==== 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/DNA 24-SEP-97 1T7P . COMPND 2 MOLECULE: DNA (5'-D(P*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*2DA)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.DOUBLIE,S.TABOR,A.M.LONG,C.C.RICHARDSON,T.ELLENBERGER . 767 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 11.3 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 . 42 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 37.2 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 2 3 2 0 1 2 2 1 0 1 0 0 1 0 1 1 2 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 3 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 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 20 0, 0.0 25,-2.4 0, 0.0 26,-0.4 0.000 360.0 360.0 360.0 136.0 79.7 6.9 7.6 2 2 A I E -Ab 25 56A 3 53,-2.1 55,-2.6 23,-0.2 2,-0.4 -0.942 360.0-145.5-132.3 151.7 81.5 10.2 8.0 3 3 A V E +Ab 24 57A 0 21,-2.3 21,-2.8 -2,-0.3 2,-0.3 -0.980 31.9 169.4-117.2 131.9 80.4 13.6 9.4 4 4 A S E -A 23 0A 0 53,-3.2 55,-0.3 -2,-0.4 2,-0.3 -0.910 20.9-178.4-143.4 169.4 81.9 16.7 7.6 5 5 A D E -A 22 0A 17 17,-1.5 17,-2.0 -2,-0.3 2,-0.3 -0.962 12.4-149.6-164.2 147.2 81.8 20.5 7.2 6 6 A I E -A 21 0A 5 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.842 5.8-149.2-123.6 162.5 83.5 23.1 5.1 7 7 A E E +A 20 0A 16 13,-2.8 12,-2.8 -2,-0.3 13,-1.8 -0.997 27.3 169.1-127.9 128.8 84.5 26.8 5.5 8 8 A A E -A 18 0A 6 -2,-0.4 10,-0.2 10,-0.2 148,-0.1 -0.887 45.1-100.2-136.1 170.6 84.6 28.9 2.3 9 9 A N S S- 0 0 32 8,-2.3 2,-0.3 -2,-0.3 145,-0.1 0.503 90.7 -7.4 -73.3 -6.9 84.9 32.6 1.4 10 10 A A S S- 0 0 32 7,-0.2 5,-0.1 145,-0.0 -2,-0.1 -0.982 84.6 -62.0-170.6 178.2 81.2 33.4 0.7 11 11 A L >> - 0 0 91 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.257 64.1 -93.7 -67.6 164.6 77.7 32.2 0.2 12 12 A L G >4 S+ 0 0 22 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.835 120.0 65.5 -48.9 -42.8 77.0 29.8 -2.6 13 13 A E G 34 S+ 0 0 141 1,-0.2 -1,-0.2 368,-0.0 -2,-0.0 0.802 123.9 11.9 -52.5 -36.2 76.0 32.5 -5.1 14 14 A S G <4 S+ 0 0 76 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.187 85.6 140.5-133.0 19.6 79.5 34.0 -5.1 15 15 A V << + 0 0 0 -4,-1.0 3,-0.1 -3,-0.6 -4,-0.0 -0.422 9.7 158.9 -67.5 133.8 81.8 31.5 -3.4 16 16 A T + 0 0 79 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.354 55.0 55.4-135.2 -1.2 85.2 31.2 -5.1 17 17 A K - 0 0 109 -7,-0.1 -8,-2.3 58,-0.0 2,-0.5 -0.960 59.1-148.6-147.5 128.3 87.5 29.7 -2.4 18 18 A F E +A 8 0A 2 -2,-0.3 -10,-0.2 -10,-0.2 21,-0.1 -0.766 18.9 179.2 -87.5 125.5 87.5 26.7 -0.2 19 19 A H E - 0 0 7 -12,-2.8 2,-0.3 -2,-0.5 -11,-0.2 0.860 55.6 -32.7 -95.1 -50.6 89.3 27.6 3.1 20 20 A C E -A 7 0A 0 -13,-1.8 -13,-2.8 15,-0.2 -1,-0.4 -0.985 48.5-161.2-165.1 167.2 89.1 24.4 5.1 21 21 A G E -AC 6 34A 0 13,-2.1 13,-2.4 -2,-0.3 2,-0.4 -0.978 7.3-149.9-153.4 159.2 87.1 21.3 5.9 22 22 A V E -AC 5 33A 0 -17,-2.0 -17,-1.5 -2,-0.3 2,-0.4 -0.995 6.9-165.4-137.1 142.9 86.9 18.6 8.6 23 23 A I E -AC 4 32A 10 9,-2.1 9,-2.1 -2,-0.4 2,-0.5 -0.997 5.6-164.3-132.5 130.6 85.9 15.0 8.4 24 24 A Y E -AC 3 31A 23 -21,-2.8 -21,-2.3 -2,-0.4 2,-0.6 -0.969 14.1-157.9-111.2 123.2 85.0 12.6 11.3 25 25 A D E >>> -AC 2 30A 29 5,-1.9 4,-2.4 -2,-0.5 5,-0.8 -0.916 12.1-157.7-108.3 121.2 85.1 9.0 10.2 26 26 A Y T 345S+ 0 0 41 -25,-2.4 -1,-0.1 -2,-0.6 -24,-0.1 0.761 92.6 60.2 -64.6 -25.9 83.1 6.5 12.3 27 27 A S T 345S+ 0 0 94 -26,-0.4 -1,-0.2 1,-0.2 -25,-0.1 0.735 121.0 23.2 -75.0 -25.1 85.3 3.6 11.1 28 28 A T T <45S- 0 0 82 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.551 95.6-136.5-112.4 -17.8 88.5 5.1 12.6 29 29 A A T <5 + 0 0 63 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.811 63.2 119.7 61.6 35.1 86.9 7.3 15.2 30 30 A E E < -C 25 0A 130 -5,-0.8 -5,-1.9 2,-0.0 2,-0.4 -0.908 60.8-127.8-130.6 156.8 89.2 10.2 14.4 31 31 A Y E -C 24 0A 89 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.833 20.5-166.7-102.0 139.7 89.0 13.8 13.1 32 32 A V E -C 23 0A 65 -9,-2.1 -9,-2.1 -2,-0.4 2,-0.3 -0.998 7.6-150.5-129.9 126.7 91.0 14.9 10.1 33 33 A S E -C 22 0A 44 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.735 4.4-160.8 -98.5 147.7 91.5 18.6 9.2 34 34 A Y E -C 21 0A 30 -13,-2.4 -13,-2.1 -2,-0.3 5,-0.0 -0.989 6.9-161.5-131.2 119.8 92.0 19.9 5.7 35 35 A R > - 0 0 88 -2,-0.4 3,-2.6 -15,-0.2 -15,-0.2 -0.318 45.7 -78.1 -89.8 176.4 93.5 23.3 5.1 36 36 A P G > S+ 0 0 51 0, 0.0 3,-0.9 0, 0.0 -18,-0.1 0.824 132.3 48.4 -47.7 -37.5 93.3 25.4 1.8 37 37 A S G 3 S+ 0 0 113 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.482 103.2 65.2 -82.8 -0.4 96.0 23.4 0.0 38 38 A D G <> + 0 0 61 -3,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.130 65.7 110.6-104.6 17.4 94.3 20.1 1.1 39 39 A F H <> S+ 0 0 5 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.934 78.7 48.3 -57.2 -50.4 91.2 20.7 -1.0 40 40 A G H > S+ 0 0 19 1,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.893 112.4 48.9 -58.0 -42.5 92.0 17.9 -3.4 41 41 A A H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 110.2 52.2 -64.7 -38.9 92.7 15.5 -0.5 42 42 A Y H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.940 110.1 47.4 -62.1 -49.8 89.4 16.6 1.1 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.869 109.3 54.6 -59.2 -41.3 87.4 15.9 -2.0 44 44 A D H X S+ 0 0 83 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.920 105.0 53.9 -59.7 -44.8 89.2 12.5 -2.4 45 45 A A H X S+ 0 0 25 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.855 108.3 49.3 -59.3 -37.8 88.1 11.5 1.1 46 46 A L H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.902 111.8 47.3 -70.4 -41.2 84.5 12.2 0.3 47 47 A E H X S+ 0 0 73 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.821 105.8 59.8 -68.7 -31.0 84.5 10.2 -2.9 48 48 A A H X S+ 0 0 39 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.888 105.5 48.9 -63.5 -37.8 86.2 7.3 -1.1 49 49 A E H <>S+ 0 0 5 -4,-1.3 5,-2.3 1,-0.2 3,-0.4 0.872 111.4 49.0 -67.8 -40.0 83.2 7.2 1.2 50 50 A V H ><5S+ 0 0 33 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.884 105.3 59.4 -66.3 -38.1 80.9 7.2 -1.8 51 51 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 102.1 53.1 -62.7 -26.5 82.9 4.4 -3.4 52 52 A R T 3<5S- 0 0 147 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.392 119.4-110.8 -88.1 0.1 82.3 2.1 -0.3 53 53 A G T < 5S+ 0 0 22 -3,-1.8 144,-2.1 1,-0.1 145,-0.3 0.835 76.6 139.1 72.0 30.1 78.5 2.7 -0.8 54 54 A G < - 0 0 6 -5,-2.3 2,-0.3 142,-0.2 -1,-0.1 -0.011 49.5 -98.2 -92.0-160.8 78.7 4.7 2.5 55 55 A L - 0 0 0 140,-0.1 -53,-2.1 138,-0.1 2,-0.4 -0.955 14.7-156.8-131.9 146.8 77.3 7.9 3.8 56 56 A I E -bd 2 88A 0 31,-2.8 33,-2.5 -2,-0.3 2,-0.5 -0.980 14.8-156.5-121.4 125.9 78.3 11.6 4.3 57 57 A V E +bd 3 89A 0 -55,-2.6 -53,-3.2 -2,-0.4 2,-0.3 -0.896 18.2 164.6-110.4 129.8 76.6 13.8 6.9 58 58 A F E - d 0 90A 1 31,-2.4 33,-2.3 -2,-0.5 2,-0.6 -0.849 38.2-124.7-131.3 165.1 76.5 17.6 6.8 59 59 A H S S- 0 0 7 -55,-0.3 6,-0.1 -2,-0.3 31,-0.1 -0.964 104.3 -7.8-115.5 103.3 74.4 20.2 8.6 60 60 A N S >>S+ 0 0 25 -2,-0.6 4,-1.7 4,-0.1 5,-0.7 0.763 94.3 138.3 77.5 32.0 72.8 22.1 5.8 61 61 A G T 4> + 0 0 0 3,-0.2 5,-2.3 2,-0.2 7,-0.2 0.849 60.2 63.0 -73.9 -34.3 74.9 20.3 3.2 62 62 A H T 45S+ 0 0 2 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.901 115.6 30.7 -57.5 -42.6 72.1 19.9 0.7 63 63 A K T 45S+ 0 0 41 3,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.772 140.8 6.8 -88.3 -29.3 71.7 23.6 0.3 64 64 A Y T X5S+ 0 0 42 -4,-1.7 4,-2.7 3,-0.1 -3,-0.2 0.781 120.9 43.0-117.8 -71.1 75.3 24.7 0.9 65 65 A D H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.877 115.0 56.7 -63.5 -34.9 76.7 22.4 -4.3 68 68 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -7,-0.2 5,-0.2 0.914 105.4 50.3 -61.3 -43.9 79.5 24.6 -3.0 69 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.841 109.4 51.0 -64.4 -34.8 82.0 21.7 -3.3 70 70 A T H X S+ 0 0 37 -4,-1.5 4,-1.4 2,-0.2 11,-0.3 0.915 113.7 44.9 -67.7 -44.5 80.9 21.1 -6.9 71 71 A K H X S+ 0 0 66 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.952 117.5 43.6 -64.0 -50.8 81.3 24.8 -7.8 72 72 A L H X>S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.6 0.789 107.4 58.8 -66.2 -34.8 84.7 25.1 -6.0 73 73 A A H X>S+ 0 0 0 -4,-2.1 6,-1.6 -5,-0.2 4,-1.2 0.899 111.7 42.1 -63.5 -39.6 86.1 21.8 -7.4 74 74 A K H <5S+ 0 0 103 -4,-1.4 4,-0.4 4,-0.3 -2,-0.2 0.882 119.0 43.8 -73.4 -41.6 85.6 23.1 -11.0 75 75 A L H <5S+ 0 0 102 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.926 126.6 26.6 -70.6 -49.1 86.9 26.7 -10.3 76 76 A Q H <5S+ 0 0 65 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.829 139.7 18.6 -85.7 -37.1 89.9 25.9 -8.2 77 77 A L T < - 0 0 41 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.450 15.3-125.6 -69.3 144.3 75.1 11.4 -5.3 85 85 A R G > S+ 0 0 47 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.879 107.7 59.8 -54.1 -43.2 71.9 12.3 -3.5 86 86 A E G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.590 101.0 53.4 -65.1 -15.6 71.6 8.8 -2.0 87 87 A N G < S+ 0 0 5 -3,-1.5 -31,-2.8 -32,-0.1 2,-0.4 0.409 95.7 90.9 -99.0 0.9 75.0 9.1 -0.2 88 88 A C E < -d 56 0A 0 -3,-1.6 2,-0.4 -4,-0.3 -31,-0.2 -0.814 48.8-175.2-108.6 141.8 74.1 12.3 1.6 89 89 A I E -d 57 0A 0 -33,-2.5 -31,-2.4 -2,-0.4 2,-0.5 -0.965 8.4-159.0-128.9 140.9 72.5 13.1 4.9 90 90 A D E > -d 58 0A 2 -2,-0.4 4,-2.5 -33,-0.2 -31,-0.2 -0.958 8.3-163.4-126.0 113.8 71.5 16.5 6.3 91 91 A T H > S+ 0 0 0 -33,-2.3 4,-2.4 -2,-0.5 -32,-0.2 0.766 94.4 56.4 -65.0 -25.6 71.0 17.0 10.1 92 92 A L H > S+ 0 0 10 -34,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.904 109.2 45.8 -71.4 -41.5 69.2 20.2 9.5 93 93 A V H > S+ 0 0 17 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.929 115.1 48.1 -64.3 -44.9 66.7 18.4 7.3 94 94 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.878 111.6 49.4 -62.7 -40.6 66.5 15.6 10.0 95 95 A S H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.864 108.0 53.5 -67.1 -38.7 66.0 18.1 12.8 96 96 A R H < S+ 0 0 17 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.727 114.2 42.9 -69.6 -22.2 63.2 19.9 10.8 97 97 A L H >< S+ 0 0 2 -4,-1.1 3,-1.0 -3,-0.2 -2,-0.2 0.927 121.7 36.2 -84.4 -56.7 61.4 16.6 10.4 98 98 A I H 3< S+ 0 0 17 -4,-2.6 3,-0.2 1,-0.3 2,-0.2 0.901 127.2 37.6 -64.4 -44.5 61.9 15.2 14.0 99 99 A H T >< S+ 0 0 47 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.3 -0.355 75.3 142.4-104.3 49.0 61.5 18.6 15.8 100 100 A S T < + 0 0 13 -3,-1.0 -1,-0.2 1,-0.3 298,-0.1 0.676 64.7 63.2 -61.8 -22.3 58.8 19.8 13.4 101 101 A N T 3 S+ 0 0 69 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.646 96.4 74.2 -78.2 -17.1 57.0 21.5 16.3 102 102 A L S < S- 0 0 55 -3,-1.5 17,-0.1 1,-0.1 15,-0.1 -0.663 73.6-131.1-102.3 155.5 60.0 23.8 16.8 103 103 A K - 0 0 92 15,-0.6 17,-0.4 13,-0.4 2,-0.3 -0.283 19.4-163.4 -88.6 177.8 61.4 26.9 15.0 104 104 A D - 0 0 43 15,-0.1 20,-0.0 -2,-0.1 15,-0.0 -0.960 32.7-110.1-158.3 159.9 65.0 27.5 13.9 105 105 A T >> - 0 0 7 -2,-0.3 5,-2.7 18,-0.1 4,-1.0 0.320 48.9-117.8 -80.3 10.5 67.1 30.5 12.8 106 106 A D T >45S- 0 0 19 1,-0.2 3,-0.9 2,-0.2 -1,-0.0 0.947 80.7 -45.0 49.0 53.9 67.4 29.2 9.2 107 107 A M T 345S- 0 0 58 1,-0.2 -1,-0.2 2,-0.1 17,-0.0 0.877 113.9 -48.1 56.9 48.4 71.2 29.1 9.7 108 108 A G T 345S+ 0 0 39 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.462 113.5 110.9 77.9 3.4 71.4 32.5 11.4 109 109 A L T <<5 + 0 0 112 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.795 69.1 64.4 -77.4 -28.9 69.4 34.4 8.8 110 110 A L S > - 0 0 180 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 -0.485 26.9-144.0 -62.9 120.2 66.6 36.9 14.5 112 112 A S T 34 S+ 0 0 36 -2,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.813 96.2 50.5 -57.2 -34.2 66.8 34.4 17.4 113 113 A G T 34 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.674 99.6 61.2 -81.2 -20.4 64.6 36.5 19.6 114 114 A K T <4 S+ 0 0 154 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.579 87.2 96.8 -81.1 -9.8 61.7 37.1 17.2 115 115 A L S < S- 0 0 31 -4,-0.5 2,-0.1 -3,-0.5 -10,-0.0 -0.655 73.3-130.2 -86.1 132.4 61.1 33.3 17.1 116 116 A P + 0 0 82 0, 0.0 -13,-0.4 0, 0.0 -2,-0.1 -0.363 64.2 4.9 -77.2 158.0 58.4 31.8 19.3 117 117 A G S S- 0 0 74 -15,-0.1 2,-0.2 -2,-0.1 -15,-0.1 -0.101 99.8 -36.9 69.2-164.1 59.0 28.8 21.6 118 124 A A - 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0 0 4 -49,-0.4 -1,-0.1 -2,-0.3 -47,-0.1 -0.244 40.8-165.8 -53.9 134.5 48.8 63.3 7.7 305 335 A N > - 0 0 70 1,-0.1 3,-1.5 -54,-0.1 7,-0.3 -0.954 13.7-165.0-129.8 109.2 50.1 59.8 6.9 306 336 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.641 89.8 64.7 -66.6 -18.3 47.5 57.5 5.2 307 337 A S T 3 S+ 0 0 52 52,-0.0 2,-0.2 2,-0.0 3,-0.0 0.580 88.6 82.5 -80.3 -12.7 49.8 54.5 6.0 308 338 A S < - 0 0 31 -3,-1.5 4,-0.4 1,-0.1 -3,-0.0 -0.608 66.6-155.6 -87.4 155.0 49.2 55.1 9.8 309 339 A R S > S+ 0 0 116 -2,-0.2 4,-0.9 2,-0.1 -1,-0.1 0.513 93.0 59.1-106.1 -9.0 46.1 53.7 11.3 310 340 A D H > S+ 0 0 106 2,-0.2 4,-2.7 3,-0.1 5,-0.1 0.893 102.9 48.3 -81.9 -49.2 46.2 56.4 14.1 311 341 A H H > S+ 0 0 27 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.896 113.0 48.6 -59.1 -45.3 46.0 59.4 11.8 312 342 A I H > S+ 0 0 1 -4,-0.4 4,-2.5 -7,-0.3 -1,-0.2 0.884 113.4 48.1 -61.0 -43.0 43.0 58.0 9.8 313 343 A Q H X S+ 0 0 38 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.913 113.0 48.2 -64.2 -44.3 41.3 57.2 13.2 314 344 A K H X S+ 0 0 57 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.981 116.1 42.1 -60.0 -60.2 42.0 60.7 14.5 315 345 A K H < S+ 0 0 26 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.833 114.6 49.9 -58.4 -40.4 40.8 62.5 11.3 316 346 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 3,-0.4 0.846 112.2 47.2 -71.7 -32.4 37.7 60.3 10.8 317 347 A Q H ><5S+ 0 0 77 -4,-1.9 3,-1.4 -3,-0.3 -2,-0.2 0.813 106.6 57.2 -76.5 -29.5 36.6 60.7 14.4 318 348 A E T 3<5S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.600 107.1 52.6 -73.0 -10.3 37.1 64.4 14.2 319 349 A A T 3 5S- 0 0 23 -3,-0.4 26,-0.6 -4,-0.3 27,-0.3 0.267 132.8 -88.5-105.4 4.0 34.7 64.1 11.3 320 350 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.297 73.7 147.6 109.9 -11.9 32.0 62.3 13.3 321 351 A W < - 0 0 24 -5,-2.4 -1,-0.3 -6,-0.1 23,-0.1 -0.376 31.6-157.6 -62.8 132.4 32.9 58.6 12.9 322 352 A V - 0 0 114 21,-0.2 21,-0.1 -2,-0.1 -1,-0.1 -0.939 19.4-131.1-114.1 104.4 31.9 56.5 16.0 323 353 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 11,-0.1 -0.272 22.4-175.2 -57.9 136.5 34.0 53.3 16.1 324 354 A T + 0 0 134 1,-0.2 2,-0.3 9,-0.2 14,-0.0 0.866 67.9 43.0 -96.2 -59.0 32.1 50.0 16.6 325 355 A K - 0 0 93 8,-0.2 8,-2.2 7,-0.0 2,-0.2 -0.726 67.5-176.0 -97.5 140.0 34.9 47.4 16.9 326 356 A Y E -M 332 0I 128 -2,-0.3 2,-0.3 6,-0.3 -2,-0.0 -0.737 23.9-108.9-124.9 172.4 38.1 47.9 18.8 327 357 A T E >> -M 331 0I 61 4,-2.4 2,-2.2 -2,-0.2 4,-0.7 -0.767 37.9-100.7-104.6 152.0 41.3 45.9 19.4 328 358 A D T 34 S+ 0 0 176 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.491 114.0 44.9 -73.5 80.1 42.4 44.2 22.7 329 359 A K T 34 S- 0 0 209 -2,-2.2 -1,-0.2 2,-0.0 -3,-0.0 -0.081 126.7 -70.0-178.3 -53.7 44.8 46.9 23.8 330 360 A G T <4 S+ 0 0 69 -3,-0.6 -2,-0.1 1,-0.3 -4,-0.0 0.444 91.4 104.3 140.8 59.0 43.0 50.3 23.3 331 361 A A E < -M 327 0I 34 -4,-0.7 -4,-2.4 -18,-0.0 -1,-0.3 -0.911 65.4-113.9-160.6 128.8 42.7 51.1 19.6 332 362 A P E -M 326 0I 24 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.327 42.1-102.2 -64.9 146.3 39.7 51.1 17.2 333 363 A V - 0 0 20 -8,-2.2 2,-0.5 1,-0.1 -8,-0.2 -0.609 40.0-177.7 -72.0 117.0 40.0 48.6 14.4 334 364 A V + 0 0 13 -2,-0.5 2,-0.2 4,-0.1 -1,-0.1 -0.726 30.4 127.3-118.3 77.0 41.0 50.5 11.2 335 365 A D S > S- 0 0 43 -2,-0.5 4,-2.3 -26,-0.0 3,-0.3 -0.672 77.1 -85.4-120.1-179.8 41.1 47.9 8.4 336 366 A D H > S+ 0 0 91 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.787 123.7 59.5 -59.2 -28.6 39.5 47.7 5.0 337 367 A E H > S+ 0 0 97 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.944 111.2 37.5 -64.7 -51.4 36.3 46.2 6.5 338 368 A V H >> S+ 0 0 22 -3,-0.3 4,-1.3 2,-0.2 3,-0.8 0.905 114.0 56.1 -69.0 -40.6 35.6 49.2 8.8 339 369 A L H 3< S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.881 104.2 53.9 -58.3 -40.2 36.7 51.8 6.2 340 370 A E H 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.777 116.2 39.8 -66.2 -25.1 34.2 50.4 3.7 341 371 A G H << S+ 0 0 49 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.518 85.8 116.1-102.4 -8.1 31.5 50.9 6.3 342 372 A V < - 0 0 2 -4,-1.3 2,-0.4 -3,-0.4 11,-0.1 -0.423 44.1-169.0 -65.4 132.3 32.6 54.2 7.8 343 373 A R + 0 0 153 -2,-0.1 -21,-0.2 -21,-0.1 2,-0.1 -0.983 12.9 163.2-130.3 121.2 30.0 57.0 7.2 344 374 A V - 0 0 19 -2,-0.4 -24,-0.1 2,-0.1 -27,-0.0 -0.321 38.8-119.3-114.1-160.5 30.6 60.7 7.9 345 375 A D S S+ 0 0 147 -26,-0.6 -1,-0.1 -2,-0.1 -25,-0.1 0.767 83.1 85.7-112.3 -48.9 28.8 63.9 6.7 346 376 A D > - 0 0 70 -27,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.401 68.0-147.6 -60.0 119.5 31.3 65.9 4.7 347 377 A P H > S+ 0 0 100 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.831 95.4 53.9 -59.5 -34.7 31.2 64.6 1.1 348 378 A E H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -94,-0.1 0.905 111.5 43.6 -67.9 -42.5 34.9 65.4 0.6 349 379 A K H > S+ 0 0 56 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.854 111.4 54.4 -70.8 -34.2 36.0 63.5 3.6 350 380 A Q H < S+ 0 0 46 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.868 111.1 46.5 -65.4 -36.7 33.7 60.6 2.8 351 381 A A H >X S+ 0 0 52 -4,-1.7 4,-0.9 1,-0.2 3,-0.8 0.792 103.7 62.6 -75.0 -30.2 35.3 60.5 -0.7 352 382 A A H 3X S+ 0 0 1 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.772 90.4 68.5 -66.5 -26.1 38.8 60.7 0.9 353 383 A I H 3X S+ 0 0 1 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.832 98.8 49.9 -62.3 -33.5 38.1 57.3 2.6 354 384 A D H <> S+ 0 0 82 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.833 107.5 53.2 -74.4 -31.2 38.2 55.6 -0.8 355 385 A L H X S+ 0 0 35 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.852 109.0 51.1 -69.5 -34.3 41.5 57.4 -1.5 356 386 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 109.4 48.9 -67.6 -46.0 42.8 55.9 1.8 357 387 A K H X S+ 0 0 26 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.871 114.5 46.2 -62.1 -37.9 41.7 52.4 0.9 358 388 A E H X S+ 0 0 64 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.912 110.8 52.7 -70.6 -42.4 43.4 52.7 -2.5 359 389 A Y H X S+ 0 0 13 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.892 105.2 54.6 -59.8 -43.8 46.5 54.2 -1.0 360 390 A L H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.901 112.2 43.4 -59.9 -40.8 46.9 51.3 1.4 361 391 A M H X S+ 0 0 35 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.912 110.7 55.4 -70.9 -41.2 46.7 48.8 -1.4 362 392 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.937 110.6 46.2 -55.4 -45.3 49.1 50.9 -3.5 363 393 A Q H X S+ 0 0 46 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.840 107.0 57.7 -65.5 -35.8 51.6 50.8 -0.6 364 394 A K H X S+ 0 0 134 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.914 111.7 41.6 -60.9 -43.8 51.1 47.0 -0.2 365 395 A R H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.879 114.7 51.1 -71.7 -40.1 52.1 46.5 -3.9 366 396 A I H X>S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-2.5 0.913 110.8 48.8 -64.9 -42.8 55.0 49.0 -3.6 367 397 A G H <>S+ 0 0 21 -4,-2.8 5,-1.7 4,-0.2 -1,-0.2 0.891 115.9 42.0 -64.9 -41.8 56.4 47.4 -0.5 368 398 A Q H <5S+ 0 0 40 -4,-1.7 8,-1.7 -5,-0.2 -2,-0.2 0.896 123.8 36.1 -73.3 -40.1 56.3 43.8 -1.9 369 399 A S H <5S- 0 0 0 -4,-2.4 8,-2.3 6,-0.2 -2,-0.2 0.889 137.6 -11.5 -82.2 -41.8 57.6 44.7 -5.3 370 400 A A T <5S+ 0 0 7 -4,-2.5 -3,-0.2 -5,-0.3 5,-0.1 0.748 123.2 41.8-130.8 -44.2 60.1 47.5 -4.7 371 401 A E T - 0 0 0 -3,-1.6 3,-1.3 -5,-0.1 4,-0.9 -0.256 55.4-121.3 -60.9 143.9 61.2 43.5 -2.2 376 406 A W H >> S+ 0 0 3 -8,-1.7 3,-1.0 1,-0.3 4,-0.6 0.878 112.5 55.6 -50.5 -47.2 61.5 41.6 -5.5 377 407 A L H 34 S+ 0 0 37 -8,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.735 107.3 50.1 -62.4 -23.2 63.6 44.4 -7.0 378 408 A R H <4 S+ 0 0 157 -3,-1.3 -1,-0.3 -9,-0.2 -2,-0.2 0.638 110.7 51.8 -87.8 -16.2 66.1 44.1 -4.1 379 409 A Y H << S+ 0 0 79 -3,-1.0 8,-0.6 -4,-0.9 2,-0.5 0.392 75.0 116.3-102.5 2.3 66.3 40.3 -4.6 380 410 A V B < -F 386 0B 38 -4,-0.6 6,-0.2 -3,-0.2 2,-0.0 -0.623 52.8-148.1 -78.8 123.5 67.1 39.9 -8.3 381 411 A A > - 0 0 40 4,-2.5 3,-1.7 -2,-0.5 4,-0.2 -0.201 32.5 -93.7 -79.8 174.6 70.5 38.3 -9.0 382 412 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.763 122.0 66.2 -61.8 -26.4 72.8 39.0 -11.9 383 413 A D T 3 S- 0 0 80 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.338 118.3-110.2 -78.1 8.1 71.3 36.1 -13.8 384 414 A G S < S+ 0 0 27 -3,-1.7 -156,-2.2 1,-0.2 2,-0.3 0.794 82.4 113.4 67.5 30.7 68.0 38.0 -14.0 385 415 A K E -E 227 0B 19 -158,-0.2 -4,-2.5 -4,-0.2 2,-0.6 -0.957 65.1-130.8-135.4 152.1 66.3 35.6 -11.5 386 416 A I E -EF 226 380B 1 -160,-2.1 -160,-1.5 -2,-0.3 2,-1.2 -0.908 16.8-159.6-103.2 114.9 64.9 35.6 -8.0 387 417 A H - 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