==== 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 1SKR . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,S.DUTTA,S.DOUBLIE,H.M.BDOUR,J.S.TAYLOR,T.ELLENBERGER . 774 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 37.3 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 1 2 1 2 2 0 1 1 4 1 0 1 0 0 1 0 1 2 1 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 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 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 21 0, 0.0 25,-2.3 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 132.0 79.4 5.9 7.6 2 2 A I E -Ab 25 56A 3 53,-2.6 55,-3.1 23,-0.2 2,-0.4 -0.902 360.0-143.9-127.3 156.9 81.3 9.1 7.9 3 3 A V E +Ab 24 57A 0 21,-2.4 21,-3.0 -2,-0.3 2,-0.3 -0.971 31.1 169.4-119.0 133.7 80.4 12.6 9.3 4 4 A S E +A 23 0A 0 53,-3.1 55,-0.4 -2,-0.4 2,-0.3 -0.905 20.0 176.6-143.6 171.2 81.8 15.6 7.5 5 5 A D E -A 22 0A 15 17,-1.2 17,-2.1 -2,-0.3 2,-0.3 -0.941 14.0-151.2-168.2 151.4 81.8 19.4 7.2 6 6 A I E -A 21 0A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.3 -0.864 8.0-143.0-130.2 165.4 83.8 22.0 5.2 7 7 A E E +A 20 0A 20 13,-2.9 12,-2.5 -2,-0.3 13,-1.6 -0.999 28.1 172.3-127.6 129.8 84.9 25.6 5.5 8 8 A A E -A 18 0A 6 -2,-0.4 10,-0.2 10,-0.2 148,-0.1 -0.853 43.1-102.3-134.2 171.6 85.0 27.8 2.4 9 9 A N S S- 0 0 32 8,-1.9 2,-0.3 -2,-0.3 145,-0.1 0.554 89.2 -10.7 -74.4 -9.9 85.5 31.5 1.5 10 10 A A S S- 0 0 32 7,-0.3 5,-0.1 145,-0.0 -2,-0.1 -0.985 84.9 -56.4-170.8 178.0 81.9 32.5 0.8 11 11 A L >> - 0 0 92 -2,-0.3 3,-1.5 1,-0.1 4,-1.2 -0.266 65.4 -95.2 -64.2 159.7 78.2 31.6 0.3 12 12 A L T 34 S+ 0 0 27 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.811 119.6 64.7 -45.2 -43.0 77.5 29.1 -2.5 13 13 A E T 34 S+ 0 0 137 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.820 122.7 13.5 -54.9 -37.8 76.7 31.8 -5.1 14 14 A S T <4 S+ 0 0 78 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.272 86.2 140.2-126.1 13.4 80.2 33.2 -5.1 15 15 A V < + 0 0 0 -4,-1.2 3,-0.1 -3,-0.4 -4,-0.0 -0.332 11.0 159.7 -62.0 136.9 82.4 30.6 -3.3 16 16 A T + 0 0 72 1,-0.2 2,-0.4 59,-0.0 -1,-0.1 0.411 52.0 56.5-135.3 -7.9 85.8 30.1 -5.0 17 17 A K - 0 0 106 -7,-0.0 -8,-1.9 58,-0.0 2,-0.6 -0.990 58.5-146.2-140.2 138.4 88.0 28.5 -2.3 18 18 A F E +A 8 0A 5 -2,-0.4 -10,-0.2 -10,-0.2 21,-0.1 -0.847 19.9 177.3 -93.5 122.4 88.1 25.4 -0.1 19 19 A H E - 0 0 6 -12,-2.5 2,-0.3 -2,-0.6 -11,-0.2 0.895 56.9 -37.6 -91.3 -54.4 89.7 26.4 3.1 20 20 A C E -A 7 0A 0 -13,-1.6 -13,-2.9 15,-0.2 -1,-0.4 -0.981 47.1-157.0-163.2 170.9 89.4 23.1 5.0 21 21 A G E -AC 6 34A 0 13,-2.0 13,-2.5 -2,-0.3 2,-0.4 -0.986 7.4-148.7-154.7 155.6 87.4 20.0 5.9 22 22 A V E -AC 5 33A 0 -17,-2.1 -17,-1.2 -2,-0.3 2,-0.4 -0.987 7.8-166.5-132.0 140.3 87.0 17.4 8.6 23 23 A I E -AC 4 32A 8 9,-1.9 9,-1.8 -2,-0.4 2,-0.6 -0.979 5.0-166.3-131.5 122.2 85.9 13.7 8.4 24 24 A Y E -AC 3 31A 22 -21,-3.0 -21,-2.4 -2,-0.4 2,-0.6 -0.928 13.9-157.2-104.6 125.2 85.0 11.4 11.2 25 25 A D E >>> -AC 2 30A 28 5,-2.0 4,-3.2 -2,-0.6 5,-0.8 -0.908 10.2-156.1-107.6 120.9 84.9 7.8 10.2 26 26 A Y T 345S+ 0 0 40 -25,-2.3 -1,-0.1 -2,-0.6 -24,-0.1 0.810 92.8 57.1 -62.4 -33.0 82.8 5.4 12.3 27 27 A S T 345S+ 0 0 97 -26,-0.3 -1,-0.2 1,-0.2 -25,-0.1 0.809 123.0 24.4 -70.9 -28.8 84.7 2.3 11.2 28 28 A T T <45S- 0 0 71 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.658 95.8-140.3-104.4 -24.2 88.0 3.8 12.5 29 29 A A T <5 + 0 0 60 -4,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.776 58.8 123.0 67.6 30.9 86.4 6.2 15.0 30 30 A E E < -C 25 0A 118 -5,-0.8 -5,-2.0 -7,-0.0 2,-0.4 -0.885 58.6-131.3-125.2 155.2 88.9 8.9 14.2 31 31 A Y E -C 24 0A 91 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.864 21.4-166.8-101.4 136.0 88.8 12.5 13.0 32 32 A V E -C 23 0A 64 -9,-1.8 -9,-1.9 -2,-0.4 2,-0.3 -0.989 8.6-146.5-127.4 125.4 91.0 13.6 10.1 33 33 A S E -C 22 0A 42 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.660 6.1-161.9 -92.6 145.7 91.7 17.2 9.1 34 34 A Y E -C 21 0A 32 -13,-2.5 -13,-2.0 -2,-0.3 -2,-0.0 -0.964 10.1-164.9-129.1 113.2 92.2 18.4 5.6 35 35 A R > - 0 0 95 -2,-0.5 3,-3.2 -15,-0.2 4,-0.3 -0.274 46.6 -70.5 -88.2 178.3 93.8 21.8 5.1 36 36 A P G > S+ 0 0 58 0, 0.0 3,-0.9 0, 0.0 -18,-0.1 0.791 133.7 43.8 -36.1 -49.6 93.9 24.0 1.9 37 37 A S G 3 S+ 0 0 115 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.469 103.1 68.3 -82.0 0.4 96.3 21.7 0.0 38 38 A D G <> + 0 0 56 -3,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.324 65.0 109.0 -98.4 7.3 94.5 18.5 1.1 39 39 A F H <> S+ 0 0 7 -3,-0.9 4,-2.2 -4,-0.3 5,-0.2 0.877 77.4 49.4 -51.3 -45.4 91.4 19.3 -0.9 40 40 A G H > S+ 0 0 18 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.937 113.1 47.4 -61.1 -44.8 92.0 16.6 -3.5 41 41 A A H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 107.7 56.6 -61.9 -43.3 92.5 14.1 -0.7 42 42 A Y H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.935 108.8 46.8 -54.1 -48.7 89.4 15.3 1.1 43 43 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.915 108.5 54.7 -60.5 -45.2 87.4 14.6 -2.1 44 44 A D H X S+ 0 0 83 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.899 105.1 54.2 -57.1 -41.0 88.9 11.1 -2.5 45 45 A A H X S+ 0 0 26 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.908 109.5 47.5 -60.2 -42.4 87.9 10.2 1.0 46 46 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.922 112.9 47.2 -66.6 -44.2 84.3 11.1 0.3 47 47 A E H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.837 107.0 58.8 -66.9 -30.5 84.2 9.2 -3.0 48 48 A A H X S+ 0 0 37 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.947 104.1 49.9 -62.3 -47.4 85.8 6.2 -1.3 49 49 A E H <>S+ 0 0 6 -4,-1.8 5,-2.4 1,-0.2 3,-0.5 0.876 109.7 52.4 -57.9 -37.8 82.9 6.0 1.2 50 50 A V H ><5S+ 0 0 37 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.913 103.5 57.7 -64.2 -40.8 80.6 6.1 -1.9 51 51 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.765 103.7 53.2 -60.9 -26.2 82.5 3.2 -3.4 52 52 A R T 3<5S- 0 0 151 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.498 118.8-108.9 -86.7 -5.1 81.7 1.1 -0.3 53 53 A G T < 5S+ 0 0 19 -3,-1.7 144,-2.5 -4,-0.3 145,-0.3 0.760 76.8 142.9 80.0 25.2 78.0 1.7 -0.6 54 54 A G < - 0 0 7 -5,-2.4 2,-0.3 142,-0.2 143,-0.2 0.172 46.4-108.0 -84.0-159.3 78.4 3.9 2.5 55 55 A L - 0 0 0 138,-0.1 -53,-2.6 141,-0.1 2,-0.5 -0.994 10.8-153.8-141.7 145.7 77.0 7.1 3.8 56 56 A I E -bd 2 88A 0 31,-2.8 33,-2.5 -2,-0.3 2,-0.5 -0.973 13.7-154.8-122.1 119.2 78.1 10.7 4.3 57 57 A V E +bd 3 89A 0 -55,-3.1 -53,-3.1 -2,-0.5 2,-0.3 -0.830 19.0 167.4 -99.7 126.6 76.5 12.9 6.9 58 58 A F E - d 0 90A 0 31,-2.5 33,-2.3 -2,-0.5 2,-0.7 -0.873 36.6-127.1-126.5 159.1 76.5 16.7 6.6 59 59 A H S S- 0 0 8 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.948 101.9 -11.6-108.4 107.5 74.6 19.3 8.6 60 60 A N S > S+ 0 0 25 -2,-0.7 4,-2.1 4,-0.1 5,-0.5 0.734 95.4 136.8 72.8 25.1 72.9 21.3 5.8 61 61 A G T 4> + 0 0 0 3,-0.2 5,-2.2 1,-0.2 7,-0.2 0.819 58.7 68.1 -70.9 -29.6 75.1 19.6 3.2 62 62 A H T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.873 113.8 27.5 -58.1 -39.3 72.2 19.2 0.8 63 63 A K T 45S+ 0 0 37 -3,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.789 140.2 11.7 -94.0 -31.8 72.0 22.9 0.2 64 64 A Y T X5S+ 0 0 46 -4,-2.1 4,-2.5 3,-0.1 5,-0.3 0.810 120.0 40.9-110.7 -73.7 75.6 24.0 0.9 65 65 A D H >5S+ 0 0 4 -5,-0.5 4,-2.7 1,-0.2 5,-0.2 0.860 114.5 47.1 -47.1 -53.7 78.5 21.4 1.2 66 66 A V H > S+ 0 0 16 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.836 116.7 54.8 -68.7 -26.7 76.9 21.5 -4.3 68 68 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -7,-0.2 5,-0.2 0.917 106.9 50.3 -69.9 -40.2 79.7 23.7 -3.1 69 69 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.884 108.9 51.7 -64.8 -38.6 82.1 20.8 -3.4 70 70 A T H X S+ 0 0 38 -4,-1.8 4,-1.2 2,-0.2 11,-0.3 0.913 114.6 43.8 -62.0 -42.9 81.0 20.1 -6.9 71 71 A K H X S+ 0 0 66 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.936 115.6 45.5 -67.9 -49.6 81.6 23.7 -7.8 72 72 A L H X>S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.6 0.802 107.5 59.2 -66.2 -29.8 85.0 24.0 -6.0 73 73 A A H X5S+ 0 0 0 -4,-2.1 6,-2.9 -5,-0.2 4,-1.0 0.880 110.2 42.9 -67.7 -35.9 86.2 20.7 -7.5 74 74 A K H X5S+ 0 0 92 -4,-1.2 4,-0.9 4,-0.3 -2,-0.2 0.947 119.4 42.3 -73.1 -49.7 85.7 22.1 -11.0 75 75 A L H <5S+ 0 0 108 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.937 125.2 30.3 -63.7 -51.9 87.2 25.5 -10.3 76 76 A Q H <5S+ 0 0 72 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.880 140.1 13.3 -80.1 -40.1 90.2 24.6 -8.1 77 77 A L H < - 0 0 40 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.443 14.9-127.7 -70.9 142.0 75.0 10.7 -5.3 85 85 A R G > S+ 0 0 42 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.872 106.9 60.9 -53.6 -41.0 71.8 11.7 -3.4 86 86 A E G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.647 101.4 53.9 -66.0 -13.4 71.3 8.2 -2.1 87 87 A N G < S+ 0 0 6 -3,-1.7 -31,-2.8 -32,-0.1 2,-0.4 0.500 94.7 87.4 -98.4 -1.7 74.7 8.4 -0.2 88 88 A C E < -d 56 0A 0 -3,-1.5 2,-0.3 -4,-0.4 -31,-0.2 -0.810 49.2-173.1-109.4 140.6 74.0 11.6 1.7 89 89 A I E -d 57 0A 0 -33,-2.5 -31,-2.5 -2,-0.4 2,-0.5 -0.920 9.2-156.9-121.4 145.9 72.3 12.3 5.0 90 90 A D E > -d 58 0A 2 -2,-0.3 4,-2.5 -33,-0.2 -31,-0.2 -0.939 9.2-162.3-130.4 111.7 71.6 15.8 6.3 91 91 A T H > S+ 0 0 0 -33,-2.3 4,-2.5 -2,-0.5 -32,-0.2 0.787 94.5 56.2 -61.8 -27.3 71.1 16.4 10.1 92 92 A L H > S+ 0 0 10 -34,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.944 109.3 45.6 -69.0 -45.5 69.4 19.7 9.4 93 93 A V H > S+ 0 0 17 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.909 114.9 49.6 -60.3 -44.0 66.8 17.9 7.2 94 94 A L H >X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 3,-0.6 0.898 110.2 47.7 -64.0 -43.5 66.5 15.2 9.9 95 95 A S H 3X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.846 107.7 56.8 -69.6 -29.4 66.0 17.6 12.8 96 96 A R H 3< S+ 0 0 16 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.713 113.1 42.1 -72.1 -19.4 63.4 19.6 10.9 97 97 A L H X< S+ 0 0 2 -4,-0.8 3,-0.9 -3,-0.6 -2,-0.2 0.888 120.0 40.2 -89.2 -50.1 61.5 16.3 10.5 98 98 A I H 3< S+ 0 0 15 -4,-3.0 2,-0.3 1,-0.3 3,-0.2 0.947 127.9 31.8 -63.6 -52.3 62.0 15.0 14.1 99 99 A H T >< S+ 0 0 48 -4,-2.5 3,-2.2 -5,-0.2 -1,-0.3 -0.370 73.3 145.8-103.1 50.9 61.5 18.3 15.8 100 100 A S T < + 0 0 16 -3,-0.9 -1,-0.2 -2,-0.3 305,-0.1 0.619 66.0 66.9 -63.3 -12.8 59.0 19.8 13.3 101 101 A N T 3 S+ 0 0 76 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.542 93.7 74.5 -84.5 -8.7 57.3 21.5 16.2 102 102 A L S < S- 0 0 59 -3,-2.2 2,-0.2 15,-0.1 17,-0.1 -0.699 73.6-131.9-107.0 158.8 60.3 23.8 16.8 103 103 A K - 0 0 92 15,-0.7 17,-0.4 13,-0.4 2,-0.3 -0.470 19.9-164.3 -96.1 171.3 61.7 26.8 14.9 104 104 A D - 0 0 44 -2,-0.2 20,-0.1 15,-0.1 15,-0.0 -0.964 33.2-111.1-152.7 161.6 65.4 27.3 13.8 105 105 A T >> - 0 0 8 -2,-0.3 5,-2.1 4,-0.1 4,-1.4 0.285 49.3-118.5 -80.5 11.0 67.5 30.2 12.7 106 106 A D T >45S- 0 0 17 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.941 81.3 -43.3 48.6 53.4 67.8 28.7 9.2 107 107 A M T 345S- 0 0 60 1,-0.2 -1,-0.2 16,-0.1 17,-0.0 0.888 114.0 -50.4 59.3 45.0 71.6 28.5 9.7 108 108 A G T 345S+ 0 0 40 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.579 109.8 117.1 75.3 9.2 71.8 31.9 11.3 109 109 A L T <<5S+ 0 0 103 -4,-1.4 2,-0.3 -3,-0.8 -3,-0.2 0.710 73.8 55.0 -78.6 -19.9 69.9 33.7 8.5 110 110 A L S > - 0 0 157 -2,-0.3 3,-1.7 1,-0.2 4,-0.7 -0.625 25.4-150.0 -73.2 116.5 67.8 36.4 14.4 112 112 A S G >4 S+ 0 0 37 -2,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.871 93.3 61.5 -57.1 -41.3 67.4 33.7 17.1 113 113 A G G 34 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.590 101.8 55.5 -63.8 -8.4 66.1 36.2 19.7 114 114 A K G <4 S+ 0 0 141 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.684 87.4 92.9 -95.7 -23.4 63.2 36.9 17.3 115 115 A L S << S- 0 0 30 -3,-1.1 2,-0.1 -4,-0.7 -10,-0.0 -0.439 73.3-126.9 -74.6 143.1 61.9 33.3 17.0 116 116 A P + 0 0 85 0, 0.0 -13,-0.4 0, 0.0 -1,-0.1 -0.500 67.6 15.9 -87.3 160.2 59.2 32.0 19.3 117 117 A G S S- 0 0 75 -2,-0.1 2,-0.1 -15,-0.1 -15,-0.1 -0.125 99.6 -46.9 74.2-173.9 59.5 28.8 21.4 118 124 A A - 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0 0 127 -6,-0.2 -5,-3.1 1,-0.1 -1,-0.3 -0.536 60.7 -99.3 -82.2 147.6 65.5 31.6 -27.5 445 468 A P B -S 438 0L 62 0, 0.0 -7,-0.2 0, 0.0 -10,-0.2 -0.253 36.9-123.8 -62.5 148.7 63.0 32.1 -24.6 446 469 A W - 0 0 5 -9,-1.6 2,-0.3 -12,-1.2 182,-0.2 -0.452 21.9-121.6 -89.3 167.8 62.1 29.1 -22.5 447 470 A V E -T 627 0M 24 180,-3.6 180,-3.9 -2,-0.1 2,-0.4 -0.806 17.9-130.6-111.6 154.5 58.5 28.0 -21.9 448 471 A Q E -TU 626 664M 0 216,-3.0 216,-2.3 -2,-0.3 2,-0.5 -0.865 12.7-166.7-112.2 138.2 56.6 27.6 -18.6 449 472 A A E -TU 625 663M 0 176,-2.5 176,-3.1 -2,-0.4 2,-0.5 -0.986 9.2-170.0-120.9 122.2 54.6 24.7 -17.4 450 473 A G E -TU 624 662M 4 212,-3.4 212,-2.7 -2,-0.5 2,-0.4 -0.960 4.5-178.3-117.2 127.5 52.4 25.2 -14.4 451 474 A I E -TU 623 661M 1 172,-2.2 172,-2.3 -2,-0.5 2,-0.4 -0.988 1.3-176.7-128.4 135.8 50.6 22.4 -12.6 452 475 A D E -TU 622 660M 28 208,-2.5 208,-2.1 -2,-0.4 170,-0.2 -0.992 30.2-115.9-134.1 130.6 48.3 22.7 -9.6 453 476 A A E > - U 0 659M 7 168,-2.5 3,-0.7 -2,-0.4 2,-0.3 -0.421 38.6-119.5 -63.7 131.8 46.6 19.9 -7.5 454 477 A S T 3 S- 0 0 32 204,-1.7 204,-0.4 1,-0.2 5,-0.2 -0.584 78.3 -24.0 -80.6 130.7 42.8 20.2 -7.9 455 478 A G T >> S+ 0 0 8 -2,-0.3 4,-2.0 3,-0.1 3,-0.8 0.802 84.6 176.4 37.8 41.8 40.7 20.7 -4.8 456 479 A L H X> + 0 0 14 -3,-0.7 4,-1.4 1,-0.2 3,-0.6 0.862 66.8 36.6 -39.1 -70.6 43.6 19.2 -2.8 457 480 A E H 3> S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.693 114.4 56.0 -67.0 -17.9 42.5 19.6 0.8 458 481 A L H <> S+ 0 0 2 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.816 107.1 50.8 -80.3 -29.9 38.8 18.9 0.1 459 482 A R H < S+ 0 0 29 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.934 113.7 40.5 -50.9 -56.7 39.6 10.4 1.9 464 487 A F H 3< S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.636 113.4 55.0 -71.9 -14.8 39.3 10.6 5.7 465 488 A M H >X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.5 3,-1.2 0.540 83.2 90.2 -93.1 -8.5 35.5 10.8 5.5 466 489 A A H < S- 0 0 15 -4,-2.7 3,-1.4 -7,-0.2 -3,-0.2 0.270 98.3-119.1-113.8 12.4 30.2 8.0 4.3 470 493 A N T 3< S- 0 0 132 -4,-2.0 -4,-0.2 -5,-0.3 -3,-0.1 0.752 74.8 -54.9 57.3 27.8 31.4 5.0 2.2 471 494 A G T 3> S+ 0 0 17 -6,-0.2 4,-1.9 -5,-0.2 -1,-0.2 0.593 98.0 133.1 85.7 11.3 33.0 7.3 -0.4 472 495 A E H <> S+ 0 0 117 -3,-1.4 4,-3.0 2,-0.2 5,-0.2 0.951 79.4 39.7 -60.0 -50.7 29.9 9.4 -1.2 473 496 A Y H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 111.8 57.0 -65.5 -42.6 31.7 12.7 -0.9 474 497 A A H 4 S+ 0 0 9 -12,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.856 115.0 40.8 -55.4 -34.6 34.8 11.3 -2.7 475 498 A H H >< S+ 0 0 147 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.895 115.1 47.1 -80.9 -45.1 32.5 10.4 -5.5 476 499 A E H >< S+ 0 0 58 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.793 102.1 65.9 -69.9 -25.8 30.3 13.6 -5.6 477 500 A I T 3< S+ 0 0 3 -4,-2.8 5,-0.4 1,-0.3 -1,-0.2 0.710 95.0 59.5 -68.3 -18.7 33.4 15.8 -5.4 478 501 A L T < S+ 0 0 69 -3,-1.0 2,-1.4 -4,-0.2 -1,-0.3 0.418 78.0 100.7 -89.5 1.8 34.4 14.5 -8.9 479 502 A N S < S- 0 0 119 -3,-1.6 -1,-0.1 -4,-0.1 2,-0.1 -0.663 103.7 -46.3 -90.0 83.5 31.2 15.8 -10.4 480 503 A G S S- 0 0 58 -2,-1.4 2,-0.5 4,-0.0 3,-0.0 -0.228 106.3 -28.9 81.1-178.6 32.4 19.0 -12.1 481 504 A D > - 0 0 64 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.596 55.8-149.4 -73.7 122.7 34.6 21.5 -10.3 482 505 A I H > S+ 0 0 8 -2,-0.5 4,-1.8 -5,-0.4 -1,-0.1 0.847 94.1 47.0 -60.7 -38.6 33.9 21.3 -6.6 483 506 A H H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 113.8 46.5 -72.9 -39.8 34.7 25.0 -5.9 484 507 A T H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 112.6 52.2 -68.0 -36.5 32.7 26.3 -8.8 485 508 A K H X S+ 0 0 63 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.882 112.4 44.7 -66.3 -37.7 29.9 24.0 -7.7 486 509 A N H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.865 107.0 59.7 -73.0 -36.6 30.2 25.5 -4.2 487 510 A Q H X>S+ 0 0 44 -4,-2.5 5,-2.4 1,-0.2 4,-0.7 0.935 107.8 46.1 -55.5 -47.8 30.3 29.0 -5.5 488 511 A I H ><5S+ 0 0 123 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.946 113.5 47.4 -61.2 -50.6 26.9 28.5 -7.2 489 512 A A H 3<5S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 117.2 43.1 -61.4 -35.7 25.3 26.9 -4.1 490 513 A A H 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.496 106.9-128.4 -88.9 -4.4 26.7 29.7 -1.8 491 514 A E T <<5 + 0 0 148 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.884 49.2 166.0 59.3 40.9 25.8 32.4 -4.3 492 515 A L < - 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