==== 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 12-MAY-04 1T8E . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.G.BRIEBA,B.F.EICHMAN,R.J.KOKOSKA,S.DOUBLIE,T.A.KUNKEL, . 804 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 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 . 3 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 . 2 0.2 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 . 43 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 1 2 3 0 0 1 3 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 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 PARALLEL BRIDGES PER LADDER . 8 2 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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,-2.1 0, 0.0 26,-0.4 0.000 360.0 360.0 360.0 143.7 79.2 7.5 7.5 2 2 A I E -Ab 25 56A 4 53,-2.5 55,-3.6 23,-0.2 2,-0.5 -0.980 360.0-144.3-137.0 148.5 80.8 10.9 7.9 3 3 A V E +Ab 24 57A 0 21,-2.1 21,-2.8 -2,-0.3 2,-0.3 -0.938 33.0 164.3-111.3 131.1 79.8 14.3 9.2 4 4 A S E +A 23 0A 0 53,-3.1 55,-0.4 -2,-0.5 2,-0.3 -0.869 20.2 174.3-142.4 176.0 81.1 17.4 7.5 5 5 A D E -A 22 0A 16 17,-1.0 17,-1.9 -2,-0.3 2,-0.3 -0.918 16.5-146.2-174.5 154.4 80.7 21.1 7.0 6 6 A I E -A 21 0A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.872 7.0-140.9-132.3 166.7 82.6 23.8 5.1 7 7 A E E +A 20 0A 9 13,-2.7 12,-2.4 -2,-0.3 13,-1.8 -0.997 29.9 167.4-129.5 124.6 83.6 27.5 5.4 8 8 A A E -A 18 0A 5 -2,-0.4 10,-0.2 10,-0.2 148,-0.1 -0.762 45.5-100.9-130.4 177.5 83.6 29.7 2.3 9 9 A N S S- 0 0 36 8,-1.8 2,-0.3 -2,-0.2 145,-0.1 0.460 90.8 -4.8 -82.3 -1.8 83.7 33.4 1.3 10 10 A A S S- 0 0 32 7,-0.2 5,-0.1 145,-0.0 7,-0.1 -0.991 83.1 -66.9-175.6 170.1 80.0 34.0 0.6 11 11 A L >> - 0 0 88 -2,-0.3 4,-1.8 3,-0.1 3,-1.3 -0.218 67.5 -87.1 -64.9 164.3 76.5 32.7 0.2 12 12 A L T 34 S+ 0 0 31 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.830 124.0 54.7 -40.5 -52.8 75.9 30.3 -2.7 13 13 A E T 34 S+ 0 0 133 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.815 123.7 24.0 -57.0 -34.6 75.1 33.0 -5.3 14 14 A S T <4 S+ 0 0 82 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.444 87.7 128.0-114.0 -1.3 78.3 34.9 -4.8 15 15 A V < + 0 0 0 -4,-1.8 3,-0.1 -3,-0.3 -4,-0.1 -0.308 14.5 153.7 -61.4 136.9 80.7 32.2 -3.3 16 16 A T + 0 0 76 1,-0.2 2,-0.3 59,-0.0 -1,-0.1 0.226 55.0 56.8-146.5 10.3 84.1 31.9 -5.2 17 17 A K - 0 0 91 -7,-0.1 -8,-1.8 58,-0.0 2,-0.6 -0.886 60.7-145.9-157.2 121.8 86.5 30.6 -2.6 18 18 A F E +A 8 0A 0 -2,-0.3 -10,-0.2 -10,-0.2 21,-0.1 -0.733 18.3 179.7 -83.4 118.9 86.6 27.5 -0.3 19 19 A H E - 0 0 5 -12,-2.4 2,-0.3 -2,-0.6 -11,-0.2 0.944 55.3 -39.5 -85.6 -55.2 88.3 28.5 3.0 20 20 A C E -A 7 0A 0 -13,-1.8 -13,-2.7 15,-0.2 -1,-0.3 -0.963 47.9-159.7-161.6 176.4 88.3 25.2 4.9 21 21 A G E -AC 6 34A 0 13,-2.0 13,-3.1 -2,-0.3 2,-0.4 -0.986 7.5-146.1-161.9 160.7 86.4 22.1 5.9 22 22 A V E -AC 5 33A 0 -17,-1.9 -17,-1.0 -2,-0.3 2,-0.4 -0.993 6.5-164.9-137.2 143.2 86.2 19.3 8.5 23 23 A I E -AC 4 32A 8 9,-2.3 9,-1.4 -2,-0.4 2,-0.6 -0.984 4.5-164.2-132.1 124.5 85.3 15.6 8.3 24 24 A Y E -AC 3 31A 24 -21,-2.8 -21,-2.1 -2,-0.4 2,-0.6 -0.925 14.6-156.2-103.9 124.2 84.4 13.3 11.2 25 25 A D E >>> -AC 2 30A 30 5,-2.0 4,-2.3 -2,-0.6 3,-1.8 -0.893 12.0-159.2-107.2 115.5 84.6 9.7 10.1 26 26 A Y T 345S+ 0 0 41 -25,-2.1 -1,-0.1 -2,-0.6 -24,-0.1 0.798 94.8 60.7 -59.5 -27.2 82.6 7.2 12.2 27 27 A S T 345S+ 0 0 94 -26,-0.4 -1,-0.3 1,-0.2 -25,-0.1 0.654 120.9 23.3 -75.5 -14.1 84.8 4.5 10.9 28 28 A T T <45S- 0 0 66 -3,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.423 93.5-135.2-126.2 -8.1 87.9 6.2 12.5 29 29 A A T <5 + 0 0 62 -4,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.815 66.1 122.3 54.2 32.3 86.2 8.2 15.2 30 30 A E E < -C 25 0A 124 -5,-0.9 -5,-2.0 2,-0.0 2,-0.3 -0.960 58.5-135.7-133.2 147.8 88.5 11.1 14.2 31 31 A Y E -C 24 0A 90 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.712 17.7-165.9 -94.5 144.1 88.2 14.7 12.9 32 32 A V E -C 23 0A 67 -9,-1.4 -9,-2.3 -2,-0.3 2,-0.4 -1.000 7.4-149.7-133.0 131.9 90.3 15.9 10.1 33 33 A S E -C 22 0A 42 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.823 6.6-161.5-103.1 141.5 90.7 19.6 9.2 34 34 A Y E -C 21 0A 30 -13,-3.1 -13,-2.0 -2,-0.4 5,-0.0 -0.983 6.6-161.4-123.3 131.1 91.2 20.9 5.6 35 35 A R > - 0 0 85 -2,-0.4 3,-2.9 -15,-0.2 4,-0.5 -0.460 45.3 -74.9-103.6 176.7 92.6 24.4 4.9 36 36 A P G > S+ 0 0 41 0, 0.0 3,-1.3 0, 0.0 -18,-0.1 0.863 133.2 44.3 -36.8 -53.2 92.6 26.5 1.7 37 37 A S G 3 S+ 0 0 115 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.580 104.2 65.5 -73.9 -7.0 95.2 24.4 -0.0 38 38 A D G X> + 0 0 60 -3,-2.9 4,-2.0 1,-0.2 3,-0.5 0.416 67.1 110.1 -92.5 1.4 93.6 21.1 1.1 39 39 A F H <> S+ 0 0 5 -3,-1.3 4,-2.1 -4,-0.5 3,-0.3 0.876 77.0 48.3 -42.4 -55.1 90.5 21.7 -1.0 40 40 A G H 3> S+ 0 0 19 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.895 111.2 50.8 -55.8 -42.5 91.2 18.9 -3.5 41 41 A A H <> S+ 0 0 48 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.824 107.3 56.0 -63.9 -32.7 91.9 16.4 -0.7 42 42 A Y H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.955 108.2 45.3 -64.1 -52.0 88.6 17.4 0.9 43 43 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.901 109.4 57.4 -59.4 -41.6 86.6 16.5 -2.1 44 44 A D H X S+ 0 0 88 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.957 106.6 48.3 -54.1 -53.0 88.6 13.3 -2.5 45 45 A A H X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.2 3,-0.5 0.922 111.2 49.0 -53.6 -50.7 87.6 12.2 1.0 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.922 113.2 47.9 -56.8 -44.2 83.9 13.0 0.4 47 47 A E H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.715 105.8 59.2 -69.1 -21.5 84.0 11.1 -2.9 48 48 A A H X S+ 0 0 41 -4,-1.6 4,-1.0 -3,-0.5 -1,-0.2 0.871 102.9 52.1 -73.9 -35.8 85.7 8.2 -1.1 49 49 A E H <>S+ 0 0 2 -4,-1.8 5,-2.5 -3,-0.2 3,-0.4 0.889 109.4 49.8 -66.7 -38.0 82.7 7.9 1.2 50 50 A V H ><5S+ 0 0 33 -4,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.895 103.9 59.3 -67.0 -38.9 80.5 7.7 -1.9 51 51 A A H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.776 103.4 52.5 -60.7 -27.7 82.6 5.0 -3.4 52 52 A R T 3<5S- 0 0 135 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.227 120.3-109.5 -92.7 14.7 82.0 2.8 -0.4 53 53 A G T < 5S+ 0 0 21 -3,-2.1 144,-2.4 1,-0.1 145,-0.3 0.784 75.6 144.3 62.5 26.2 78.2 3.3 -0.8 54 54 A G < - 0 0 5 -5,-2.5 2,-0.4 142,-0.2 -1,-0.1 0.084 46.9-103.7 -84.5-164.3 78.4 5.4 2.4 55 55 A L - 0 0 0 140,-0.1 -53,-2.5 138,-0.1 2,-0.5 -0.969 13.6-154.4-131.5 141.6 76.7 8.5 3.7 56 56 A I E -bd 2 88A 0 31,-3.0 33,-2.8 -2,-0.4 2,-0.5 -0.959 13.7-155.2-116.9 121.2 77.7 12.2 4.1 57 57 A V E +bd 3 89A 0 -55,-3.6 -53,-3.1 -2,-0.5 2,-0.3 -0.842 19.9 164.6-102.3 123.5 76.0 14.3 6.9 58 58 A F E - d 0 90A 0 31,-3.0 33,-2.2 -2,-0.5 2,-0.7 -0.883 37.7-127.0-127.5 158.2 75.7 18.1 6.6 59 59 A H S S- 0 0 6 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.935 102.9 -10.9-107.9 106.1 73.5 20.6 8.4 60 60 A N S > S+ 0 0 25 -2,-0.7 4,-2.3 4,-0.1 5,-0.4 0.668 96.6 137.4 77.2 19.7 71.8 22.5 5.6 61 61 A G T 4> + 0 0 0 1,-0.2 5,-2.4 3,-0.2 7,-0.2 0.850 59.2 65.3 -64.6 -34.6 74.2 20.8 3.2 62 62 A H T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.876 113.7 29.5 -55.8 -43.6 71.4 20.2 0.7 63 63 A K T 45S+ 0 0 40 -3,-0.4 -1,-0.2 3,-0.1 -2,-0.2 0.856 140.2 9.4 -86.3 -38.5 70.8 23.9 0.1 64 64 A Y T X5S+ 0 0 42 -4,-2.3 4,-3.0 3,-0.1 5,-0.3 0.827 120.1 42.3-106.7 -80.3 74.3 25.2 0.7 65 65 A D H >5S+ 0 0 4 -5,-0.4 4,-2.8 1,-0.2 5,-0.2 0.843 115.4 46.4 -40.1 -55.1 77.4 22.9 1.2 66 66 A V H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 116.7 54.6 -62.3 -34.5 75.8 22.8 -4.4 68 68 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 -7,-0.2 5,-0.3 0.919 104.8 52.2 -62.6 -44.4 78.5 25.2 -3.2 69 69 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.891 108.3 52.1 -59.4 -38.5 81.1 22.4 -3.4 70 70 A T H X S+ 0 0 41 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.941 112.3 46.3 -61.5 -46.3 80.0 21.7 -7.0 71 71 A K H X S+ 0 0 67 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.895 116.3 42.4 -65.0 -42.3 80.5 25.4 -7.8 72 72 A L H X>S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.7 0.854 106.8 60.8 -75.0 -34.8 83.9 25.9 -6.1 73 73 A A H X5S+ 0 0 0 -4,-2.6 6,-2.0 -5,-0.3 4,-1.3 0.905 111.7 41.3 -58.8 -39.6 85.3 22.6 -7.5 74 74 A K H X5S+ 0 0 88 -4,-1.4 4,-1.1 4,-0.3 -2,-0.2 0.955 120.0 41.0 -72.8 -52.0 84.8 23.9 -11.0 75 75 A L H <5S+ 0 0 105 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.925 127.3 31.2 -62.7 -47.9 85.9 27.5 -10.4 76 76 A Q H <5S+ 0 0 51 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.901 138.3 15.8 -82.2 -42.9 88.9 26.7 -8.2 77 77 A L H < - 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.364 16.6-122.4 -66.8 150.0 74.6 12.0 -5.5 85 85 A R G > S+ 0 0 47 1,-0.3 3,-3.0 2,-0.2 -2,-0.0 0.962 109.0 59.1 -52.7 -58.4 71.4 12.7 -3.7 86 86 A E G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.568 101.2 57.7 -51.5 -11.8 71.1 9.3 -2.1 87 87 A N G < S+ 0 0 7 -3,-1.4 -31,-3.0 -32,-0.1 2,-0.4 0.453 92.6 86.8-100.3 0.3 74.5 9.8 -0.4 88 88 A C E < -d 56 0A 0 -3,-3.0 2,-0.4 -4,-0.2 -31,-0.2 -0.862 49.2-173.5-113.3 137.6 73.5 12.9 1.5 89 89 A I E -d 57 0A 0 -33,-2.8 -31,-3.0 -2,-0.4 2,-0.5 -0.962 8.0-160.2-121.8 135.4 71.9 13.5 4.9 90 90 A D E > -d 58 0A 2 -2,-0.4 4,-2.2 -33,-0.2 -31,-0.2 -0.957 8.9-162.7-119.8 117.0 70.8 16.9 6.2 91 91 A T H > S+ 0 0 0 -33,-2.2 4,-2.2 -2,-0.5 -32,-0.2 0.690 94.1 57.7 -71.1 -16.1 70.3 17.4 9.9 92 92 A L H > S+ 0 0 10 -34,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.853 108.6 46.8 -77.9 -34.6 68.4 20.6 9.3 93 93 A V H > S+ 0 0 15 2,-0.2 4,-0.9 -3,-0.2 -2,-0.2 0.911 116.4 44.0 -69.4 -44.0 66.0 18.6 7.1 94 94 A L H >X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 3,-0.6 0.915 112.2 52.7 -66.1 -44.5 65.8 15.9 9.8 95 95 A S H 3X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.907 108.3 50.2 -59.9 -42.0 65.4 18.4 12.6 96 96 A R H 3< S+ 0 0 20 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.715 112.5 48.6 -70.7 -20.0 62.5 20.1 10.8 97 97 A L H X< S+ 0 0 1 -4,-0.9 3,-0.9 -3,-0.6 -2,-0.2 0.933 117.3 37.7 -82.2 -52.0 60.8 16.8 10.3 98 98 A I H 3< S+ 0 0 20 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.786 126.6 36.6 -72.2 -28.9 61.1 15.5 13.9 99 99 A H T >< S+ 0 0 50 -4,-2.3 3,-2.2 -5,-0.3 -1,-0.3 -0.280 71.6 144.3-117.7 46.1 60.5 18.8 15.6 100 100 A S T < + 0 0 15 -3,-0.9 -1,-0.1 1,-0.3 322,-0.1 0.766 67.5 63.4 -55.7 -27.9 57.9 20.1 13.1 101 101 A N T 3 S+ 0 0 77 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.701 97.7 76.1 -70.6 -18.8 56.1 21.9 16.0 102 102 A L S < S- 0 0 55 -3,-2.2 2,-0.2 -6,-0.1 17,-0.1 -0.489 73.5-132.0 -95.3 163.4 59.2 24.0 16.5 103 103 A K - 0 0 91 15,-0.8 17,-0.5 13,-0.3 2,-0.3 -0.656 16.7-165.6-105.8 162.4 60.7 27.0 14.8 104 104 A D - 0 0 38 -2,-0.2 20,-0.1 15,-0.1 15,-0.0 -0.867 34.8-109.1-138.2 171.3 64.3 27.5 13.7 105 105 A T >>> - 0 0 5 -2,-0.3 5,-1.7 18,-0.1 4,-1.6 0.094 49.0-114.4 -92.9 24.6 66.2 30.6 12.6 106 106 A D T 345S- 0 0 17 1,-0.3 3,-0.5 2,-0.2 -1,-0.0 0.894 80.2 -51.2 42.8 43.9 66.4 29.4 9.0 107 107 A M T 345S- 0 0 51 1,-0.2 -1,-0.3 16,-0.1 23,-0.1 0.808 113.4 -41.8 66.3 33.3 70.1 29.3 9.7 108 108 A G T <45S+ 0 0 39 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.505 112.7 107.7 95.7 4.6 70.4 32.8 11.0 109 109 A L T <5S+ 0 0 103 -4,-1.6 2,-0.2 -3,-0.5 -3,-0.2 0.819 77.6 51.6 -81.7 -33.5 68.2 34.7 8.6 110 110 A L S > - 0 0 176 -2,-0.2 3,-1.3 1,-0.2 4,-0.5 -0.837 15.4-145.6 -96.4 127.0 65.8 36.6 14.6 112 112 A S G >4 S+ 0 0 37 -2,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.905 98.3 59.8 -55.8 -43.0 65.5 34.1 17.4 113 113 A G G 34 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.713 103.5 50.5 -59.8 -22.6 63.9 36.8 19.6 114 114 A K G <4 S+ 0 0 152 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.510 91.5 96.5 -93.6 -6.3 61.0 37.3 17.2 115 115 A L S << S- 0 0 32 -3,-1.7 2,-0.1 -4,-0.5 -10,-0.0 -0.703 74.1-127.8 -88.0 129.5 60.3 33.5 16.9 116 116 A P + 0 0 89 0, 0.0 -13,-0.3 0, 0.0 -2,-0.1 -0.396 67.4 5.3 -75.0 152.5 57.5 32.1 19.1 117 117 A G S S- 0 0 72 -15,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.162 100.8 -39.6 75.1-169.8 58.1 29.1 21.4 118 124 A A - 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0 0 30 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.400 28.1-161.4 -65.7 134.8 31.4 58.3 12.6 346 352 A V - 0 0 108 -2,-0.1 -1,-0.1 2,-0.0 -5,-0.0 -0.927 14.3-137.9-121.4 105.0 30.4 56.0 15.5 347 353 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -10,-0.0 -0.251 20.7-177.9 -60.3 145.1 32.5 52.7 15.6 348 354 A T + 0 0 127 1,-0.2 2,-0.3 9,-0.1 -2,-0.0 0.117 69.2 60.1-128.7 15.8 30.6 49.5 16.4 349 355 A K + 0 0 83 8,-0.1 8,-3.5 2,-0.0 2,-0.2 -0.862 60.2 169.7-149.9 110.4 33.7 47.2 16.3 350 356 A Y B -N 356 0J 122 -2,-0.3 2,-0.2 6,-0.3 5,-0.1 -0.604 26.9-115.0-113.4 176.3 36.7 47.5 18.5 351 357 A T > - 0 0 63 4,-1.8 3,-2.6 -2,-0.2 -1,-0.1 -0.523 39.0 -89.9-105.9 175.1 39.7 45.3 19.2 352 358 A D T 3 S+ 0 0 174 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.876 129.9 48.9 -49.7 -42.0 41.0 43.5 22.3 353 359 A K T 3 S- 0 0 203 2,-0.1 -1,-0.3 1,-0.1 0, 0.0 0.138 124.9-103.2 -89.0 21.8 42.9 46.6 23.3 354 360 A G S < S+ 0 0 48 -3,-2.6 -2,-0.1 1,-0.2 -1,-0.1 0.440 73.6 143.3 75.4 1.1 39.9 48.8 22.8 355 361 A A - 0 0 48 -5,-0.1 -4,-1.8 1,-0.1 2,-0.2 -0.556 57.5-111.9 -77.0 134.3 41.0 50.2 19.4 356 362 A P B -N 350 0J 24 0, 0.0 -6,-0.3 0, 0.0 -19,-0.1 -0.492 38.2-110.8 -67.1 128.1 38.2 50.8 16.9 357 363 A V - 0 0 25 -8,-3.5 2,-0.2 -2,-0.2 -9,-0.1 -0.356 35.7-177.2 -62.3 132.0 38.6 48.4 14.0 358 364 A V + 0 0 9 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.611 27.5 127.6-136.5 77.7 39.6 50.0 10.7 359 365 A D S > S- 0 0 55 -2,-0.2 4,-2.4 -26,-0.0 5,-0.2 -0.612 75.4 -89.1-116.2 178.6 39.8 47.6 7.8 360 366 A D H > S+ 0 0 73 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.872 122.6 62.5 -59.9 -36.3 38.2 47.8 4.4 361 367 A E H > S+ 0 0 99 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.946 110.6 35.9 -54.5 -53.7 35.1 46.0 5.7 362 368 A V H >> S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 3,-1.1 0.908 115.8 54.4 -69.8 -39.4 34.3 48.7 8.2 363 369 A L H >< S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.910 101.6 61.0 -58.0 -40.1 35.4 51.5 5.9 364 370 A E H 3< S+ 0 0 105 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.801 112.8 37.1 -55.4 -30.7 33.1 50.1 3.3 365 371 A G H << S+ 0 0 47 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.509 85.9 118.5-103.5 -5.4 30.2 50.7 5.7 366 372 A V << - 0 0 4 -4,-1.1 2,-0.4 -3,-0.8 11,-0.0 -0.365 41.5-170.9 -63.8 139.5 31.3 54.0 7.3 367 373 A R + 0 0 160 -2,-0.1 2,-0.3 -27,-0.1 -2,-0.0 -0.966 9.1 171.9-138.5 120.1 28.8 56.9 6.6 368 374 A V - 0 0 13 -2,-0.4 -24,-0.1 2,-0.2 6,-0.1 -0.892 36.5-122.9-124.2 156.6 29.3 60.6 7.4 369 375 A D S S+ 0 0 156 -26,-0.7 -1,-0.1 -2,-0.3 -25,-0.1 0.950 85.3 88.1 -62.7 -53.4 27.2 63.7 6.6 370 376 A D > - 0 0 63 -27,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.272 67.6-150.6 -54.6 119.3 29.9 65.7 4.8 371 377 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.871 94.2 50.7 -58.8 -40.9 29.8 64.7 1.1 372 378 A E H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.948 114.1 42.5 -65.7 -48.7 33.5 65.5 0.6 373 379 A K H > S+ 0 0 60 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.860 111.4 56.3 -65.7 -35.4 34.7 63.4 3.5 374 380 A Q H X S+ 0 0 50 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.909 110.7 44.5 -61.6 -41.7 32.2 60.7 2.6 375 381 A A H >X S+ 0 0 54 -4,-2.0 4,-1.1 1,-0.2 3,-0.5 0.790 101.9 67.2 -72.4 -28.5 33.9 60.5 -0.8 376 382 A A H 3X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.835 90.5 66.0 -61.2 -30.5 37.4 60.7 0.8 377 383 A I H 3X S+ 0 0 2 -4,-1.1 4,-2.2 -3,-0.4 -1,-0.2 0.921 97.0 51.9 -57.8 -46.5 36.6 57.3 2.2 378 384 A D H S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-2.2 0.936 109.9 55.6 -67.0 -45.1 53.7 49.0 -3.9 391 397 A G H <>S+ 0 0 24 -4,-3.8 5,-2.0 1,-0.2 -2,-0.2 0.931 116.7 35.0 -51.0 -50.4 54.7 47.5 -0.6 392 398 A Q H <5S+ 0 0 44 -4,-2.1 8,-1.6 -5,-0.2 -1,-0.2 0.833 125.6 38.9 -75.9 -34.4 54.9 44.0 -2.1 393 399 A S H <5S- 0 0 1 -4,-2.5 8,-1.7 6,-0.2 -3,-0.2 0.819 134.2 -8.7 -90.2 -32.3 56.3 44.9 -5.5 394 400 A A T <5S+ 0 0 8 -4,-3.1 -3,-0.2 -5,-0.3 5,-0.1 0.692 123.7 40.4-135.3 -42.2 58.8 47.7 -4.9 395 401 A E T - 0 0 0 -3,-1.4 3,-2.8 -5,-0.1 4,-0.6 -0.344 58.9-117.7 -65.9 139.7 59.8 43.6 -2.4 400 406 A W H >> S+ 0 0 3 -8,-1.6 3,-1.6 1,-0.3 4,-1.2 0.825 113.9 55.6 -41.7 -47.1 60.3 41.8 -5.7 401 407 A L H 34 S+ 0 0 42 -8,-1.7 -1,-0.3 1,-0.3 -7,-0.1 0.666 104.1 54.6 -65.6 -18.2 62.4 44.6 -7.1 402 408 A R H <4 S+ 0 0 148 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.494 114.1 41.9 -91.6 -5.1 64.8 44.3 -4.1 403 409 A Y H << S+ 0 0 79 -3,-1.6 8,-0.5 -4,-0.6 -2,-0.2 0.513 77.0 117.3-117.9 -10.2 65.3 40.6 -4.8 404 410 A V B < -F 410 0B 32 -4,-1.2 6,-0.2 6,-0.1 2,-0.1 -0.413 57.0-144.8 -59.7 134.0 65.6 40.3 -8.6 405 411 A A > - 0 0 41 4,-2.4 3,-1.8 -2,-0.1 4,-0.1 -0.368 27.4 -91.6 -97.6 178.3 69.1 38.9 -9.3 406 412 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.909 123.9 60.5 -52.6 -45.7 71.7 39.4 -12.0 407 413 A D T 3 S- 0 0 79 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.216 118.3-110.3 -70.7 16.5 70.2 36.5 -13.9 408 414 A G S < S+ 0 0 26 -3,-1.8 -180,-2.0 1,-0.2 2,-0.3 0.820 84.0 107.9 58.7 33.7 66.8 38.3 -14.2 409 415 A K E -E 227 0B 20 -182,-0.3 -4,-2.4 -4,-0.1 2,-0.6 -0.962 68.0-126.5-139.7 154.8 65.2 35.8 -11.8 410 416 A I E -EF 226 404B 1 -184,-2.1 -184,-2.1 -2,-0.3 2,-1.3 -0.916 16.5-158.3-105.3 116.7 63.9 35.8 -8.2 411 417 A H - 0 0 45 -2,-0.6 -189,-0.1 -8,-0.5 -188,-0.0 -0.532 18.3-170.9 -95.0 68.5 65.4 33.0 -6.1 412 418 A G - 0 0 7 -2,-1.3 2,-0.2 1,-0.1 16,-0.2 -0.207 20.1-117.8 -58.8 148.7 62.8 32.8 -3.4 413 419 A S E -O 427 0K 20 14,-2.7 14,-1.7 16,-0.2 2,-0.4 -0.571 24.0-161.9 -89.2 153.0 63.6 30.6 -0.4 414 420 A V E -O 426 0K 5 12,-0.2 12,-0.2 -2,-0.2 -192,-0.1 -0.993 16.4-157.7-139.6 129.5 61.6 27.6 0.6 415 421 A N E > -O 425 0K 15 10,-2.5 10,-2.3 -2,-0.4 3,-1.9 -0.905 19.8-154.8-101.5 97.2 61.6 25.7 4.0 416 422 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.699 89.3 24.6 -47.0 -27.1 60.3 22.4 2.6 417 423 A N T 3 S+ 0 0 5 1,-0.1 7,-0.2 7,-0.1 6,-0.1 -0.140 80.4 130.0-136.0 42.6 58.8 21.4 6.0 418 424 A G < + 0 0 18 -3,-1.9 2,-0.4 7,-0.1 6,-0.2 0.578 57.7 67.7 -74.6 -13.2 58.2 24.8 7.8 419 425 A A S > S- 0 0 24 4,-2.1 3,-1.9 -4,-0.2 -318,-0.1 -0.872 84.5-120.4-111.7 145.5 54.6 24.3 8.9 420 426 A V T 3 S+ 0 0 17 -2,-0.4 176,-0.2 1,-0.3 -1,-0.1 0.862 109.8 57.7 -43.8 -49.6 53.3 21.8 11.5 421 427 A T T 3 S- 0 0 6 1,-0.1 -1,-0.3 174,-0.1 193,-0.2 0.663 124.8 -95.8 -59.5 -22.3 51.1 20.0 9.0 422 428 A G S < S+ 0 0 0 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.362 82.9 132.8 116.7 -2.8 53.9 19.1 6.6 423 429 A R - 0 0 70 -6,-0.1 -4,-2.1 1,-0.1 -1,-0.4 -0.339 55.1-119.5 -72.9 165.2 53.3 22.1 4.3 424 430 A A - 0 0 4 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.544 19.1-136.4 -98.9 169.0 56.4 24.1 3.3 425 431 A T E -O 415 0K 55 -10,-2.3 -10,-2.5 -2,-0.2 2,-0.4 -0.890 13.6-152.5-122.9 157.3 56.9 27.8 4.0 426 432 A H E +O 414 0K 23 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.995 22.6 147.5-136.5 138.5 58.2 30.4 1.5 427 433 A A E +O 413 0K 33 -14,-1.7 -14,-2.7 -2,-0.4 4,-0.1 -0.981 33.5 78.7-160.7 167.7 60.0 33.7 2.0 428 434 A F S S- 0 0 25 -2,-0.3 -1,-0.1 -16,-0.2 2,-0.1 0.905 139.7 -3.4 62.8 49.9 62.6 36.2 0.7 429 435 A P S S- 0 0 4 0, 0.0 2,-1.3 0, 0.0 -2,-0.3 0.704 96.8-127.5 -95.8 175.9 60.3 36.9 -1.0 430 436 A N > - 0 0 36 1,-0.2 3,-1.5 -4,-0.2 -3,-0.1 -0.669 22.3-174.0 -82.8 95.9 57.3 34.7 -0.4 431 437 A L T 3 S+ 0 0 15 -2,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.465 78.7 70.9 -69.7 2.6 56.4 33.5 -3.9 432 438 A A T 3 S+ 0 0 25 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.106 91.8 56.1-103.0 17.7 53.4 31.9 -2.4 433 439 A Q < + 0 0 119 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.1 -0.178 69.5 143.1-141.2 44.2 51.6 35.2 -1.6 434 440 A I - 0 0 10 -3,-0.4 3,-0.1 1,-0.1 8,-0.0 -0.728 63.0 -91.8 -88.5 132.2 51.5 36.8 -5.0 435 441 A P - 0 0 15 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 -0.065 47.6-106.0 -42.5 134.9 48.3 38.8 -5.8 436 442 A G > - 0 0 33 1,-0.1 3,-2.4 9,-0.1 6,-0.2 -0.395 26.6-114.0 -66.2 142.2 45.6 36.7 -7.5 437 443 A V T 3 S+ 0 0 23 1,-0.3 6,-0.8 5,-0.2 -1,-0.1 0.744 115.8 49.9 -46.3 -30.8 45.1 37.4 -11.2 438 444 A R T 3 S+ 0 0 169 4,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.566 91.8 90.3 -89.5 -10.9 41.6 38.7 -10.5 439 445 A S S X S- 0 0 39 -3,-2.4 3,-3.2 1,-0.2 4,-0.4 -0.439 101.6 -65.7 -81.2 161.4 42.5 41.1 -7.7 440 446 A P T 3 S- 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.235 125.1 -1.6 -49.2 123.6 43.4 44.7 -8.5 441 447 A Y T 3> S+ 0 0 53 -3,-0.1 4,-2.3 -4,-0.1 5,-0.2 0.511 96.1 129.5 70.1 6.3 46.6 44.7 -10.5 442 448 A G H <> + 0 0 0 -3,-3.2 4,-3.3 1,-0.2 5,-0.3 0.931 66.7 53.0 -55.6 -50.0 46.7 40.9 -10.2 443 449 A E H > S+ 0 0 140 -6,-0.8 4,-2.9 -4,-0.4 -1,-0.2 0.911 110.4 46.3 -53.6 -48.7 47.2 40.4 -13.9 444 450 A Q H > S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.926 116.9 44.6 -61.2 -45.3 50.3 42.7 -14.1 445 451 A C H >< S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.956 117.7 43.2 -62.8 -52.0 51.8 41.2 -10.9 446 452 A R H >< S+ 0 0 19 -4,-3.3 3,-1.5 1,-0.2 248,-0.9 0.870 110.4 55.7 -63.1 -40.4 51.2 37.6 -12.0 447 453 A A H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.763 95.7 66.7 -66.2 -24.5 52.2 38.2 -15.6 448 454 A A T << S+ 0 0 1 -4,-1.1 -219,-2.4 -3,-0.5 2,-0.7 0.631 92.1 70.1 -72.6 -11.7 55.6 39.5 -14.4 449 455 A F B < S+G 228 0C 0 -3,-1.5 245,-2.9 -4,-0.3 2,-0.3 -0.913 77.5 115.0-106.9 108.2 56.4 36.0 -13.1 450 456 A G S > S- 0 0 0 -223,-2.3 3,-2.1 -2,-0.7 243,-0.2 -0.932 72.7-117.0-175.6 150.8 56.9 33.7 -16.1 451 457 A A G > S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.3 12,-1.2 0.812 107.7 72.0 -56.5 -32.1 59.0 31.4 -18.3 452 458 A E G 3 S+ 0 0 66 240,-2.2 -1,-0.3 1,-0.3 241,-0.1 0.743 88.4 63.1 -57.3 -23.1 58.5 33.8 -21.1 453 459 A H G < S+ 0 0 48 -3,-2.1 2,-0.5 239,-0.3 -1,-0.3 0.462 91.7 76.5 -84.4 0.4 60.8 36.2 -19.3 454 460 A H S < S- 0 0 16 -3,-2.4 9,-1.8 -227,-0.1 2,-0.5 -0.940 71.5-151.2-111.2 130.6 63.7 33.8 -19.6 455 461 A L B -P 462 0L 101 -2,-0.5 6,-0.1 7,-0.2 -3,-0.1 -0.885 30.2-102.2-105.8 129.6 65.4 33.4 -23.0 456 462 A D > - 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R 0 686M 4 178,-2.5 3,-0.6 -2,-0.4 2,-0.4 -0.458 39.5-117.6 -66.5 133.7 45.8 19.4 -7.6 471 477 A S T 3 S- 0 0 25 214,-2.0 214,-0.4 1,-0.2 5,-0.2 -0.603 78.7 -27.2 -78.5 126.1 42.0 19.4 -8.0 472 478 A G T 3> S+ 0 0 8 -2,-0.4 4,-2.2 3,-0.1 5,-0.3 0.832 83.5 176.5 36.1 48.3 39.9 19.9 -4.9 473 479 A L H <> + 0 0 13 -3,-0.6 4,-1.9 1,-0.2 3,-0.3 0.906 67.2 38.0 -45.4 -68.7 42.7 18.4 -2.9 474 480 A E H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.790 115.8 54.2 -63.2 -26.4 41.7 18.7 0.8 475 481 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 110.0 47.1 -73.8 -34.6 38.1 18.0 -0.1 476 482 A R H X S+ 0 0 24 -4,-2.2 4,-1.7 -3,-0.3 -2,-0.2 0.792 109.4 55.7 -73.3 -27.3 39.2 14.8 -1.8 477 483 A C H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.886 106.7 49.5 -69.0 -38.5 41.3 14.2 1.3 478 484 A L H X S+ 0 0 3 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.956 107.9 53.6 -62.3 -50.8 38.1 14.4 3.4 479 485 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 12,-0.3 0.855 107.8 51.6 -52.1 -40.4 36.4 11.9 1.1 480 486 A H H >< S+ 0 0 32 -4,-1.7 3,-1.1 1,-0.2 4,-0.4 0.978 113.1 43.8 -62.2 -54.2 39.3 9.5 1.6 481 487 A F H 3< S+ 0 0 49 -4,-2.1 3,-0.4 1,-0.3 -2,-0.2 0.727 116.0 45.6 -66.8 -24.3 39.0 9.8 5.4 482 488 A M H >X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-2.1 0.472 84.8 94.7 -99.4 6.2 35.3 9.6 5.6 483 489 A A H < S- 0 0 12 -4,-2.4 3,-1.3 -7,-0.2 -3,-0.2 0.183 101.9-121.2-113.4 14.0 30.0 6.7 4.0 487 493 A N T 3< S- 0 0 136 -4,-1.2 -4,-0.2 -5,-0.3 -3,-0.2 0.775 73.7 -51.0 51.0 32.2 31.5 3.8 2.1 488 494 A G T 3> S+ 0 0 16 -6,-0.2 4,-0.8 -9,-0.2 -1,-0.3 0.670 98.0 132.3 85.1 17.7 32.9 6.1 -0.5 489 495 A E H X> S+ 0 0 134 -3,-1.3 4,-2.8 2,-0.2 3,-1.7 0.995 79.1 40.3 -63.1 -61.8 29.8 8.1 -1.4 490 496 A Y H 3> S+ 0 0 25 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.881 110.4 59.6 -53.4 -42.1 31.4 11.5 -1.2 491 497 A A H 34 S+ 0 0 9 -12,-0.3 192,-0.3 1,-0.2 -1,-0.3 0.728 113.5 39.6 -59.6 -23.4 34.6 10.1 -2.9 492 498 A H H X< S+ 0 0 142 -3,-1.7 3,-1.0 -4,-0.8 -2,-0.2 0.847 116.2 47.6 -93.1 -43.6 32.3 9.2 -5.8 493 499 A E H >< S+ 0 0 83 -4,-2.8 3,-2.6 1,-0.3 -2,-0.2 0.842 98.1 68.4 -67.8 -35.5 30.1 12.3 -5.8 494 500 A I T 3< S+ 0 0 3 -4,-3.2 5,-0.3 1,-0.3 -1,-0.3 0.689 97.6 58.4 -57.7 -16.7 33.0 14.8 -5.6 495 501 A L T < S+ 0 0 69 -3,-1.0 2,-1.1 -5,-0.2 -1,-0.3 0.274 76.2 97.9 -98.3 8.8 33.7 13.5 -9.1 496 502 A N S < S- 0 0 99 -3,-2.6 -1,-0.1 1,-0.1 -3,-0.0 -0.750 106.4 -36.4 -97.9 88.0 30.4 14.5 -10.7 497 503 A G S S- 0 0 52 -2,-1.1 -1,-0.1 4,-0.0 2,-0.1 -0.002 108.6 -37.4 79.9 164.3 31.4 17.8 -12.3 498 504 A D > - 0 0 62 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.383 57.4-141.7 -59.4 131.8 33.8 20.2 -10.6 499 505 A I H > S+ 0 0 7 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.927 95.6 46.1 -64.7 -46.1 33.2 20.1 -6.9 500 506 A H H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 113.1 48.3 -66.2 -41.7 33.7 23.8 -6.2 501 507 A T H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.3 50.8 -64.3 -39.7 31.6 25.1 -9.1 502 508 A K H X S+ 0 0 60 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.941 112.0 45.6 -62.1 -48.2 28.9 22.7 -8.1 503 509 A N H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.863 107.3 60.5 -62.4 -36.0 28.9 23.9 -4.5 504 510 A Q H X>S+ 0 0 33 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.939 106.9 44.9 -55.8 -50.6 29.0 27.5 -5.8 505 511 A I H ><5S+ 0 0 115 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.912 113.0 50.8 -60.9 -44.4 25.7 26.9 -7.5 506 512 A A H 3<5S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 117.2 39.0 -63.5 -37.1 24.2 25.2 -4.5 507 513 A A H 3<5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.434 107.3-126.6 -92.5 -1.8 25.2 28.0 -2.1 508 514 A E T <<5 + 0 0 147 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.895 50.1 164.5 58.3 43.2 24.4 30.7 -4.7 509 515 A L < - 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