==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-DEC-11 3V6H . COMPND 2 MOLECULE: DNA (5'-D(*TP*CP*AP*CP*(EFG) . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHAO . 685 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 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 . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 0 0 2 3 3 2 4 0 0 0 0 2 1 2 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 4 2 2 3 1 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 . 0 0 4 2 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 0 A H 0 0 164 0, 0.0 2,-0.4 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 98.9 2.4 46.0 36.2 2 1 A M - 0 0 27 2,-0.0 2,-0.7 110,-0.0 109,-0.0 -0.966 360.0-160.7-132.7 118.0 1.9 43.0 38.5 3 2 A I - 0 0 8 -2,-0.4 109,-2.7 113,-0.1 2,-0.5 -0.847 8.8-172.3-103.4 111.3 4.2 42.1 41.4 4 3 A V E -AB 111 146A 0 142,-2.5 142,-1.7 -2,-0.7 2,-0.5 -0.857 5.3-164.8-103.2 128.0 4.1 38.5 42.6 5 4 A L E -AB 110 145A 0 105,-3.5 105,-3.6 -2,-0.5 2,-0.4 -0.964 10.0-165.6-112.8 120.5 6.0 37.5 45.8 6 5 A F E -AB 109 144A 0 138,-3.4 138,-2.3 -2,-0.5 2,-0.4 -0.839 4.5-163.1-110.7 139.5 6.4 33.7 46.2 7 6 A V E +AB 108 143A 0 101,-2.4 101,-2.0 -2,-0.4 2,-0.5 -0.986 8.0 179.3-127.2 125.4 7.4 32.0 49.5 8 7 A D E -AB 107 142A 7 134,-2.2 134,-2.4 -2,-0.4 99,-0.2 -0.983 27.8-128.0-126.7 120.2 8.7 28.4 49.6 9 8 A F E > - B 0 141A 0 97,-3.4 3,-0.8 -2,-0.5 2,-0.2 -0.476 30.7-110.7 -73.9 137.8 9.7 26.9 53.0 10 9 A D T 3 S- 0 0 2 130,-1.6 5,-0.3 1,-0.3 130,-0.2 -0.475 83.3 -27.4 -70.3 131.2 13.2 25.4 53.0 11 10 A Y T 3> S- 0 0 26 -2,-0.2 4,-2.9 3,-0.1 3,-0.5 0.831 87.6-166.2 31.3 55.1 13.4 21.6 53.4 12 11 A F H <> + 0 0 8 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.771 67.4 39.7 -50.9 -60.1 10.1 22.0 55.2 13 12 A Y H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 121.0 45.4 -57.7 -44.0 9.3 18.7 57.0 14 13 A A H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.890 111.3 53.6 -66.7 -40.7 12.9 18.1 58.1 15 14 A Q H X S+ 0 0 4 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.900 106.0 52.2 -62.8 -41.3 13.2 21.8 59.1 16 15 A V H X S+ 0 0 2 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.946 109.1 50.9 -58.5 -45.2 10.1 21.5 61.3 17 16 A E H X S+ 0 0 11 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 109.0 51.3 -58.2 -40.7 11.7 18.5 63.0 18 17 A E H < S+ 0 0 6 -4,-2.4 7,-0.3 2,-0.2 6,-0.2 0.879 110.3 48.7 -61.9 -40.9 14.9 20.5 63.5 19 18 A V H < S+ 0 0 27 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.947 112.5 48.2 -63.0 -47.3 12.9 23.3 65.1 20 19 A L H < S+ 0 0 24 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.787 130.3 22.1 -64.6 -28.6 11.2 20.8 67.3 21 20 A N >< - 0 0 39 -4,-1.9 3,-2.6 -5,-0.2 4,-0.3 -0.655 69.8-175.5-137.0 81.4 14.6 19.2 68.2 22 21 A P T 3 S+ 0 0 29 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.525 75.8 78.0 -62.7 -2.4 17.4 21.7 67.7 23 22 A S T 3 S+ 0 0 13 1,-0.2 -5,-0.1 3,-0.0 -4,-0.1 0.752 88.1 60.8 -70.3 -21.9 20.0 19.0 68.5 24 23 A L S X S+ 0 0 10 -3,-2.6 3,-1.8 -6,-0.2 -1,-0.2 0.748 78.9 113.8 -74.9 -26.7 19.4 17.7 65.0 25 24 A K T 3 S+ 0 0 129 -3,-0.4 -10,-0.0 -4,-0.3 0, 0.0 -0.198 77.7 19.0 -56.0 131.8 20.5 20.9 63.3 26 25 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.311 111.5 85.9 91.3 -6.3 23.7 20.8 61.2 27 26 A K S < S- 0 0 96 -3,-1.8 -1,-0.3 1,-0.0 23,-0.2 -0.832 93.6 -77.8-122.6 160.7 23.5 17.0 60.9 28 27 A P - 0 0 31 0, 0.0 45,-2.1 0, 0.0 2,-0.4 -0.354 46.7-178.4 -66.3 137.1 21.7 14.8 58.4 29 28 A V E -e 73 0B 0 43,-0.2 19,-2.1 19,-0.1 2,-0.4 -0.999 5.2-169.4-134.1 131.4 17.9 14.4 59.0 30 29 A V E -eF 74 47B 0 43,-3.3 45,-2.9 -2,-0.4 2,-0.6 -0.991 10.9-151.0-127.8 126.9 15.7 12.2 56.8 31 30 A V E -eF 75 46B 0 15,-2.7 14,-3.0 -2,-0.4 15,-1.3 -0.888 24.8-162.7-103.4 123.0 11.9 12.3 57.0 32 31 A C E -eF 76 44B 1 43,-3.4 45,-2.4 -2,-0.6 2,-0.9 -0.837 29.7-148.8-119.3 138.6 10.4 9.0 56.1 33 32 A V E - F 0 43B 66 10,-3.4 10,-1.7 -2,-0.4 2,-0.5 -0.884 28.0-159.0 -97.0 98.9 7.1 7.5 55.0 34 33 A F E - F 0 42B 74 -2,-0.9 8,-0.3 8,-0.2 5,-0.0 -0.727 7.5-164.4 -80.2 120.5 7.4 3.9 56.4 35 34 A S - 0 0 35 6,-1.5 216,-0.3 -2,-0.5 7,-0.2 0.683 28.2-129.8 -84.1 -19.9 5.0 1.6 54.6 36 35 A G S S+ 0 0 55 5,-0.6 3,-0.1 2,-0.4 6,-0.1 0.499 74.0 115.1 87.2 5.3 5.1 -1.3 57.1 37 36 A R S S- 0 0 41 1,-0.2 2,-0.3 215,-0.0 5,-0.0 0.844 89.7 -21.8 -73.4 -39.9 5.8 -4.2 54.7 38 37 A F S > S- 0 0 127 0, 0.0 3,-2.3 0, 0.0 -2,-0.4 -0.931 99.3 -46.4-158.2 174.3 9.2 -4.9 56.2 39 38 A E T 3 S- 0 0 158 1,-0.3 -2,-0.0 -2,-0.3 -5,-0.0 -0.360 126.7 -5.3 -54.5 109.4 12.0 -3.3 58.2 40 39 A D T 3 S+ 0 0 36 -2,-0.3 23,-0.3 1,-0.2 -1,-0.3 0.732 90.1 157.0 74.3 26.9 12.5 0.2 56.7 41 40 A S < + 0 0 5 -3,-2.3 -6,-1.5 21,-0.1 -5,-0.6 -0.578 37.3 52.2 -75.7 148.9 10.1 -0.3 53.7 42 41 A G E S-F 34 0B 27 -8,-0.3 20,-1.9 -2,-0.2 21,-0.5 -0.760 78.9 -67.6 121.8-166.7 8.8 2.9 52.2 43 42 A A E -FG 33 61B 39 -10,-1.7 -10,-3.4 18,-0.3 2,-0.5 -0.832 35.4-101.8-129.0 161.5 10.1 6.2 50.8 44 43 A V E -F 32 0B 6 16,-2.5 15,-2.6 -2,-0.3 -12,-0.2 -0.694 21.5-170.0 -79.6 123.7 11.8 9.5 51.8 45 44 A A E - 0 0 28 -14,-3.0 2,-0.3 -2,-0.5 -13,-0.2 0.917 68.0 -39.6 -76.4 -48.4 9.5 12.4 52.1 46 45 A T E -F 31 0B 15 -15,-1.3 -15,-2.7 11,-0.1 -1,-0.3 -0.962 53.8-149.2-167.4 162.3 12.3 15.0 52.3 47 46 A A E -F 30 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.2 -0.974 26.7-103.9-139.2 157.9 15.7 15.5 53.9 48 47 A N >> - 0 0 0 -19,-2.1 4,-1.8 -2,-0.3 3,-0.8 -0.267 44.5 -98.1 -72.8 166.6 17.7 18.4 55.2 49 48 A Y H 3> S+ 0 0 65 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.777 121.8 61.7 -59.7 -32.7 20.6 19.8 53.1 50 49 A E H 34 S+ 0 0 48 -23,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.893 109.1 43.0 -59.9 -40.9 23.2 17.9 55.1 51 50 A A H X4>S+ 0 0 0 -3,-0.8 3,-1.6 -22,-0.2 5,-1.5 0.866 107.6 60.2 -72.2 -36.1 21.6 14.6 53.9 52 51 A R H ><5S+ 0 0 85 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.791 89.7 70.1 -65.0 -27.1 21.1 15.9 50.4 53 52 A K T 3<5S+ 0 0 159 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.714 102.6 46.0 -63.1 -18.6 24.9 16.3 49.9 54 53 A F T < 5S- 0 0 116 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.231 126.4 -96.6-110.1 9.2 25.1 12.5 50.0 55 54 A G T < 5S+ 0 0 40 -3,-2.0 2,-1.1 1,-0.2 -3,-0.2 0.424 80.4 134.9 93.7 -2.1 22.2 11.8 47.6 56 55 A V < + 0 0 0 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.2 -0.735 33.4 140.2 -82.1 98.2 19.6 11.2 50.2 57 56 A K > - 0 0 121 -2,-1.1 3,-1.5 -3,-0.1 -13,-0.3 -0.827 56.5 -58.6-134.4 175.9 16.6 13.1 48.9 58 57 A A T 3 S+ 0 0 51 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.294 114.6 27.6 -54.9 128.9 12.8 13.1 48.5 59 58 A G T 3 S+ 0 0 60 -15,-2.6 -1,-0.2 1,-0.4 -14,-0.1 0.009 87.8 113.3 110.6 -26.8 11.6 10.1 46.5 60 59 A I S < S- 0 0 35 -3,-1.5 -16,-2.5 1,-0.1 -1,-0.4 -0.394 76.7 -93.9 -77.5 155.4 14.2 7.4 47.1 61 60 A P B >> -G 43 0B 62 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.457 27.6-126.3 -63.4 138.8 13.6 4.2 49.1 62 61 A I H 3> S+ 0 0 0 -20,-1.9 4,-2.9 1,-0.2 5,-0.2 0.847 115.0 58.1 -50.6 -32.8 14.4 4.5 52.8 63 62 A V H 3> S+ 0 0 51 -21,-0.5 4,-0.9 -23,-0.3 -1,-0.2 0.872 103.4 48.8 -73.1 -36.9 16.5 1.4 52.1 64 63 A E H X> S+ 0 0 107 -3,-0.5 4,-1.1 2,-0.2 3,-0.6 0.941 113.5 50.0 -57.5 -47.5 18.5 3.2 49.4 65 64 A A H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.9 0.921 105.2 53.9 -58.7 -50.5 19.0 6.1 51.9 66 65 A K H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.697 101.8 61.2 -63.2 -20.3 20.2 3.9 54.8 67 66 A K H << S+ 0 0 151 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.885 114.2 34.4 -67.3 -42.0 22.8 2.4 52.4 68 67 A I H << S+ 0 0 71 -4,-1.1 -2,-0.2 -3,-0.9 3,-0.2 0.929 133.0 24.1 -79.3 -48.2 24.4 5.9 52.1 69 68 A L >< + 0 0 21 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 -0.600 59.5 163.1-124.8 73.6 23.7 7.3 55.6 70 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.862 82.9 46.9 -55.6 -34.8 23.3 4.6 58.2 71 70 A N T 3 S+ 0 0 156 -3,-0.2 -2,-0.1 2,-0.1 -5,-0.1 0.481 84.3 111.4 -93.5 -3.3 23.9 7.2 60.9 72 71 A A S < S- 0 0 12 -3,-1.3 2,-0.7 1,-0.1 -43,-0.2 -0.210 80.6 -99.0 -62.8 160.9 21.6 9.9 59.7 73 72 A V E -e 29 0B 25 -45,-2.1 -43,-3.3 -49,-0.1 2,-0.5 -0.786 38.0-161.5 -87.9 116.5 18.5 10.6 61.9 74 73 A Y E -e 30 0B 32 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.875 12.9-179.0-101.4 125.4 15.5 8.9 60.3 75 74 A L E -e 31 0B 39 -45,-2.9 -43,-3.4 -2,-0.5 2,-0.2 -0.965 28.8-113.2-130.2 140.3 12.2 10.2 61.5 76 75 A P E -e 32 0B 58 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.493 41.6-104.5 -71.0 141.3 8.6 9.2 60.6 77 76 A M - 0 0 67 -45,-2.4 2,-0.4 -2,-0.2 -43,-0.1 -0.481 32.6-172.7 -67.0 130.8 6.6 11.8 58.7 78 77 A R >> + 0 0 58 -2,-0.2 4,-1.5 1,-0.1 3,-0.6 -0.780 7.2 175.5-123.9 80.8 4.1 13.7 60.9 79 78 A K H 3> S+ 0 0 99 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.844 75.6 59.2 -59.9 -38.2 2.1 15.7 58.4 80 79 A E H 3> S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 105.3 51.2 -60.4 -37.8 -0.4 17.1 61.0 81 80 A V H <> S+ 0 0 7 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.902 111.5 46.3 -64.5 -43.4 2.5 18.6 62.9 82 81 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.797 109.0 57.0 -69.5 -29.5 3.9 20.3 59.8 83 82 A Q H X S+ 0 0 79 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.866 103.2 52.8 -70.1 -38.4 0.4 21.5 58.9 84 83 A Q H X S+ 0 0 50 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.955 112.8 43.7 -59.9 -50.2 0.0 23.3 62.2 85 84 A V H X S+ 0 0 11 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.952 113.5 52.7 -61.8 -47.1 3.3 25.2 61.7 86 85 A S H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.926 107.4 51.0 -52.7 -51.5 2.4 25.9 58.0 87 86 A S H X S+ 0 0 55 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.864 108.2 51.4 -58.5 -41.6 -1.0 27.4 59.0 88 87 A R H X S+ 0 0 23 -4,-2.0 4,-1.3 2,-0.2 3,-0.2 0.952 112.9 47.2 -59.0 -45.1 0.6 29.7 61.5 89 88 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.915 107.3 54.6 -64.7 -42.6 3.1 30.8 58.8 90 89 A M H X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.835 105.9 54.4 -61.0 -31.4 0.4 31.3 56.2 91 90 A N H X S+ 0 0 68 -4,-1.6 4,-0.7 -3,-0.2 -1,-0.3 0.808 105.2 52.4 -71.3 -31.9 -1.4 33.6 58.6 92 91 A L H >< S+ 0 0 35 -4,-1.3 3,-1.4 -3,-0.5 -2,-0.2 0.955 109.1 50.1 -62.2 -49.1 1.8 35.7 58.9 93 92 A L H >X S+ 0 0 1 -4,-2.5 3,-2.4 1,-0.3 4,-1.1 0.874 101.1 63.4 -55.8 -39.8 1.9 36.0 55.1 94 93 A R H 3< S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.799 93.0 64.1 -52.8 -33.5 -1.8 37.1 55.2 95 94 A E T << S+ 0 0 166 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.427 104.4 46.1 -75.1 0.3 -0.6 40.2 57.2 96 95 A Y T <4 S+ 0 0 29 -3,-2.4 2,-0.3 1,-0.4 -1,-0.2 0.596 127.0 9.3-113.1 -22.5 1.4 41.3 54.1 97 96 A S < - 0 0 2 -4,-1.1 -1,-0.4 -3,-0.2 15,-0.1 -0.909 45.7-156.0-158.6 137.4 -1.2 40.8 51.5 98 97 A E S S+ 0 0 124 -2,-0.3 2,-1.5 1,-0.2 -1,-0.1 0.866 90.3 74.9 -70.5 -39.8 -5.0 40.0 51.3 99 98 A K S S+ 0 0 74 12,-0.4 12,-2.7 2,-0.0 2,-0.4 -0.611 71.2 151.2 -78.9 88.2 -4.5 38.6 47.8 100 99 A I E -C 110 0A 14 -2,-1.5 2,-0.6 10,-0.2 10,-0.2 -0.968 36.5-158.7-127.2 137.4 -2.8 35.3 48.7 101 100 A E E -C 109 0A 6 8,-3.0 8,-2.6 -2,-0.4 2,-0.9 -0.960 8.9-157.6-113.3 109.0 -2.7 31.9 47.0 102 101 A I E +C 108 0A 63 -2,-0.6 139,-0.3 6,-0.2 6,-0.2 -0.821 16.0 178.7 -83.2 107.4 -1.8 29.1 49.4 103 102 A A - 0 0 13 4,-1.6 2,-0.3 -2,-0.9 5,-0.2 0.690 56.9 -26.6 -89.6 -22.2 -0.5 26.5 46.9 104 103 A S S S- 0 0 36 3,-1.4 3,-0.4 1,-0.0 -1,-0.2 -0.948 82.3 -67.7-170.7-175.2 0.5 23.7 49.2 105 104 A I S S+ 0 0 22 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.770 130.4 30.5 -60.1 -25.4 1.7 23.0 52.7 106 105 A D S S+ 0 0 30 1,-0.1 -97,-3.4 -98,-0.0 2,-0.3 0.498 113.1 53.5-120.2 -0.6 5.0 24.8 52.1 107 106 A E E +A 8 0A 28 -3,-0.4 -4,-1.6 -99,-0.2 -3,-1.4 -0.980 47.0 177.7-142.3 150.5 4.4 27.5 49.5 108 107 A A E -AC 7 102A 0 -101,-2.0 -101,-2.4 -2,-0.3 2,-0.5 -0.986 20.6-139.2-152.1 139.9 2.3 30.6 48.8 109 108 A Y E -AC 6 101A 17 -8,-2.6 -8,-3.0 -2,-0.3 2,-0.5 -0.880 18.3-165.2 -96.8 124.8 2.0 33.4 46.2 110 109 A L E -AC 5 100A 0 -105,-3.6 -105,-3.5 -2,-0.5 2,-0.8 -0.937 15.3-143.1-106.9 129.3 1.3 36.9 47.4 111 110 A D E +A 4 0A 11 -12,-2.7 -12,-0.4 -2,-0.5 3,-0.3 -0.825 26.4 171.5 -86.1 113.3 0.1 39.6 45.0 112 111 A I >> + 0 0 0 -109,-2.7 3,-1.7 -2,-0.8 4,-1.6 0.185 35.9 118.5-111.2 17.2 1.9 42.6 46.3 113 112 A S T 34 S+ 0 0 20 -110,-0.4 -1,-0.2 1,-0.3 -109,-0.1 0.688 83.9 42.6 -57.4 -23.6 1.1 45.1 43.5 114 113 A D T 34 S+ 0 0 117 -3,-0.3 -1,-0.3 -111,-0.1 -2,-0.1 0.497 112.5 53.0 -99.3 -9.6 -0.7 47.4 45.9 115 114 A K T <4 S+ 0 0 92 -3,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.666 112.7 35.5 -99.5 -21.4 1.9 47.1 48.7 116 115 A V < - 0 0 13 -4,-1.6 -1,-0.2 1,-0.1 -113,-0.1 -0.970 59.0-147.7-141.3 150.7 5.0 48.0 46.8 117 116 A R S S- 0 0 186 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.827 77.0 -14.2 -85.8 -38.6 5.9 50.4 44.0 118 117 A D S > S- 0 0 70 -115,-0.0 4,-2.3 1,-0.0 -1,-0.1 -0.862 81.7 -74.2-156.1-176.4 8.7 48.5 42.3 119 118 A Y H > S+ 0 0 42 -2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.758 123.2 57.4 -66.8 -29.1 11.2 45.6 42.5 120 119 A R H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 111.8 42.1 -62.0 -52.1 13.4 47.4 45.0 121 120 A E H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.849 113.7 53.8 -64.3 -37.3 10.5 47.8 47.4 122 121 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 106.9 50.6 -61.2 -48.5 9.4 44.2 46.6 123 122 A Y H X S+ 0 0 91 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.919 109.1 52.3 -55.0 -46.0 12.8 42.9 47.5 124 123 A N H X S+ 0 0 78 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.844 108.5 49.6 -62.7 -35.8 12.7 44.8 50.8 125 124 A L H X S+ 0 0 21 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.887 105.3 57.7 -68.3 -40.9 9.3 43.3 51.7 126 125 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 108.3 47.9 -49.8 -45.8 10.8 39.8 50.9 127 126 A L H X S+ 0 0 60 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.869 110.0 51.0 -63.7 -41.5 13.4 40.5 53.6 128 127 A E H X S+ 0 0 110 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.932 111.6 48.5 -63.1 -46.8 10.7 41.7 56.0 129 128 A I H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.937 112.3 47.5 -56.5 -50.7 8.8 38.5 55.4 130 129 A K H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.906 112.2 49.5 -60.2 -47.1 11.9 36.3 55.9 131 130 A N H X S+ 0 0 98 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 112.3 49.5 -57.9 -39.5 12.9 38.0 59.1 132 131 A K H X S+ 0 0 61 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.923 110.2 46.6 -69.8 -49.3 9.4 37.7 60.5 133 132 A I H X>S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 6,-1.1 0.879 112.6 54.4 -59.3 -37.3 8.9 34.0 59.8 134 133 A L H X5S+ 0 0 85 -4,-2.0 4,-0.8 -5,-0.3 -2,-0.2 0.910 112.6 40.3 -62.9 -44.6 12.3 33.5 61.3 135 134 A E H <5S+ 0 0 133 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.809 122.3 41.3 -78.6 -27.3 11.5 35.3 64.5 136 135 A K H <5S+ 0 0 111 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.901 138.2 4.8 -84.1 -45.4 8.0 33.8 64.8 137 136 A E H <5S- 0 0 17 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.496 88.3-123.0-120.0 -9.8 8.4 30.2 63.8 138 137 A K << + 0 0 123 -5,-0.9 2,-0.5 -4,-0.8 -4,-0.2 0.781 64.4 140.7 62.8 30.3 12.2 29.8 63.3 139 138 A I - 0 0 1 -6,-1.1 2,-0.3 -9,-0.1 -1,-0.2 -0.901 44.9-146.5-104.3 123.9 11.6 28.6 59.7 140 139 A T - 0 0 33 -2,-0.5 -130,-1.6 -130,-0.2 2,-0.3 -0.693 24.9-175.0 -82.2 146.6 14.0 29.9 57.0 141 140 A V E -B 9 0A 1 -2,-0.3 2,-0.4 -132,-0.2 -132,-0.2 -0.855 23.4-121.9-135.7 166.8 12.3 30.3 53.7 142 141 A T E -B 8 0A 0 -134,-2.4 -134,-2.2 -2,-0.3 2,-0.4 -0.968 23.4-152.2-116.9 133.9 13.2 31.2 50.1 143 142 A V E -Bd 7 164A 0 20,-2.0 22,-2.5 -2,-0.4 2,-0.4 -0.883 9.9-172.8-109.3 132.0 11.6 34.2 48.3 144 143 A G E -Bd 6 165A 0 -138,-2.3 -138,-3.4 -2,-0.4 2,-0.4 -0.987 5.5-173.0-121.0 133.5 11.0 34.6 44.6 145 144 A I E +Bd 5 166A 0 20,-2.3 22,-2.7 -2,-0.4 2,-0.2 -0.992 23.1 122.8-128.4 127.8 9.8 37.9 43.1 146 145 A S E -B 4 0A 0 -142,-1.7 -142,-2.5 -2,-0.4 22,-0.1 -0.875 69.3 -77.5-159.4-164.7 8.7 38.5 39.5 147 146 A K S S+ 0 0 45 20,-0.4 2,-0.3 -2,-0.2 -142,-0.1 0.778 107.7 17.4 -81.0 -25.6 6.0 39.7 37.2 148 147 A N S > S- 0 0 2 -144,-0.1 4,-2.0 -145,-0.1 5,-0.2 -0.883 84.3 -98.6-139.9 173.2 4.0 36.5 37.4 149 148 A K H > S+ 0 0 16 87,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.872 116.3 53.1 -58.3 -45.1 3.5 33.3 39.5 150 149 A V H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 112.9 41.5 -62.5 -46.1 5.7 31.1 37.2 151 150 A F H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.826 112.0 55.4 -75.6 -27.2 8.7 33.4 37.1 152 151 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.872 111.6 45.9 -67.4 -35.6 8.4 34.1 40.9 153 152 A K H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.958 112.7 48.1 -70.9 -51.1 8.5 30.3 41.4 154 153 A I H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.867 108.9 56.8 -50.6 -40.3 11.5 29.9 39.0 155 154 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.933 108.7 45.4 -59.7 -46.7 13.1 32.8 40.9 156 155 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 3,-0.3 0.848 108.3 56.5 -64.6 -38.7 12.8 30.9 44.2 157 156 A D H >< S+ 0 0 69 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.920 107.5 49.6 -61.4 -41.4 14.0 27.7 42.6 158 157 A M H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.774 115.5 43.5 -64.4 -27.9 17.2 29.4 41.6 159 158 A A H 3< S+ 0 0 23 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.371 87.1 158.8-107.8 3.0 17.8 30.9 45.0 160 159 A K << + 0 0 74 -4,-0.8 2,-0.1 -3,-0.6 4,-0.0 -0.459 38.0 45.6 -79.5 152.7 17.2 28.1 47.5 161 160 A P S S- 0 0 59 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.619 130.0 -18.6 -93.9 166.9 17.9 27.5 50.3 162 161 A N S S+ 0 0 99 1,-0.2 -20,-0.2 -2,-0.1 2,-0.2 0.868 107.1 128.1 50.6 44.8 17.5 30.6 52.6 163 162 A G - 0 0 13 -7,-0.1 -20,-2.0 2,-0.0 2,-0.3 -0.565 49.4-153.5-121.9-178.3 17.5 32.9 49.6 164 163 A I E +d 143 0A 31 -22,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.869 17.9 177.7-157.4 128.5 15.7 35.7 47.9 165 164 A K E -d 144 0A 71 -22,-2.5 -20,-2.3 -2,-0.3 2,-0.4 -0.999 16.3-154.6-140.0 134.6 15.8 36.5 44.2 166 165 A V E -d 145 0A 38 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.860 3.3-165.0 -98.8 137.7 14.1 39.1 41.9 167 166 A I - 0 0 0 -22,-2.7 -20,-0.4 -2,-0.4 -12,-0.1 -0.909 18.9-167.5-120.3 98.8 13.6 38.4 38.2 168 167 A D > - 0 0 73 -2,-0.5 4,-2.5 -22,-0.1 5,-0.1 -0.067 39.4 -83.1 -76.5-174.7 12.8 41.7 36.6 169 168 A D H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.778 127.4 48.4 -66.1 -32.1 11.5 42.3 33.1 170 169 A E H > S+ 0 0 162 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.1 49.4 -73.7 -42.4 14.9 42.1 31.3 171 170 A E H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.875 107.3 55.9 -64.6 -38.6 15.8 39.0 33.1 172 171 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.971 109.6 46.1 -51.0 -55.6 12.4 37.5 32.1 173 172 A K H X S+ 0 0 132 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.866 113.4 49.7 -59.3 -37.7 13.3 38.2 28.5 174 173 A R H X S+ 0 0 78 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.891 111.6 48.4 -64.7 -41.8 16.8 36.7 29.1 175 174 A L H X S+ 0 0 5 -4,-2.9 4,-2.7 2,-0.2 28,-0.4 0.851 102.3 60.5 -73.4 -35.2 15.3 33.6 30.7 176 175 A I H < S+ 0 0 12 -4,-2.7 28,-2.1 1,-0.2 -1,-0.2 0.857 115.4 38.6 -54.3 -33.1 12.8 33.1 27.9 177 176 A R H < S+ 0 0 127 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.802 132.7 20.3 -85.6 -31.0 15.9 32.8 25.7 178 177 A E H < S+ 0 0 93 -4,-1.7 -3,-0.2 -5,-0.1 2,-0.2 0.627 86.9 106.8-123.2 -16.7 18.2 30.9 28.0 179 178 A L S < S- 0 0 17 -4,-2.7 24,-0.5 -5,-0.2 2,-0.4 -0.480 77.9-109.0 -68.5 134.0 16.4 29.0 30.8 180 179 A D B > -H 202 0C 65 -2,-0.2 3,-3.3 1,-0.2 22,-0.2 -0.519 22.9-136.4 -64.7 120.2 16.3 25.2 30.2 181 180 A I G > S+ 0 0 0 20,-3.1 3,-1.7 -2,-0.4 -1,-0.2 0.764 101.9 70.4 -52.7 -26.9 12.7 24.5 29.3 182 181 A A G 3 S+ 0 0 29 19,-0.3 -1,-0.3 1,-0.3 10,-0.1 0.591 91.2 61.2 -65.9 -9.5 12.9 21.5 31.6 183 182 A D G < S+ 0 0 95 -3,-3.3 -1,-0.3 2,-0.1 -2,-0.2 0.358 75.6 111.5-100.2 3.8 13.0 24.0 34.5 184 183 A V S X S- 0 0 3 -3,-1.7 3,-2.2 -4,-0.2 -33,-0.1 -0.664 82.8-106.5 -75.5 122.9 9.6 25.5 33.7 185 184 A P T 3 S+ 0 0 28 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.329 108.4 31.0 -48.1 130.3 7.1 24.6 36.5 186 185 A G T 3 S+ 0 0 60 1,-0.1 2,-0.8 -4,-0.1 5,-0.1 0.272 91.5 107.4 98.7 -7.1 4.8 21.9 35.1 187 186 A I < + 0 0 13 -3,-2.2 -1,-0.1 -6,-0.1 2,-0.1 -0.881 48.0 174.0-105.8 102.5 7.3 20.4 32.7 188 187 A G > - 0 0 44 -2,-0.8 4,-2.4 -3,-0.1 5,-0.2 -0.120 48.3 -72.0 -93.8-166.3 8.3 17.0 34.1 189 188 A N H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.858 126.6 48.0 -59.8 -44.2 10.6 14.2 32.8 190 189 A I H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.888 114.8 45.5 -67.2 -39.6 8.3 12.9 30.0 191 190 A T H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 111.3 51.7 -72.0 -44.8 7.5 16.4 28.6 192 191 A A H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.935 110.1 49.1 -55.6 -48.0 11.1 17.6 28.7 193 192 A E H X S+ 0 0 97 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.826 109.6 52.4 -64.8 -32.0 12.3 14.4 26.8 194 193 A K H X S+ 0 0 72 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.894 110.5 48.3 -68.0 -39.5 9.5 14.9 24.2 195 194 A L H <>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 4,-0.3 0.889 108.6 52.3 -68.0 -41.2 10.7 18.5 23.6 196 195 A K H ><5S+ 0 0 75 -4,-2.4 3,-0.6 3,-0.3 -1,-0.2 0.852 103.0 58.9 -66.2 -35.6 14.3 17.6 23.3 197 196 A K H 3<5S+ 0 0 157 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.933 112.1 40.6 -52.5 -48.2 13.4 15.1 20.6 198 197 A L T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.478 120.6-118.0 -76.7 -6.4 11.9 18.0 18.7 199 198 A G T < 5 + 0 0 38 -3,-0.6 2,-0.7 1,-0.3 -3,-0.3 0.789 63.9 147.3 69.9 28.7 15.0 20.0 19.8 200 199 A I < + 0 0 6 -5,-3.3 -1,-0.3 1,-0.1 -2,-0.1 -0.896 6.4 152.3 -92.3 115.6 12.9 22.6 21.8 201 200 A N + 0 0 69 -2,-0.7 -20,-3.1 1,-0.2 -19,-0.3 0.576 56.2 41.6-119.9 -23.1 15.3 23.5 24.7 202 201 A K B >> S-H 180 0C 68 -22,-0.2 3,-1.5 -21,-0.1 4,-0.6 -0.942 84.1-110.7-131.8 151.5 14.2 27.0 25.6 203 202 A L G >4 S+ 0 0 0 -24,-0.5 3,-1.2 -28,-0.4 4,-0.3 0.836 117.0 60.6 -46.7 -39.9 10.9 28.8 26.0 204 203 A V G >4 S+ 0 0 52 -28,-2.1 3,-1.8 1,-0.3 4,-0.4 0.817 91.5 67.3 -62.5 -32.3 11.7 30.8 22.8 205 204 A D G X4 S+ 0 0 41 -3,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.787 89.5 65.6 -56.7 -30.8 11.9 27.6 20.7 206 205 A T G << S+ 0 0 2 -3,-1.2 3,-0.3 -4,-0.6 -1,-0.3 0.669 95.1 59.1 -67.2 -17.0 8.1 27.1 21.3 207 206 A L G < S+ 0 0 79 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.658 103.5 49.2 -85.4 -18.6 7.5 30.3 19.2 208 207 A S S < S+ 0 0 108 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.2 0.273 95.4 85.2-108.8 9.5 9.2 29.1 16.1 209 208 A I S S- 0 0 33 -3,-0.3 5,-0.0 -4,-0.2 2,-0.0 -0.895 92.0 -94.4-109.6 142.3 7.5 25.7 15.8 210 209 A E > - 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