 10,-0.2 10,-0.2 148,-0.1 -0.864 45.7 -99.6-134.3 170.2 84.7 27.9 2.4 9 9 A N S S- 0 0 33 8,-2.1 2,-0.3 -2,-0.3 145,-0.1 0.448 89.4 -5.4 -75.3 -1.4 85.1 31.6 1.6 10 10 A A S S- 0 0 29 7,-0.2 5,-0.2 145,-0.0 -2,-0.1 -0.994 84.1 -61.5-173.6 175.3 81.5 32.5 0.9 11 11 A L >> - 0 0 106 -2,-0.3 3,-1.6 3,-0.1 4,-0.8 -0.282 65.9 -93.9 -65.7 161.9 77.9 31.6 0.4 12 12 A L G >4 S+ 0 0 38 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.854 120.5 65.3 -44.9 -48.6 77.1 29.2 -2.5 13 13 A E G 34 S+ 0 0 122 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.795 122.4 14.8 -47.9 -36.4 76.4 32.0 -5.0 14 14 A S G <4 S+ 0 0 73 -3,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.201 84.5 138.8-131.0 20.6 80.0 33.3 -4.9 15 15 A V << + 0 0 0 -3,-1.0 3,-0.1 -4,-0.8 -4,-0.0 -0.445 10.4 158.9 -69.6 136.9 82.1 30.6 -3.2 16 16 A T + 0 0 70 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.473 54.5 53.8-132.3 -17.2 85.5 30.2 -4.9 17 17 A K - 0 0 113 58,-0.0 -8,-2.1 59,-0.0 2,-0.5 -0.981 60.4-144.6-136.1 136.6 87.8 28.6 -2.3 18 18 A F E -A 8 0A 3 -2,-0.4 -10,-0.2 -10,-0.2 21,-0.1 -0.759 19.5-179.5 -85.1 127.9 87.7 25.5 -0.0 19 19 A H E - 0 0 7 -12,-3.0 2,-0.3 -2,-0.5 -11,-0.2 0.862 57.0 -35.4 -95.7 -53.2 89.4 26.5 3.2 20 20 A C E -A 7 0A 0 -13,-1.8 -13,-2.8 15,-0.2 -1,-0.4 -0.982 48.5-157.3-162.4 168.6 89.1 23.2 5.2 21 21 A G E -AC 6 34A 0 13,-2.1 13,-2.7 -2,-0.3 2,-0.4 -0.988 6.2-152.1-151.9 153.9 87.1 20.2 5.9 22 22 A V E -AC 5 33A 0 -17,-2.0 -17,-1.3 -2,-0.3 2,-0.4 -0.982 6.6-166.5-131.6 143.9 86.7 17.6 8.6 23 23 A I E -AC 4 32A 9 9,-2.3 9,-2.2 -2,-0.4 2,-0.6 -0.995 6.1-165.8-132.4 129.4 85.6 13.9 8.5 24 24 A Y E -AC 3 31A 23 -21,-2.7 -21,-2.6 -2,-0.4 2,-0.6 -0.974 14.7-157.4-112.2 120.9 84.6 11.7 11.3 25 25 A D E >>> -AC 2 30A 27 5,-2.1 4,-2.4 -2,-0.6 5,-1.0 -0.889 11.0-156.7-103.9 120.2 84.5 8.1 10.2 26 26 A Y T 345S+ 0 0 37 -25,-2.3 -1,-0.1 -2,-0.6 -24,-0.1 0.814 93.3 59.6 -62.4 -30.5 82.4 5.7 12.3 27 27 A S T 345S+ 0 0 97 -26,-0.3 -1,-0.2 1,-0.2 -25,-0.1 0.752 121.2 25.0 -72.2 -22.4 84.4 2.7 11.1 28 28 A T T <45S- 0 0 77 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.515 96.5-135.3-113.0 -14.7 87.6 4.1 12.6 29 29 A A T <5 + 0 0 61 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.746 62.6 130.7 64.4 24.1 86.0 6.3 15.2 30 30 A E E < -C 25 0A 125 -5,-1.0 -5,-2.1 2,-0.0 2,-0.4 -0.813 56.0-138.2-119.2 155.3 88.4 9.1 14.1 31 31 A Y E -C 24 0A 93 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.863 19.8-171.4-102.9 133.7 88.5 12.7 13.1 32 32 A V E -C 23 0A 68 -9,-2.2 -9,-2.3 -2,-0.4 2,-0.3 -0.996 9.2-150.7-129.8 128.2 90.6 13.8 10.2 33 33 A S E -C 22 0A 41 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.725 4.8-160.4 -96.9 145.2 91.2 17.4 9.3 34 34 A Y E -C 21 0A 30 -13,-2.7 -13,-2.1 -2,-0.3 -2,-0.0 -0.993 7.7-160.5-128.0 123.4 91.9 18.6 5.8 35 35 A R > - 0 0 95 -2,-0.4 3,-2.9 -15,-0.2 4,-0.3 -0.363 44.7 -76.7 -93.9 176.7 93.5 22.0 5.1 36 36 A P G > S+ 0 0 55 0, 0.0 3,-1.1 0, 0.0 -18,-0.1 0.833 131.7 47.7 -43.3 -44.2 93.5 24.1 1.9 37 37 A S G 3 S+ 0 0 116 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.447 103.4 65.2 -80.3 3.4 96.0 21.9 0.1 38 38 A D G <> + 0 0 58 -3,-2.9 4,-2.5 1,-0.1 3,-0.3 0.301 66.4 110.3-103.9 6.9 94.2 18.7 1.1 39 39 A F H <> S+ 0 0 5 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 0.917 76.6 49.7 -48.6 -54.1 91.1 19.5 -0.9 40 40 A G H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 112.5 48.7 -52.8 -42.6 91.7 16.8 -3.5 41 41 A A H > S+ 0 0 44 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.864 107.4 55.5 -65.0 -38.8 92.2 14.3 -0.6 42 42 A Y H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.943 109.5 46.2 -59.9 -48.9 89.0 15.5 1.1 43 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.886 109.0 56.0 -61.3 -39.4 87.0 14.8 -2.0 44 44 A D H X S+ 0 0 84 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.903 104.8 52.4 -61.3 -40.7 88.6 11.4 -2.4 45 45 A A H X S+ 0 0 28 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.856 109.5 48.8 -66.1 -33.5 87.5 10.4 1.1 46 46 A L H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.901 112.3 48.0 -72.0 -40.5 83.9 11.3 0.4 47 47 A E H X S+ 0 0 77 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.832 106.8 57.2 -69.5 -28.9 83.9 9.4 -2.9 48 48 A A H X S+ 0 0 45 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.887 105.5 50.6 -67.5 -37.4 85.5 6.4 -1.2 49 49 A E H <>S+ 0 0 3 -4,-1.4 5,-2.8 1,-0.2 -1,-0.2 0.865 110.5 50.5 -66.7 -34.3 82.5 6.3 1.3 50 50 A V H ><5S+ 0 0 36 -4,-1.5 3,-1.7 3,-0.2 -2,-0.2 0.900 105.7 55.1 -69.1 -40.6 80.2 6.4 -1.8 51 51 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.3 53.3 -61.2 -35.0 82.1 3.5 -3.4 52 52 A R T 3<5S- 0 0 143 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.480 119.1-113.1 -78.3 -0.9 81.4 1.4 -0.3 53 53 A G T < 5S+ 0 0 19 -3,-1.7 144,-2.1 -4,-0.1 145,-0.3 0.854 71.9 144.4 70.9 33.4 77.7 2.2 -0.6 54 54 A G < - 0 0 6 -5,-2.8 2,-0.4 142,-0.2 143,-0.1 0.009 48.0-104.1 -90.8-162.2 78.0 4.3 2.6 55 55 A L - 0 0 0 140,-0.1 -53,-2.6 138,-0.1 2,-0.5 -0.988 15.1-154.5-133.0 138.3 76.5 7.4 3.9 56 56 A I E -bd 2 88A 0 31,-3.4 33,-2.8 -2,-0.4 2,-0.5 -0.955 14.7-153.6-111.9 127.0 77.8 10.9 4.3 57 57 A V E +bd 3 89A 0 -55,-3.0 -53,-3.3 -2,-0.5 2,-0.3 -0.876 20.3 165.2-105.6 127.0 76.3 13.1 7.0 58 58 A F E - d 0 90A 1 31,-2.7 33,-2.0 -2,-0.5 2,-0.7 -0.878 37.1-126.4-129.2 160.6 76.2 16.9 6.7 59 59 A H S S- 0 0 7 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.957 102.2 -9.3-109.5 110.3 74.2 19.5 8.6 60 60 A N S >>S+ 0 0 24 -2,-0.7 4,-1.5 4,-0.1 5,-0.5 0.782 95.8 137.9 71.3 29.9 72.6 21.6 5.9 61 61 A G T 4> + 0 0 0 3,-0.2 5,-2.5 2,-0.2 7,-0.2 0.824 57.5 66.0 -75.3 -31.5 74.7 19.8 3.3 62 62 A H T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.897 113.8 30.5 -57.3 -43.0 71.8 19.4 0.8 63 63 A K T 45S+ 0 0 37 3,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.752 139.8 7.6 -88.3 -25.6 71.6 23.2 0.3 64 64 A Y T X5S+ 0 0 42 -4,-1.5 4,-2.9 3,-0.1 5,-0.3 0.731 119.3 42.9-120.2 -77.0 75.3 24.1 0.9 65 65 A D H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 116.7 57.8 -68.3 -31.3 76.5 21.8 -4.3 68 68 A A H X S+ 0 0 0 -4,-2.9 4,-3.5 -7,-0.2 -2,-0.2 0.918 105.2 49.0 -63.1 -43.1 79.4 23.9 -3.0 69 69 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.865 109.9 51.7 -64.5 -37.7 81.9 21.0 -3.3 70 70 A T H X S+ 0 0 38 -4,-1.5 4,-1.8 2,-0.2 11,-0.2 0.960 115.3 42.1 -61.8 -50.8 80.7 20.3 -6.9 71 71 A K H X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.953 117.6 46.4 -60.1 -51.4 81.3 23.9 -7.8 72 72 A L H X>S+ 0 0 0 -4,-3.5 4,-3.0 1,-0.2 5,-0.5 0.875 108.8 54.0 -62.5 -39.6 84.5 24.2 -5.9 73 73 A A H X5S+ 0 0 0 -4,-2.9 6,-2.3 -5,-0.2 4,-1.6 0.902 111.8 46.2 -62.7 -39.9 85.9 20.9 -7.3 74 74 A K H X5S+ 0 0 93 -4,-1.8 4,-1.1 4,-0.3 -2,-0.2 0.954 118.4 40.9 -66.1 -50.1 85.3 22.2 -10.8 75 75 A L H <5S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.935 126.1 30.4 -65.7 -50.1 86.8 25.6 -10.2 76 76 A Q H <5S+ 0 0 69 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.836 137.3 17.8 -82.1 -33.7 89.8 24.7 -8.1 77 77 A L H < - 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.414 15.2-123.8 -69.3 144.7 74.7 11.0 -5.2 85 85 A R G > S+ 0 0 44 1,-0.3 3,-1.9 2,-0.2 -2,-0.0 0.902 108.2 59.2 -49.9 -48.2 71.5 12.0 -3.4 86 86 A E G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.607 101.3 54.6 -62.1 -14.2 71.0 8.5 -1.9 87 87 A N G < S+ 0 0 5 -3,-1.7 -31,-3.4 -32,-0.1 2,-0.5 0.381 94.0 90.0 -99.3 3.8 74.4 8.6 -0.1 88 88 A C E < -d 56 0A 1 -3,-1.9 2,-0.4 -4,-0.3 -31,-0.2 -0.879 48.7-174.9-113.9 133.5 73.6 11.9 1.7 89 89 A I E -d 57 0A 0 -33,-2.8 -31,-2.7 -2,-0.5 2,-0.5 -0.921 8.8-159.7-117.4 142.6 72.0 12.6 5.1 90 90 A D E > -d 58 0A 2 -2,-0.4 4,-2.4 -33,-0.2 -31,-0.2 -0.944 8.5-162.6-127.5 110.8 71.3 16.1 6.4 91 91 A T H > S+ 0 0 0 -33,-2.0 4,-2.5 -2,-0.5 -32,-0.2 0.761 93.8 56.9 -63.5 -24.9 70.8 16.6 10.2 92 92 A L H > S+ 0 0 12 -34,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.945 109.3 44.9 -69.4 -46.6 69.1 19.9 9.6 93 93 A V H > S+ 0 0 15 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.888 115.2 49.4 -60.1 -40.6 66.5 18.2 7.3 94 94 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-0.4 0.890 110.3 50.3 -66.1 -41.0 66.2 15.5 10.0 95 95 A S H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.874 107.3 53.6 -65.2 -39.2 65.8 18.1 12.8 96 96 A R H < S+ 0 0 16 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.728 113.6 43.5 -70.8 -19.5 63.1 19.9 10.9 97 97 A L H >< S+ 0 0 2 -4,-0.9 3,-0.8 -3,-0.4 -2,-0.2 0.905 120.6 37.2 -88.2 -48.4 61.1 16.6 10.5 98 98 A I H 3< S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.795 127.0 36.4 -74.8 -30.2 61.6 15.2 14.0 99 99 A H T >< S+ 0 0 45 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.3 -0.355 74.1 144.8-115.9 47.1 61.3 18.6 15.8 100 100 A S T < + 0 0 15 -3,-0.8 309,-0.1 1,-0.3 -1,-0.1 0.497 65.6 62.6 -66.9 -3.9 58.7 20.0 13.4 101 101 A N T 3 S+ 0 0 80 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.567 95.6 74.8 -95.1 -11.7 57.0 21.9 16.3 102 102 A L S < S- 0 0 53 -3,-1.9 2,-0.1 15,-0.1 17,-0.1 -0.763 73.7-135.7-105.1 147.7 60.1 24.0 16.9 103 103 A K - 0 0 95 15,-0.5 17,-0.4 13,-0.4 2,-0.3 -0.389 18.5-162.4 -87.9 171.5 61.5 26.9 14.9 104 104 A D - 0 0 41 -2,-0.1 20,-0.1 15,-0.1 15,-0.0 -0.946 32.3-110.8-149.0 163.9 65.2 27.3 14.0 105 105 A T >> - 0 0 7 -2,-0.3 5,-2.2 18,-0.1 4,-0.9 0.393 48.1-119.6 -81.0 4.7 67.3 30.2 12.8 106 106 A D T >45S- 0 0 14 1,-0.2 3,-0.7 2,-0.2 -1,-0.0 0.930 77.8 -46.5 55.7 47.7 67.7 28.7 9.4 107 107 A M T 345S- 0 0 60 1,-0.2 -1,-0.2 16,-0.1 23,-0.1 0.834 112.9 -47.2 64.9 38.1 71.5 28.6 9.9 108 108 A G T 345S+ 0 0 41 2,-0.2 -1,-0.2 22,-0.0 -2,-0.2 0.482 111.9 109.8 88.0 1.2 71.9 32.1 11.3 109 109 A L T <<5S+ 0 0 106 -4,-0.9 2,-0.4 -3,-0.7 -3,-0.2 0.701 79.5 50.6 -79.5 -20.5 69.8 33.9 8.6 110 110 A L S > - 0 0 218 -2,-0.4 3,-1.0 1,-0.1 4,-0.6 -0.592 16.9-138.8 -76.0 125.8 67.9 36.1 14.6 112 112 A S G >4 S+ 0 0 38 -2,-0.4 3,-1.2 1,-0.2 -1,-0.1 0.834 95.3 67.7 -49.4 -40.8 67.2 33.6 17.5 113 113 A G G 34 S+ 0 0 72 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.824 98.8 46.6 -52.6 -41.8 65.6 36.4 19.6 114 114 A K G <4 S+ 0 0 89 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.571 90.4 102.4 -81.1 -9.3 62.5 37.0 17.5 115 115 A L S << S- 0 0 34 -3,-1.2 2,-0.1 -4,-0.6 -10,-0.1 -0.549 71.1-129.8 -76.7 135.2 61.8 33.3 17.1 116 116 A P + 0 0 86 0, 0.0 -13,-0.4 0, 0.0 -1,-0.1 -0.452 64.1 9.7 -82.3 161.4 59.0 32.0 19.4 117 117 A G S S- 0 0 73 -2,-0.1 2,-0.1 -15,-0.1 -15,-0.1 -0.036 99.8 -40.5 69.7-172.0 59.3 28.9 21.6 118 124 A A - 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0 0 23 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.488 32.1-158.6 -71.2 129.9 33.6 58.7 12.7 333 352 A V - 0 0 110 -2,-0.3 -1,-0.1 -6,-0.0 -5,-0.0 -0.906 22.6-125.1-111.3 104.2 32.7 56.7 15.8 334 353 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 11,-0.1 -0.190 23.2-171.9 -48.9 128.9 34.9 53.5 15.9 335 354 A T + 0 0 135 1,-0.2 2,-0.4 9,-0.2 14,-0.0 0.743 69.1 35.3 -95.7 -30.6 32.7 50.4 16.3 336 355 A K - 0 0 105 8,-0.2 8,-2.8 0, 0.0 -1,-0.2 -0.992 66.8-168.9-132.7 133.7 35.5 47.8 16.9 337 356 A Y B -M 343 0I 127 -2,-0.4 2,-0.2 6,-0.3 5,-0.0 -0.712 19.0-119.5-117.0 166.8 38.8 48.1 18.8 338 357 A T > - 0 0 63 4,-3.5 2,-2.2 -2,-0.2 3,-1.7 -0.578 41.6 -91.9 -99.0 165.0 41.9 46.0 19.2 339 358 A D T 3 S+ 0 0 176 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 -0.473 118.1 52.0 -79.7 73.4 43.3 44.6 22.5 340 359 A K T 3 S- 0 0 98 -2,-2.2 -1,-0.2 2,-0.1 -3,-0.0 0.199 123.0 -86.3-178.2 -8.8 45.5 47.6 23.4 341 360 A G S < S+ 0 0 63 -3,-1.7 -2,-0.1 1,-0.3 0, 0.0 0.318 89.2 117.1 108.4 -8.4 43.1 50.5 23.1 342 361 A A - 0 0 50 -4,-0.1 -4,-3.5 1,-0.0 -1,-0.3 -0.726 63.3-120.0 -96.8 143.5 43.3 51.4 19.4 343 362 A P B -M 337 0I 17 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.492 37.5 -97.7 -77.2 149.2 40.3 51.2 17.0 344 363 A V - 0 0 20 -8,-2.8 2,-0.3 -2,-0.1 -8,-0.2 -0.519 40.1-179.3 -70.9 127.6 40.6 48.8 14.1 345 364 A V + 0 0 11 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.626 27.6 131.1-128.0 71.6 41.6 50.7 10.9 346 365 A D S > S- 0 0 59 -2,-0.3 4,-2.9 1,-0.0 5,-0.3 -0.726 73.7 -89.7-116.9 171.3 41.7 48.2 8.0 347 366 A D H > S+ 0 0 85 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.806 124.2 54.7 -48.1 -35.6 40.3 48.1 4.5 348 367 A E H > S+ 0 0 151 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.962 113.1 38.3 -67.1 -52.6 37.1 46.5 5.8 349 368 A V H >> S+ 0 0 23 1,-0.2 3,-1.8 -3,-0.2 4,-0.9 0.954 114.5 55.4 -62.4 -48.5 36.3 49.1 8.5 350 369 A L H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.834 102.0 59.0 -52.3 -34.8 37.4 51.9 6.2 351 370 A E H 3< S+ 0 0 96 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.791 110.9 41.7 -66.2 -26.9 35.0 50.6 3.6 352 371 A G H << S+ 0 0 50 -3,-1.8 -1,-0.2 -4,-0.8 -2,-0.2 0.466 84.8 114.6-101.0 -2.7 32.2 51.1 6.1 353 372 A V << - 0 0 2 -4,-0.9 2,-0.4 -3,-0.6 11,-0.0 -0.436 44.8-169.5 -67.7 142.6 33.2 54.5 7.6 354 373 A R + 0 0 157 -2,-0.1 2,-0.3 -23,-0.1 7,-0.0 -0.930 8.4 173.8-140.0 111.6 30.7 57.2 6.7 355 374 A V - 0 0 15 -2,-0.4 -24,-0.1 2,-0.2 6,-0.1 -0.799 34.9-122.5-116.8 160.9 31.4 60.9 7.4 356 375 A D S S+ 0 0 153 -26,-0.7 -1,-0.1 -2,-0.3 5,-0.1 0.992 88.1 80.2 -63.0 -68.3 29.5 64.1 6.6 357 376 A D S > S- 0 0 62 -27,-0.3 4,-1.6 1,-0.2 -2,-0.2 -0.198 70.2-152.0 -45.7 117.3 32.1 66.1 4.6 358 377 A P H > S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.821 93.2 54.8 -65.3 -30.6 31.8 64.6 1.1 359 378 A E H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.941 110.8 43.0 -68.2 -47.7 35.4 65.5 0.4 360 379 A K H > S+ 0 0 56 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.795 111.8 57.3 -67.5 -26.9 36.8 63.7 3.4 361 380 A Q H >X S+ 0 0 45 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.911 109.2 43.8 -69.0 -40.8 34.3 60.9 2.6 362 381 A A H >X S+ 0 0 54 -4,-2.0 4,-1.1 1,-0.2 3,-0.6 0.786 102.5 68.1 -72.9 -27.4 36.0 60.6 -0.9 363 382 A A H 3X S+ 0 0 1 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.709 87.3 69.9 -64.6 -20.7 39.4 60.8 0.7 364 383 A I H S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-2.6 0.902 112.3 47.6 -65.6 -41.4 55.8 49.1 -3.7 378 397 A G H <>S+ 0 0 21 -4,-3.1 5,-1.5 4,-0.3 -1,-0.2 0.875 115.2 45.1 -68.2 -37.2 57.2 47.6 -0.6 379 398 A Q H <5S+ 0 0 30 -4,-1.9 8,-1.3 -5,-0.3 -2,-0.2 0.879 124.7 30.7 -75.8 -36.1 56.9 44.1 -1.9 380 399 A S H <5S- 0 0 0 -4,-2.3 8,-2.0 6,-0.3 -2,-0.2 0.789 138.4 -5.4 -94.6 -29.5 58.3 44.7 -5.3 381 400 A A T <5S+ 0 0 8 -4,-2.6 -3,-0.2 -5,-0.3 5,-0.1 0.705 126.2 35.7-133.9 -47.7 60.8 47.5 -4.8 382 401 A E T - 0 0 0 -3,-1.5 3,-1.1 -5,-0.1 4,-1.0 -0.202 55.2-119.3 -57.1 149.9 61.7 43.6 -2.3 387 406 A W H >> S+ 0 0 4 -8,-1.3 4,-1.3 1,-0.2 3,-0.7 0.888 111.6 59.8 -58.7 -40.3 62.0 41.6 -5.5 388 407 A L H 34 S+ 0 0 38 -8,-2.0 -1,-0.2 1,-0.2 -7,-0.1 0.680 103.9 50.1 -64.2 -19.1 64.3 44.3 -7.0 389 408 A R H <4 S+ 0 0 151 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.714 113.4 46.9 -89.5 -22.7 66.9 43.9 -4.2 390 409 A Y H << S+ 0 0 81 -4,-1.0 8,-0.5 -3,-0.7 2,-0.2 0.587 76.4 114.9 -95.2 -13.4 66.9 40.1 -4.7 391 410 A V B < -F 397 0B 36 -4,-1.3 6,-0.2 6,-0.1 2,-0.0 -0.428 57.7-146.9 -61.3 122.5 67.2 39.7 -8.5 392 411 A A > - 0 0 26 4,-2.7 3,-1.3 -2,-0.2 -1,-0.1 -0.163 27.8 -93.4 -82.5-179.3 70.7 38.1 -9.1 393 412 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.813 121.1 64.1 -64.9 -32.7 73.1 38.7 -12.1 394 413 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.314 119.5-107.8 -75.5 10.7 71.6 35.7 -14.0 395 414 A G S < S+ 0 0 27 -3,-1.3 -167,-2.8 1,-0.2 2,-0.3 0.724 84.4 110.5 71.6 22.4 68.3 37.6 -14.2 396 415 A K E -E 227 0B 15 -169,-0.3 -4,-2.7 -6,-0.1 2,-0.6 -0.929 65.6-129.5-131.0 152.6 66.6 35.3 -11.7 397 416 A I E -EF 226 391B 1 -171,-2.2 -171,-1.9 -2,-0.3 2,-1.0 -0.901 17.4-156.7-102.1 121.2 65.3 35.5 -8.1 398 417 A H - 0 0 45 -2,-0.6 -176,-0.1 -8,-0.5 -175,-0.0 -0.647 16.3-170.1 -99.4 75.1 66.6 32.7 -5.9 399 418 A G - 0 0 7 -2,-1.0 2,-0.2 -178,-0.1 16,-0.2 -0.307 19.9-120.9 -64.9 146.8 64.0 32.5 -3.2 400 419 A S E -N 414 0J 16 14,-2.6 14,-2.1 16,-0.2 2,-0.4 -0.576 23.7-162.1 -89.3 153.3 64.8 30.3 -0.2 401 420 A V E -N 413 0J 6 12,-0.2 12,-0.2 -2,-0.2 -179,-0.1 -0.994 17.2-155.3-138.9 128.2 62.6 27.4 0.8 402 421 A N E > -N 412 0J 22 10,-3.0 10,-2.3 -2,-0.4 3,-1.9 -0.896 20.7-153.4 -99.2 99.7 62.4 25.6 4.1 403 422 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.711 90.5 24.5 -46.9 -28.4 61.0 22.3 2.7 404 423 A N T 3 S+ 0 0 6 1,-0.1 7,-0.2 7,-0.1 6,-0.1 -0.250 80.6 134.8-135.9 47.8 59.4 21.4 6.1 405 424 A G < + 0 0 18 -3,-1.9 2,-0.3 4,-0.1 6,-0.2 0.719 56.9 64.3 -71.4 -26.0 59.0 24.8 7.7 406 425 A A S > S- 0 0 26 4,-2.6 3,-1.8 -4,-0.2 6,-0.1 -0.741 85.4-119.3-101.3 152.2 55.4 24.4 9.0 407 426 A V T 3 S+ 0 0 18 -2,-0.3 166,-0.2 1,-0.3 -1,-0.1 0.832 111.5 60.4 -54.2 -35.4 54.2 21.9 11.6 408 427 A T T 3 S- 0 0 6 164,-0.1 -1,-0.3 1,-0.1 183,-0.2 0.614 124.0 -99.2 -71.6 -11.3 51.8 20.3 9.1 409 428 A G S < S+ 0 0 0 -3,-1.8 -2,-0.1 1,-0.4 -4,-0.1 0.413 81.6 135.9 106.5 -1.4 54.7 19.3 6.8 410 429 A R - 0 0 57 -6,-0.1 -4,-2.6 1,-0.1 -1,-0.4 -0.390 54.9-116.3 -74.1 159.7 54.1 22.3 4.5 411 430 A A - 0 0 4 -7,-0.2 2,-0.4 -6,-0.2 -1,-0.1 -0.520 19.5-140.5 -93.0 162.0 57.1 24.2 3.3 412 431 A T E -N 402 0J 57 -10,-2.3 -10,-3.0 -2,-0.2 2,-0.4 -0.936 12.7-150.6-121.6 150.6 57.8 27.9 4.1 413 432 A H E +N 401 0J 22 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.949 22.8 153.4-124.5 143.4 59.3 30.4 1.6 414 433 A A E +N 400 0J 33 -14,-2.1 -14,-2.6 -2,-0.4 3,-0.1 -0.996 34.1 72.3-164.5 159.2 61.4 33.4 2.2 415 434 A F S S- 0 0 34 -2,-0.3 -1,-0.1 -16,-0.2 2,-0.1 0.935 139.5 -2.4 65.8 52.3 64.0 35.9 0.9 416 435 A P S S- 0 0 5 0, 0.0 2,-1.0 0, 0.0 -2,-0.3 0.713 97.5-125.4 -98.7 174.9 61.8 36.8 -0.7 417 436 A N > - 0 0 38 -4,-0.2 3,-1.1 1,-0.2 -3,-0.1 -0.651 23.2-175.5 -78.1 105.6 58.6 34.7 -0.2 418 437 A L T 3 S+ 0 0 14 -2,-1.0 3,-0.4 -18,-0.3 -1,-0.2 0.394 77.7 71.8 -81.5 4.5 57.7 33.6 -3.7 419 438 A A T 3 S+ 0 0 26 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.275 93.8 54.0 -99.2 7.5 54.5 32.1 -2.2 420 439 A Q < + 0 0 117 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.1 0.026 68.8 140.4-129.5 26.9 53.0 35.5 -1.6 421 440 A I - 0 0 9 -3,-0.4 8,-0.0 1,-0.1 -3,-0.0 -0.517 67.1 -94.5 -69.9 134.8 53.2 37.1 -5.0 422 441 A P - 0 0 12 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.247 44.5-118.7 -53.5 135.3 50.0 39.1 -5.7 423 442 A G > - 0 0 31 1,-0.1 3,-2.0 -3,-0.1 6,-0.2 -0.324 19.6-111.0 -74.5 158.2 47.4 37.0 -7.6 424 443 A V T 3 S+ 0 0 22 1,-0.3 6,-0.5 5,-0.2 5,-0.2 0.795 116.1 65.0 -58.3 -28.5 46.0 37.9 -11.0 425 444 A R T 3 S+ 0 0 207 4,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.364 94.9 74.0 -78.3 6.4 42.7 38.7 -9.3 426 445 A S S X S- 0 0 35 -3,-2.0 3,-2.5 1,-0.1 4,-0.4 -0.806 100.8 -71.4-118.6 161.6 44.2 41.5 -7.3 427 446 A P T 3 S- 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.253 119.4 -2.1 -53.1 127.6 45.2 45.1 -8.2 428 447 A Y T 3> S+ 0 0 55 -4,-0.1 4,-2.3 1,-0.1 5,-0.2 0.526 97.8 128.1 66.3 6.8 48.4 45.1 -10.3 429 448 A G H <> + 0 0 0 -3,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.907 65.2 52.6 -58.5 -45.9 48.4 41.3 -9.9 430 449 A E H > S+ 0 0 138 -6,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.911 111.7 45.4 -59.1 -44.5 48.8 40.6 -13.6 431 450 A Q H > S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.905 115.4 47.1 -66.2 -41.9 51.8 42.8 -14.0 432 451 A C H >< S+ 0 0 2 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.969 116.5 44.4 -60.9 -52.7 53.4 41.4 -10.9 433 452 A R H >< S+ 0 0 33 -4,-3.2 3,-1.5 1,-0.2 238,-0.7 0.850 107.8 58.0 -60.1 -40.9 52.7 37.8 -11.9 434 453 A A H 3< S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 94.7 66.9 -65.3 -22.4 53.8 38.4 -15.5 435 454 A A T << S+ 0 0 1 -4,-1.0 -206,-2.4 -3,-0.8 2,-0.7 0.600 91.7 67.7 -75.9 -12.0 57.2 39.5 -14.3 436 455 A F B < S+G 228 0C 0 -3,-1.5 235,-3.2 -4,-0.3 2,-0.3 -0.926 77.6 119.9-108.7 109.4 57.9 35.9 -13.1 437 456 A G S > S- 0 0 0 -210,-1.9 3,-1.5 -2,-0.7 233,-0.2 -0.965 71.6-117.4-171.0 153.0 58.2 33.6 -16.0 438 457 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 12,-1.3 0.771 109.0 70.2 -59.9 -27.5 60.1 31.1 -18.2 439 458 A E G 3 S+ 0 0 66 230,-2.6 -1,-0.3 1,-0.3 231,-0.1 0.814 88.8 63.3 -61.8 -28.9 59.9 33.6 -21.1 440 459 A H G < S+ 0 0 49 -3,-1.5 2,-0.5 229,-0.4 -1,-0.3 0.443 90.6 79.4 -76.7 0.5 62.3 35.9 -19.2 441 460 A H S < S- 0 0 17 -3,-1.9 9,-1.8 9,-0.2 2,-0.4 -0.953 71.7-153.3-109.5 126.6 65.0 33.2 -19.5 442 461 A L B -O 449 0K 106 -2,-0.5 6,-0.1 7,-0.2 5,-0.1 -0.837 31.5 -99.8-100.0 132.8 66.8 33.0 -22.8 443 462 A D > - 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Q 0 663L 3 168,-2.7 2,-0.5 -2,-0.3 3,-0.4 -0.493 42.7-115.8 -70.5 141.6 46.4 19.8 -7.7 458 477 A S S S- 0 0 16 204,-2.5 204,-0.4 1,-0.2 5,-0.2 -0.724 78.3 -31.1 -86.6 124.7 42.7 19.9 -8.2 459 478 A G S > S+ 0 0 31 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 0.802 79.7 169.6 36.8 43.9 40.6 20.7 -5.1 460 479 A L H > + 0 0 11 -3,-0.4 4,-1.8 1,-0.2 5,-0.2 0.879 68.2 53.3 -50.4 -46.8 43.2 18.9 -3.0 461 480 A E H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 109.9 46.5 -59.7 -43.9 41.8 20.1 0.3 462 481 A L H > S+ 0 0 4 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.850 112.0 51.4 -68.3 -32.6 38.2 18.8 -0.4 463 482 A R H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.788 106.4 54.0 -74.2 -27.5 39.6 15.5 -1.7 464 483 A C H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.876 110.9 47.2 -72.2 -34.6 41.6 15.0 1.5 465 484 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.958 111.0 50.6 -68.2 -48.9 38.4 15.5 3.4 466 485 A A H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 12,-0.4 0.866 109.5 53.2 -55.3 -39.5 36.5 13.1 1.2 467 486 A H H >< S+ 0 0 30 -4,-2.1 3,-1.0 1,-0.2 4,-0.4 0.945 109.8 44.9 -61.6 -52.6 39.3 10.6 1.7 468 487 A F H 3< S+ 0 0 42 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.684 113.3 51.0 -68.3 -19.8 39.2 10.7 5.5 469 488 A M H >X S+ 0 0 2 -4,-1.6 4,-2.8 1,-0.2 3,-1.7 0.540 85.1 86.8 -95.5 -4.0 35.4 10.5 5.7 470 489 A A H < S- 0 0 17 -4,-2.8 3,-1.4 -7,-0.2 -3,-0.2 0.301 100.7-121.6-109.6 7.7 30.4 7.4 4.3 474 493 A N T 3< S- 0 0 136 -4,-1.6 -4,-0.2 -5,-0.3 -3,-0.1 0.771 75.5 -47.4 58.4 31.8 32.0 4.6 2.3 475 494 A G T 3> S+ 0 0 16 -9,-0.2 4,-3.2 -6,-0.1 -1,-0.3 0.417 104.0 128.1 93.4 -0.8 33.3 6.9 -0.5 476 495 A E H <> S+ 0 0 118 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.923 74.0 43.8 -53.5 -54.2 30.1 8.8 -0.9 477 496 A Y H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 115.9 49.7 -61.7 -39.0 31.6 12.3 -0.6 478 497 A A H > S+ 0 0 7 -12,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.920 108.1 53.8 -65.6 -43.5 34.5 11.3 -2.8 479 498 A H H X S+ 0 0 117 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.891 108.1 50.1 -57.7 -41.1 32.1 9.9 -5.4 480 499 A E H X S+ 0 0 49 -4,-2.1 4,-1.9 1,-0.2 6,-0.4 0.840 103.8 59.6 -68.2 -34.1 30.2 13.2 -5.5 481 500 A I H < S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.6 30.4 -61.4 -43.5 33.4 15.2 -6.0 482 501 A L H < S+ 0 0 49 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.414 133.3 28.9 -98.9 2.4 34.4 13.5 -9.2 483 502 A N H < S+ 0 0 116 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.2 0.388 124.0 15.3-139.4 -1.7 31.0 12.6 -10.6 484 503 A G S < S- 0 0 45 -4,-1.9 2,-0.3 -5,-0.2 3,-0.1 -0.365 91.5 -72.8-141.9-138.1 28.5 15.2 -9.3 485 504 A D >> + 0 0 26 -2,-0.1 4,-2.0 1,-0.1 3,-1.0 -0.753 32.9 178.5-140.1 88.5 28.5 18.7 -7.7 486 505 A I H 3> S+ 0 0 11 -6,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.766 82.5 64.4 -60.8 -25.6 29.6 18.7 -4.1 487 506 A H H 3> S+ 0 0 21 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.850 106.7 40.4 -68.8 -32.9 29.2 22.4 -4.1 488 507 A T H <> S+ 0 0 52 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.849 114.6 55.8 -79.0 -35.6 25.4 22.1 -4.7 489 508 A K H X S+ 0 0 62 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.850 110.4 42.5 -63.1 -38.5 25.5 19.2 -2.2 490 509 A N H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 6,-0.3 0.866 110.0 60.3 -74.9 -36.4 27.0 21.3 0.5 491 510 A Q H X>S+ 0 0 10 -4,-1.4 4,-1.7 -5,-0.2 5,-1.2 0.943 107.2 43.5 -53.3 -54.9 24.7 24.1 -0.4 492 511 A I H <5S+ 0 0 123 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.938 113.1 52.1 -57.6 -49.2 21.6 22.0 0.3 493 512 A A H <5S+ 0 0 5 -4,-1.6 46,-0.4 1,-0.3 -1,-0.2 0.795 117.4 38.9 -58.8 -30.6 23.1 20.7 3.6 494 513 A A H <5S- 0 0 4 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.628 103.3-131.2 -94.4 -15.8 23.9 24.2 4.7 495 514 A E T <5 + 0 0 139 -4,-1.7 -3,-0.2 -3,-0.4 -4,-0.1 0.552 50.0 164.8 74.6 9.3 20.6 25.6 3.3 496 515 A L < - 0 0 21 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.222 41.7-121.5 -60.8 146.5 22.7 28.3 1.7 497 516 A P S S+ 0 0 94 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.971 82.4 16.8 -50.0 -85.0 21.2 30.6 -1.0 498 517 A T S > S- 0 0 77 1,-0.1 4,-0.6 -7,-0.0 -2,-0.0 -0.246 74.4-114.4 -89.6 179.1 23.4 30.1 -4.1 499 518 A R H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.752 116.0 59.4 -83.1 -27.6 26.0 27.5 -5.2 500 519 A D H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.745 97.1 61.9 -71.7 -24.2 28.7 30.2 -5.0 501 520 A N H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 102.0 52.3 -66.9 -38.7 27.9 30.6 -1.4 502 521 A A H X S+ 0 0 0 -4,-0.6 4,-3.7 2,-0.2 5,-0.3 0.909 104.4 52.8 -63.6 -47.0 28.8 27.0 -0.8 503 522 A K H X S+ 0 0 52 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.869 114.4 44.8 -58.1 -36.1 32.3 27.3 -2.4 504 523 A T H X S+ 0 0 55 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.902 115.7 47.6 -73.0 -42.2 32.9 30.2 -0.1 505 524 A F H X S+ 0 0 21 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.938 115.8 41.4 -64.4 -51.6 31.5 28.3 2.9 506 525 A I H X S+ 0 0 0 -4,-3.7 4,-1.9 2,-0.2 5,-0.2 0.969 115.9 46.5 -64.9 -55.1 33.3 25.1 2.4 507 526 A Y H < S+ 0 0 93 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.2 0.799 118.8 45.8 -58.8 -25.4 36.7 26.5 1.4 508 527 A G H >< S+ 0 0 23 -4,-1.1 3,-1.0 -5,-0.2 -1,-0.2 0.898 106.2 57.2 -81.1 -43.4 36.3 28.8 4.4 509 528 A F H >< S+ 0 0 37 -4,-3.2 3,-0.5 1,-0.3 -2,-0.2 0.788 109.9 47.4 -55.4 -29.7 35.1 26.0 6.7 510 529 A L T 3< S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.646 110.5 50.3 -89.0 -17.3 38.4 24.2 5.9 511 530 A Y T < S- 0 0 143 -3,-1.0 2,-0.7 -4,-0.5 -1,-0.2 -0.118 115.7-106.2-111.1 34.4 40.6 27.3 6.5 512 531 A G < + 0 0 50 -3,-0.5 -1,-0.2 1,-0.1 -4,-0.0 -0.717 55.4 158.3 87.5-112.0 39.1 28.3 9.9 513 532 A A - 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