==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 03-AUG-12 4GFH . COMPND 2 MOLECULE: DNA TOPOISOMERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.H.SCHMIDT,N.OSHEROFF,J.M.BERGER . 2200 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 99138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1544 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 300 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 168 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 201 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 683 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 1.6 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 10 4 2 10 2 5 9 2 8 2 0 2 0 4 0 0 2 2 2 0 0 2 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 2 4 2 2 4 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 . 17 10 6 14 8 2 4 2 2 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 . 8 12 2 2 0 2 0 2 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 7 A S >> 0 0 130 0, 0.0 4,-1.4 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 -34.9 40.8 42.2 61.3 2 8 A A H 3> + 0 0 25 1,-0.3 4,-0.5 2,-0.2 1206,-0.1 0.530 360.0 54.4 -72.4 -5.3 41.2 38.6 60.1 3 9 A S H 34 S+ 0 0 15 2,-0.1 -1,-0.3 1207,-0.1 1209,-0.1 0.478 107.5 48.2-104.1 -7.7 40.3 37.5 63.6 4 10 A D H <4 S+ 0 0 113 -3,-1.3 -2,-0.2 3,-0.1 -1,-0.1 0.636 106.6 57.0-100.7 -23.4 37.0 39.4 63.6 5 11 A K H < S+ 0 0 82 -4,-1.4 2,-0.6 1,-0.2 1226,-0.3 0.913 104.2 54.3 -72.8 -46.1 35.9 38.2 60.2 6 12 A Y S < S- 0 0 15 -4,-0.5 2,-0.3 1224,-0.1 1223,-0.2 -0.831 75.4-176.8 -96.3 117.5 36.1 34.5 61.1 7 13 A Q E -A 1228 0A 63 1221,-2.0 1221,-1.7 -2,-0.6 2,-0.5 -0.837 19.4-156.7-115.5 150.6 34.0 33.6 64.2 8 14 A K E -A 1227 0A 75 -2,-0.3 2,-0.3 1219,-0.2 1219,-0.2 -0.979 20.3-175.6-124.8 118.7 33.5 30.4 66.2 9 15 A I - 0 0 12 1217,-1.1 2,-0.0 -2,-0.5 -2,-0.0 -0.791 24.4-110.4-116.5 156.2 30.3 30.2 68.2 10 16 A S > - 0 0 57 -2,-0.3 4,-1.7 1,-0.1 3,-0.4 -0.297 33.3-108.2 -77.2 165.6 28.9 27.6 70.7 11 17 A Q H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.847 120.8 53.5 -64.4 -34.8 25.9 25.4 69.9 12 18 A L H > S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.793 109.1 50.0 -68.6 -28.5 23.8 27.4 72.4 13 19 A E H > S+ 0 0 107 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.803 106.6 53.6 -80.5 -31.4 24.8 30.6 70.6 14 20 A H H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.850 105.8 54.3 -71.5 -34.9 23.9 29.4 67.1 15 21 A I H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 111.7 42.9 -63.7 -45.6 20.4 28.4 68.2 16 22 A L H < S+ 0 0 49 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.695 119.3 45.1 -75.5 -19.5 19.6 31.9 69.5 17 23 A K H < S+ 0 0 88 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.801 128.7 21.7 -92.5 -34.6 21.2 33.5 66.5 18 24 A R >< + 0 0 21 -4,-2.6 3,-0.8 -5,-0.1 -1,-0.2 -0.553 68.4 161.6-135.3 69.2 19.7 31.3 63.8 19 25 A P G >>> + 0 0 15 0, 0.0 4,-2.7 0, 0.0 3,-2.3 0.692 53.4 89.6 -63.7 -23.9 16.5 29.7 65.2 20 26 A D G 345S+ 0 0 27 1,-0.3 5,-0.2 3,-0.2 324,-0.1 0.806 86.9 46.2 -48.4 -45.2 15.0 28.8 61.8 21 27 A T G <45S+ 0 0 29 -3,-0.8 322,-1.1 1,-0.1 -1,-0.3 0.532 121.3 39.7 -79.4 -4.8 16.6 25.3 61.5 22 28 A Y T <45S- 0 0 14 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.1 0.808 141.0 -7.4-107.4 -49.8 15.7 24.4 65.1 23 29 A I T <5S- 0 0 2 -4,-2.7 33,-0.2 1,-0.2 -3,-0.2 0.499 104.1-100.9-127.3 -14.8 12.2 25.8 65.8 24 30 A G < - 0 0 9 -5,-1.4 -1,-0.2 32,-0.1 -3,-0.1 -0.343 63.0 -25.0 108.5 167.3 11.4 27.9 62.7 25 31 A S - 0 0 26 -5,-0.2 28,-2.2 1,-0.1 29,-0.2 -0.120 42.3-153.7 -51.6 141.4 11.4 31.6 61.9 26 32 A V + 0 0 30 26,-0.2 2,-0.2 27,-0.1 -1,-0.1 0.314 68.1 99.4 -97.8 4.9 11.0 34.0 64.8 27 33 A E S S- 0 0 91 1,-0.1 26,-0.2 23,-0.0 23,-0.1 -0.621 87.7 -97.2 -88.1 150.5 9.5 36.6 62.5 28 34 A T - 0 0 61 -2,-0.2 2,-0.4 23,-0.2 23,-0.2 -0.406 45.1-159.6 -63.1 144.2 5.8 37.2 62.3 29 35 A Q E -B 50 0B 37 21,-1.8 21,-1.4 -4,-0.1 2,-0.6 -0.993 19.6-129.3-135.1 133.9 4.3 35.4 59.3 30 36 A E E +B 49 0B 141 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.726 46.0 164.6 -78.1 120.9 1.1 35.8 57.3 31 37 A Q E -B 48 0B 58 17,-2.5 17,-2.3 -2,-0.6 2,-0.7 -0.933 45.6-125.7-137.9 157.4 -0.5 32.3 57.2 32 38 A L E +B 47 0B 102 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.923 47.3 176.2-101.5 107.9 -3.8 30.6 56.4 33 39 A Q E -B 46 0B 31 13,-1.6 13,-2.6 -2,-0.7 2,-0.4 -0.821 32.7-121.1-119.6 151.8 -4.4 28.5 59.5 34 40 A W E -B 45 0B 27 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.732 35.4-178.7 -86.3 138.3 -7.1 26.2 60.9 35 41 A I E -B 44 0B 14 9,-1.7 9,-1.9 -2,-0.4 2,-0.6 -0.936 29.5-115.7-134.8 156.0 -8.7 27.3 64.2 36 42 A Y E -B 43 0B 26 175,-0.6 2,-1.0 -2,-0.3 7,-0.2 -0.857 22.8-152.7 -95.0 120.2 -11.3 26.0 66.6 37 43 A D E >>> -B 42 0B 39 5,-2.8 4,-1.7 -2,-0.6 5,-0.9 -0.790 5.5-166.7 -95.1 99.3 -14.4 28.2 66.9 38 44 A E T 345S+ 0 0 101 -2,-1.0 -1,-0.2 1,-0.3 5,-0.0 0.781 86.4 59.3 -54.0 -29.8 -15.8 27.6 70.3 39 45 A E T 345S+ 0 0 177 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.852 119.0 25.7 -70.8 -39.7 -19.0 29.4 69.2 40 46 A T T <45S- 0 0 74 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.404 100.5-129.3-102.2 -2.2 -19.8 27.1 66.3 41 47 A D T <5S+ 0 0 74 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.888 72.6 91.3 56.2 45.0 -18.0 24.0 67.8 42 48 A C E > - 0 0 1 -2,-0.3 4,-1.8 -23,-0.2 3,-1.1 -0.867 24.1-155.4 -99.6 102.6 5.5 33.6 65.2 52 58 A P H 3> S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -26,-0.2 0.800 91.3 59.3 -46.7 -40.9 6.3 30.0 64.0 53 59 A G H 3> S+ 0 0 0 -28,-2.2 4,-2.2 2,-0.2 5,-0.2 0.911 106.5 46.6 -55.8 -46.8 9.1 29.7 66.5 54 60 A L H <> S+ 0 0 0 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.927 112.5 49.5 -61.6 -47.4 6.7 30.3 69.4 55 61 A F H X S+ 0 0 29 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.857 111.5 51.9 -59.8 -35.7 4.2 27.9 68.1 56 62 A K H X S+ 0 0 18 -4,-2.3 4,-2.3 -5,-0.2 3,-0.5 0.925 102.9 53.1 -71.0 -48.2 6.9 25.3 67.7 57 63 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.3 -1,-0.2 0.805 110.7 51.2 -59.7 -27.8 8.4 25.3 71.2 58 64 A F H X S+ 0 0 1 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.3 0.804 108.0 52.0 -74.4 -31.3 4.9 24.8 72.4 59 65 A D H X S+ 0 0 7 -4,-1.0 4,-2.9 -3,-0.5 5,-0.3 0.845 101.2 61.5 -71.5 -34.9 4.6 21.8 70.0 60 66 A E H X S+ 0 0 8 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.807 106.8 44.6 -62.5 -31.5 7.8 20.4 71.4 61 67 A I H X S+ 0 0 4 -4,-0.7 4,-1.3 -5,-0.2 -1,-0.2 0.843 113.6 49.6 -82.1 -36.4 6.3 20.0 74.8 62 68 A L H >X S+ 0 0 4 -4,-1.4 4,-2.0 2,-0.2 3,-0.8 0.966 109.2 50.4 -62.9 -55.0 3.0 18.6 73.5 63 69 A V H 3X S+ 0 0 3 -4,-2.9 4,-1.6 1,-0.3 70,-0.3 0.774 107.0 57.7 -56.9 -27.2 4.7 16.0 71.4 64 70 A N H 3X S+ 0 0 64 -4,-0.6 4,-0.8 -5,-0.3 -1,-0.3 0.872 106.8 46.3 -70.0 -37.9 6.7 15.0 74.5 65 71 A A H << S+ 0 0 3 -4,-1.3 4,-0.3 -3,-0.8 -2,-0.2 0.824 112.5 51.0 -72.4 -32.7 3.5 14.3 76.4 66 72 A A H >X S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 4,-0.7 0.812 104.0 58.0 -73.6 -31.9 2.1 12.3 73.5 67 73 A D H >X S+ 0 0 18 -4,-1.6 4,-1.6 1,-0.2 3,-0.6 0.801 95.8 66.0 -64.3 -28.8 5.3 10.3 73.3 68 74 A N H 3X S+ 0 0 16 -4,-0.8 4,-3.0 1,-0.2 -1,-0.2 0.691 91.3 61.3 -70.8 -18.8 4.7 9.3 76.9 69 75 A K H <4 S+ 0 0 32 -3,-1.0 -1,-0.2 -4,-0.3 6,-0.2 0.828 104.8 48.3 -73.5 -33.5 1.6 7.3 75.9 70 76 A V H << S+ 0 0 67 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.869 114.3 47.5 -69.2 -38.4 3.8 5.2 73.7 71 77 A R H < S+ 0 0 71 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.961 129.6 18.7 -66.3 -54.3 6.2 4.8 76.7 72 78 A D >< - 0 0 32 -4,-3.0 3,-1.8 24,-0.1 -1,-0.3 -0.892 64.5-167.5-125.5 100.7 3.4 4.0 79.2 73 79 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.618 81.6 76.7 -59.8 -14.4 0.1 2.8 77.6 74 80 A S T 3 + 0 0 73 20,-0.0 21,-0.2 2,-0.0 -5,-0.1 0.449 68.4 119.2 -80.4 0.3 -1.6 3.2 81.0 75 81 A M < + 0 0 1 -3,-1.8 3,-0.1 -6,-0.2 20,-0.0 -0.314 30.5 166.2 -65.1 144.4 -1.7 7.0 80.5 76 82 A K + 0 0 138 1,-0.2 152,-2.5 151,-0.1 2,-0.4 0.557 49.4 48.8-128.0 -27.6 -5.2 8.6 80.4 77 83 A R E -c 228 0C 97 150,-0.2 17,-1.6 152,-0.0 2,-0.4 -0.963 41.8-178.2-136.9 138.1 -5.0 12.4 80.8 78 84 A I E -cD 229 93C 4 150,-2.3 152,-2.6 -2,-0.4 2,-0.4 -0.986 14.1-160.4-132.6 124.1 -3.2 15.4 79.4 79 85 A D E -cD 230 92C 20 13,-2.5 13,-2.0 -2,-0.4 2,-0.4 -0.849 7.6-173.8-105.4 139.4 -3.7 19.0 80.6 80 86 A V E -cD 231 91C 0 150,-2.7 152,-1.4 -2,-0.4 2,-0.7 -0.885 7.2-177.4-132.0 102.1 -2.9 22.2 78.7 81 87 A N E - D 0 90C 31 9,-2.2 9,-1.7 -2,-0.4 2,-0.7 -0.865 5.1-168.9-108.2 107.5 -3.4 25.4 80.7 82 88 A I E - D 0 89C 16 -2,-0.7 2,-1.0 7,-0.2 7,-0.2 -0.849 5.0-171.0 -97.0 110.9 -2.7 28.7 78.9 83 89 A H E > + D 0 88C 71 5,-2.8 5,-2.4 -2,-0.7 -2,-0.0 -0.882 6.8 179.3 -96.1 97.8 -2.6 31.7 81.1 84 90 A A T > 5S+ 0 0 34 -2,-1.0 3,-1.4 3,-0.2 121,-0.5 0.910 77.2 57.2 -62.3 -45.3 -2.5 34.4 78.5 85 91 A E T 3 5S+ 0 0 179 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.886 117.2 34.3 -55.3 -41.6 -2.5 37.2 81.1 86 92 A E T 3 5S- 0 0 101 2,-0.2 -1,-0.3 118,-0.0 -2,-0.2 0.221 104.1-128.1 -99.6 7.4 0.7 35.8 82.7 87 93 A H T < 5 + 0 0 44 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.854 63.7 140.5 52.6 37.7 2.1 34.5 79.4 88 94 A T E < -D 83 0C 19 -5,-2.4 -5,-2.8 106,-0.2 2,-0.4 -0.928 36.6-163.6-120.3 140.6 2.5 31.2 81.1 89 95 A I E -DE 82 193C 0 104,-2.1 104,-2.3 -2,-0.4 2,-0.4 -0.979 1.5-166.8-128.2 133.0 1.9 27.7 79.6 90 96 A E E -DE 81 192C 30 -9,-1.7 -9,-2.2 -2,-0.4 2,-0.5 -0.971 6.0-176.3-125.0 126.7 1.5 24.4 81.5 91 97 A V E +DE 80 191C 2 100,-3.2 100,-2.7 -2,-0.4 2,-0.3 -0.923 13.5 177.9-123.4 106.4 1.6 20.9 80.0 92 98 A K E +DE 79 190C 78 -13,-2.0 -13,-2.5 -2,-0.5 2,-0.3 -0.838 5.8 179.7-112.6 144.7 0.8 18.1 82.4 93 99 A N E -DE 78 189C 11 96,-2.0 96,-2.6 -2,-0.3 -15,-0.2 -0.989 14.1-147.6-145.5 133.7 0.6 14.3 81.8 94 100 A D + 0 0 43 -17,-1.6 94,-0.2 -2,-0.3 -19,-0.1 0.196 58.3 70.1 -78.0-155.2 -0.1 11.4 84.1 95 101 A G S S- 0 0 9 92,-0.3 -2,-0.1 -21,-0.2 -26,-0.1 -0.256 101.1 -6.5 72.1-167.5 1.3 7.8 83.7 96 102 A K S S- 0 0 114 -28,-0.2 -24,-0.1 1,-0.1 93,-0.1 -0.284 74.0-159.9 -61.0 141.2 4.9 7.1 84.4 97 103 A G - 0 0 5 58,-0.4 92,-0.1 1,-0.1 -1,-0.1 -0.050 33.4 -53.0-104.7-154.6 7.1 10.1 85.0 98 104 A I - 0 0 16 90,-0.3 2,-0.2 65,-0.1 -1,-0.1 -0.746 57.7-111.6 -90.9 129.5 10.8 11.0 84.9 99 105 A P - 0 0 15 0, 0.0 2,-1.1 0, 0.0 11,-0.2 -0.408 21.2-144.2 -61.9 127.3 13.1 8.8 86.9 100 106 A I + 0 0 6 -2,-0.2 2,-0.3 10,-0.1 9,-0.1 -0.788 56.9 116.7 -88.3 91.1 14.5 10.7 89.8 101 107 A E S S- 0 0 73 -2,-1.1 9,-2.1 1008,-0.1 2,-0.5 -0.989 70.5-100.3-161.1 146.8 17.9 9.2 89.8 102 108 A I B -K 109 0D 82 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.623 41.7-121.8 -76.0 120.8 21.6 10.1 89.3 103 109 A H > - 0 0 4 5,-2.4 4,-1.6 -2,-0.5 5,-0.2 -0.442 14.1-138.7 -64.8 128.5 22.8 9.2 85.8 104 110 A N T 4 S+ 0 0 105 -2,-0.2 -1,-0.1 1,-0.2 1006,-0.0 0.639 98.0 30.6 -67.3 -15.3 25.7 6.8 86.0 105 111 A K T 4 S+ 0 0 152 3,-0.1 -1,-0.2 1005,-0.1 -2,-0.0 0.744 122.8 42.3-111.3 -36.4 27.7 8.5 83.2 106 112 A E T 4 S- 0 0 47 2,-0.2 -2,-0.2 1,-0.0 3,-0.1 0.534 92.3-139.0 -93.1 -8.0 26.6 12.2 83.3 107 113 A N < + 0 0 123 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.765 68.2 92.4 56.9 30.4 26.8 12.4 87.1 108 114 A I S S- 0 0 36 -5,-0.2 -5,-2.4 -7,-0.1 -2,-0.2 -0.966 88.7 -73.4-144.5 161.5 23.6 14.5 87.4 109 115 A Y B > -K 102 0D 77 -2,-0.3 4,-1.7 -7,-0.2 -7,-0.2 -0.236 42.4-124.0 -53.8 140.4 19.9 13.9 87.9 110 116 A I H > S+ 0 0 0 -9,-2.1 4,-2.7 1,-0.2 5,-0.2 0.891 110.8 52.8 -56.0 -44.6 18.3 12.5 84.8 111 117 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 5,-0.3 0.936 110.6 47.1 -56.2 -48.0 15.7 15.3 84.6 112 118 A E H > S+ 0 0 38 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.780 114.5 50.4 -62.9 -28.0 18.5 17.9 84.8 113 119 A M H X S+ 0 0 0 -4,-1.7 4,-0.8 3,-0.2 -1,-0.2 0.911 115.4 37.0 -77.2 -45.6 20.3 16.0 82.1 114 120 A I H < S+ 0 0 16 -4,-2.7 27,-0.2 1,-0.2 -2,-0.2 0.484 127.3 35.5 -91.2 -3.9 17.5 15.6 79.5 115 121 A F H < S+ 0 0 17 -4,-1.2 -3,-0.2 -5,-0.2 -1,-0.2 0.529 122.5 39.7-121.5 -15.8 15.9 19.0 80.0 116 122 A G H < S+ 0 0 11 -4,-0.9 2,-0.4 -5,-0.3 -3,-0.2 0.553 107.2 62.8-112.2 -13.2 18.9 21.2 80.7 117 123 A H S < S- 0 0 65 -4,-0.8 3,-0.2 -5,-0.1 24,-0.2 -0.940 78.8-120.4-120.4 138.4 21.5 19.9 78.2 118 124 A L S S+ 0 0 22 -2,-0.4 20,-0.1 1,-0.2 -2,-0.1 -0.281 91.2 30.0 -67.1 157.4 21.4 19.8 74.4 119 125 A L S S+ 0 0 5 18,-0.8 997,-1.1 1,-0.2 2,-0.4 0.961 82.0 135.4 56.2 59.7 21.5 16.5 72.6 120 126 A T E +L 1115 0E 2 17,-1.3 2,-0.3 -3,-0.2 995,-0.2 -0.947 20.4 134.7-139.6 117.1 19.9 14.3 75.2 121 127 A S E -L 1114 0E 12 993,-1.7 993,-2.0 -2,-0.4 3,-0.4 -0.989 55.2-134.9-157.8 159.6 17.2 11.7 74.3 122 128 A S S S+ 0 0 33 -2,-0.3 3,-0.4 991,-0.2 -1,-0.1 0.430 99.7 74.0 -94.2 -3.1 16.0 8.2 74.8 123 129 A N + 0 0 13 1,-0.2 -1,-0.2 991,-0.1 990,-0.1 0.001 64.2 100.4 -99.1 27.8 15.5 7.9 71.1 124 130 A Y + 0 0 1 -3,-0.4 2,-0.6 988,-0.3 -1,-0.2 0.719 64.6 75.1 -88.2 -22.7 19.1 7.6 70.3 125 131 A D - 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0 0 21 -69,-1.6 2,-0.4 -2,-0.3 -51,-0.1 -0.933 24.1-170.9-124.8 106.7 2.7 5.7 62.8 335 357 A I - 0 0 0 -2,-0.5 2,-0.3 -204,-0.1 21,-0.2 -0.823 25.7-117.7-102.8 134.8 6.2 5.5 61.2 336 358 A E S S- 0 0 48 19,-2.1 -205,-0.2 -2,-0.4 -207,-0.1 -0.527 87.9 -21.2 -71.0 127.1 9.1 3.6 62.7 337 359 A N S S- 0 0 21 -207,-2.9 -1,-0.3 -2,-0.3 -206,-0.1 0.886 90.4-154.6 36.4 65.9 12.0 5.8 63.6 338 360 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.130 7.9-147.1 -66.3 162.3 10.9 8.6 61.2 339 361 A A - 0 0 33 788,-0.0 10,-3.0 12,-0.0 11,-1.0 -0.990 15.8-170.6-132.5 142.3 13.3 11.1 59.6 340 362 A F B -R 348 0G 6 -2,-0.4 8,-0.2 8,-0.3 3,-0.1 -0.614 36.8-108.7-125.3-178.9 12.5 14.7 58.7 341 363 A T S S- 0 0 13 6,-1.2 2,-0.3 -2,-0.2 1110,-0.2 0.829 98.2 -5.0 -80.0 -35.4 13.9 17.7 56.9 342 364 A S S > S- 0 0 6 5,-0.2 3,-1.6 1107,-0.1 -1,-0.2 -0.893 82.4 -87.9-148.1 177.4 14.6 19.6 60.1 343 365 A Q T 3 S+ 0 0 13 -322,-1.1 -321,-0.1 1,-0.3 -204,-0.1 0.789 120.6 67.2 -61.5 -27.7 14.1 19.5 63.9 344 366 A T T 3 S- 0 0 5 -323,-0.2 -1,-0.3 1104,-0.2 -322,-0.1 0.756 96.4-146.2 -64.4 -24.0 10.7 21.1 63.4 345 367 A K < + 0 0 7 -3,-1.6 -56,-0.1 2,-0.1 3,-0.1 0.955 49.3 140.9 55.8 58.8 9.7 17.9 61.7 346 368 A E + 0 0 59 1,-0.2 -56,-1.6 -58,-0.2 -55,-0.7 0.651 66.0 43.2 -96.9 -21.4 7.3 19.4 59.2 347 369 A Q E S-q 291 0G 30 -57,-0.2 -6,-1.2 -5,-0.2 -55,-0.3 -0.948 73.6-145.6-135.9 113.4 8.3 17.1 56.3 348 370 A L E +qR 292 340G 1 -57,-1.6 -55,-1.5 -2,-0.4 -8,-0.3 -0.512 18.1 174.9 -73.9 140.9 8.9 13.4 56.5 349 371 A T + 0 0 35 -10,-3.0 2,-0.2 -57,-0.2 -9,-0.2 0.406 32.9 129.6-124.4 -6.2 11.6 12.0 54.3 350 372 A T - 0 0 14 -11,-1.0 5,-0.1 1,-0.1 -2,-0.1 -0.352 65.4-114.4 -57.0 118.3 11.6 8.3 55.5 351 373 A R > - 0 0 32 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.146 21.9-115.2 -52.4 149.0 11.4 6.1 52.4 352 374 A V G > S+ 0 0 57 1,-0.3 3,-1.9 2,-0.2 5,-0.3 0.862 113.4 61.1 -56.1 -40.4 8.2 4.1 52.1 353 375 A K G 3 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.560 104.4 50.7 -68.8 -6.6 10.0 0.8 52.4 354 376 A D G < S+ 0 0 65 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.322 76.0 105.6-110.2 5.5 11.2 1.8 55.8 355 377 A F S < S- 0 0 0 -3,-1.9 -19,-2.1 -4,-0.2 -2,-0.1 0.778 83.3-129.3 -56.0 -30.1 7.8 2.8 57.2 356 378 A G S S+ 0 0 36 -4,-0.2 2,-0.2 -21,-0.2 -1,-0.1 0.603 85.5 34.1 83.6 13.5 7.6 -0.3 59.3 357 379 A S S S- 0 0 37 -5,-0.3 2,-0.3 -21,-0.1 -2,-0.1 -0.880 76.0-127.9 175.0 155.8 4.2 -0.9 57.8 358 380 A R - 0 0 190 -2,-0.2 2,-0.5 -3,-0.1 -93,-0.2 -0.860 4.4-152.8-121.6 157.4 2.3 -0.5 54.6 359 381 A C - 0 0 0 -2,-0.3 2,-0.7 -94,-0.1 -96,-0.0 -0.965 11.1-169.3-130.8 109.8 -1.1 1.1 53.7 360 382 A E - 0 0 118 -2,-0.5 -62,-0.1 -98,-0.1 -2,-0.0 -0.912 21.2-136.0-105.0 112.8 -2.8 -0.3 50.6 361 383 A I - 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0 0 13 -11,-1.0 5,-0.1 1,-0.1 -2,-0.1 -0.352 65.4-114.4 -56.9 118.3 13.2 34.2 53.9 1458 373 F R > - 0 0 32 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.145 21.9-115.2 -52.4 149.0 10.1 36.4 53.7 1459 374 F V G > S+ 0 0 57 1,-0.3 3,-1.9 2,-0.2 5,-0.3 0.862 113.4 61.0 -56.1 -40.4 9.8 38.4 50.5 1460 375 F K G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.560 104.4 50.7 -68.8 -6.6 10.1 41.7 52.4 1461 376 F D G < S+ 0 0 63 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.322 76.0 105.6-110.2 5.5 13.5 40.7 53.5 1462 377 F F S < S- 0 0 0 -3,-1.9 -19,-2.1 -4,-0.2 -2,-0.1 0.777 83.3-129.3 -56.0 -30.2 14.9 39.7 50.1 1463 378 F G S S+ 0 0 35 -4,-0.2 2,-0.2 -21,-0.2 -1,-0.1 0.602 85.5 34.1 83.6 13.5 17.0 42.8 49.9 1464 379 F S S S- 0 0 35 -5,-0.3 2,-0.3 -21,-0.1 -2,-0.1 -0.881 76.1-127.9 175.0 155.8 15.5 43.4 46.5 1465 380 F R - 0 0 189 -2,-0.2 2,-0.5 -3,-0.1 -93,-0.2 -0.860 4.3-152.8-121.6 157.4 12.2 43.0 44.6 1466 381 F C - 0 0 0 -2,-0.3 2,-0.7 -94,-0.1 -96,-0.0 -0.965 11.1-169.3-130.9 109.7 11.4 41.4 41.2 1467 382 F E - 0 0 118 -2,-0.5 -62,-0.1 -98,-0.1 -2,-0.0 -0.912 21.2-135.9-105.0 112.8 8.3 42.8 39.5 1468 383 F I - 0 0 3 -2,-0.7 -2,-0.0 -63,-0.1 5,-0.0 -0.598 26.4-129.1 -70.7 117.8 7.4 40.6 36.6 1469 384 F P > - 0 0 34 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 -0.122 9.5-121.3 -66.8 162.1 6.5 43.0 33.7 1470 385 F L H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 111.6 62.1 -72.1 -35.7 3.4 42.9 31.6 1471 386 F E H > S+ 0 0 119 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.878 102.7 51.3 -56.2 -39.4 5.4 42.4 28.4 1472 387 F Y H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-1.0 0.934 109.4 49.1 -63.8 -47.3 6.7 39.2 29.9 1473 388 F I H 3X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.3 -2,-0.2 0.861 106.1 56.4 -61.8 -38.8 3.2 37.9 30.7 1474 389 F N H 3< S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.664 107.3 50.3 -70.1 -15.2 1.9 38.7 27.2 1475 390 F K H X< S+ 0 0 81 -3,-1.0 3,-1.7 -4,-0.6 -2,-0.2 0.839 106.1 52.7 -87.9 -40.4 4.7 36.5 25.7 1476 391 F I H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.3 6,-0.5 0.870 104.7 58.8 -55.7 -36.8 3.8 33.6 28.0 1477 392 F M T 3< S+ 0 0 47 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.528 96.9 62.4 -73.1 -5.0 0.3 34.1 26.6 1478 393 F K T < S+ 0 0 155 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.430 94.9 76.9 -96.7 -1.6 1.8 33.5 23.2 1479 394 F T S X> S- 0 0 13 -3,-1.7 3,-1.4 -4,-0.2 4,-0.8 -0.389 104.9 -87.4 -99.1-179.4 2.9 30.0 24.0 1480 395 F D H 3> S+ 0 0 107 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.750 115.9 78.4 -60.4 -25.1 0.8 26.8 24.3 1481 396 F L H 3> S+ 0 0 0 -5,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.853 95.3 47.6 -54.2 -36.6 0.0 27.6 28.0 1482 397 F A H <> S+ 0 0 18 -3,-1.4 4,-2.2 -6,-0.5 3,-0.5 0.972 109.8 47.8 -69.1 -57.3 -2.6 30.1 26.8 1483 398 F T H X S+ 0 0 53 -4,-0.8 4,-0.5 1,-0.2 -1,-0.2 0.646 110.7 59.0 -58.8 -13.0 -4.3 27.9 24.2 1484 399 F R H X S+ 0 0 71 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.895 106.0 43.2 -80.3 -45.9 -4.3 25.4 27.1 1485 400 F M H X S+ 0 0 4 -4,-1.6 4,-1.9 -3,-0.5 -2,-0.2 0.784 109.1 57.8 -73.9 -28.4 -6.2 27.6 29.5 1486 401 F F H < S+ 0 0 63 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.818 103.0 56.1 -66.2 -31.2 -8.7 28.6 26.8 1487 402 F E H < S+ 0 0 102 -4,-0.5 -2,-0.2 -5,-0.3 -1,-0.2 0.837 113.5 38.7 -69.0 -34.4 -9.4 24.8 26.4 1488 403 F I H < 0 0 52 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.720 360.0 360.0 -85.6 -24.6 -10.3 24.6 30.1 1489 404 F A < 0 0 42 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.913 360.0 360.0 -72.1 360.0 -12.1 28.0 30.0 1490 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1491 421 F S 0 0 106 0, 0.0 2,-0.2 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 130.5 -33.7 29.9 46.1 1492 422 F R - 0 0 91 14,-0.1 2,-0.5 9,-0.0 11,-0.0 -0.760 360.0-117.9-121.4 169.3 -33.6 30.1 42.3 1493 423 F I + 0 0 33 -2,-0.2 8,-0.2 1,-0.1 6,-0.0 -0.943 28.5 167.6-115.0 124.2 -31.8 28.2 39.5 1494 424 F T + 0 0 119 -2,-0.5 -1,-0.1 1,-0.1 5,-0.0 0.590 67.5 82.1-101.6 -17.5 -29.3 29.8 37.2 1495 425 F N S S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.1 72,-0.0 0.802 93.4 46.6 -58.2 -31.7 -28.0 26.5 35.8 1496 426 F Y > - 0 0 35 1,-0.2 3,-0.6 71,-0.1 -1,-0.2 -0.905 62.2-172.9-124.9 104.9 -30.9 26.2 33.3 1497 427 F P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.926 83.9 55.2 -58.2 -50.2 -32.0 29.2 31.2 1498 428 F K T 3 S+ 0 0 93 2,-0.1 2,-0.2 45,-0.1 43,-0.1 0.767 84.9 110.7 -60.0 -23.7 -35.1 27.8 29.6 1499 429 F L < - 0 0 10 -3,-0.6 2,-1.2 1,-0.1 43,-0.2 -0.302 56.1-158.2 -67.1 120.8 -36.5 27.0 33.0 1500 430 F E B -G 1541 0Y 43 41,-2.0 41,-1.0 -2,-0.2 2,-0.4 -0.764 23.4-154.6 -91.8 87.2 -39.5 29.1 34.1 1501 431 F D - 0 0 24 -2,-1.2 39,-0.1 39,-0.2 38,-0.1 -0.495 18.6-113.4 -72.9 121.1 -39.0 28.5 37.8 1502 432 F A > - 0 0 1 -2,-0.4 3,-2.2 1,-0.1 35,-0.2 -0.245 26.1-121.5 -50.3 134.3 -42.2 28.9 39.9 1503 433 F N T 3 S+ 0 0 31 33,-0.5 34,-0.2 1,-0.3 -1,-0.1 0.824 111.9 38.4 -52.3 -34.7 -41.8 31.9 42.2 1504 434 F K T > >S+ 0 0 42 33,-1.9 3,-1.0 32,-0.3 5,-0.6 0.298 85.4 145.2 -97.4 9.0 -42.3 29.8 45.3 1505 435 F A T < 5S- 0 0 1 -3,-2.2 83,-0.2 1,-0.3 5,-0.1 -0.277 74.8 -1.1 -67.0 121.1 -40.4 26.7 44.1 1506 436 F G T 3 5S+ 0 0 33 81,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.019 109.6 114.9 92.9 -24.4 -38.5 24.8 46.8 1507 437 F T T X 5S- 0 0 62 -3,-1.0 3,-3.3 2,-0.1 -1,-0.3 0.113 97.4 -65.2 -68.1-179.3 -39.7 27.4 49.3 1508 438 F K T 3 5S+ 0 0 193 1,-0.4 3,-0.2 2,-0.1 -1,-0.1 0.627 141.7 51.9 -58.3 -11.6 -42.0 26.6 52.2 1509 439 F E T >>< + 0 0 42 -5,-0.6 4,-1.9 1,-0.2 3,-0.7 -0.049 68.5 123.8-113.4 29.6 -44.5 25.9 49.5 1510 440 F G T <4 S+ 0 0 4 -3,-3.3 79,-0.5 -4,-0.2 80,-0.3 0.811 74.4 54.3 -57.9 -30.9 -42.3 23.5 47.5 1511 441 F Y T 34 S+ 0 0 94 -3,-0.2 -1,-0.2 77,-0.2 -2,-0.1 0.770 107.6 49.1 -76.6 -27.5 -45.1 20.8 47.9 1512 442 F K T <4 S+ 0 0 99 -3,-0.7 -2,-0.2 -8,-0.1 -1,-0.2 0.925 92.5 87.0 -77.4 -47.7 -47.8 23.1 46.4 1513 443 F C < - 0 0 0 -4,-1.9 76,-1.7 74,-0.2 77,-1.2 -0.058 66.7-143.9 -56.8 155.0 -46.0 24.3 43.3 1514 444 F T E -hi15391590Y 7 24,-1.9 26,-2.7 75,-0.2 2,-0.5 -0.983 1.9-147.9-128.5 131.5 -46.1 22.2 40.1 1515 445 F L E -hi15401591Y 0 75,-2.7 77,-2.7 -2,-0.4 2,-0.7 -0.860 13.1-152.3 -98.8 125.1 -43.4 21.7 37.4 1516 446 F V E -hi15411592Y 13 24,-1.8 26,-2.1 -2,-0.5 2,-0.4 -0.848 4.8-159.6-103.2 108.6 -44.7 21.3 33.9 1517 447 F L E -hi15421593Y 3 75,-2.4 77,-2.6 -2,-0.7 2,-0.4 -0.703 15.0-156.6 -85.1 134.3 -42.4 19.2 31.6 1518 448 F T E -hi15431594Y 0 24,-2.2 26,-2.0 -2,-0.4 2,-1.2 -0.910 19.9-128.1-121.9 139.6 -43.1 19.9 27.9 1519 449 F E E > S-h 1544 0Y 21 75,-2.6 4,-0.8 -2,-0.4 3,-0.2 -0.702 81.7 -24.1 -81.6 97.9 -42.5 17.9 24.7 1520 450 F G H > S- 0 0 11 24,-1.3 4,-2.4 -2,-1.2 24,-0.1 0.100 85.9 -74.5 84.5 162.2 -40.6 20.3 22.5 1521 451 F D H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.611 127.6 63.3 -72.4 -12.4 -40.4 24.1 22.5 1522 452 F S H > S+ 0 0 10 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.977 108.6 38.7 -68.3 -62.7 -43.9 24.2 20.9 1523 453 F A H X S+ 0 0 7 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.899 116.1 55.9 -49.9 -44.2 -45.4 22.6 24.0 1524 454 F L H X S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.950 105.9 48.5 -56.1 -52.5 -43.0 24.8 26.0 1525 455 F S H X S+ 0 0 19 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.914 111.1 51.6 -55.1 -44.7 -44.2 28.0 24.4 1526 456 F L H X S+ 0 0 20 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.929 111.1 47.7 -57.6 -46.0 -47.8 26.9 25.1 1527 457 F A H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 3,-0.3 0.941 109.5 50.4 -62.1 -50.5 -47.0 26.2 28.8 1528 458 F V H X S+ 0 0 38 -4,-2.8 4,-0.7 1,-0.3 -1,-0.2 0.831 109.7 53.9 -58.5 -30.9 -45.2 29.5 29.3 1529 459 F A H >< S+ 0 0 39 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.3 0.866 104.4 54.8 -67.0 -36.6 -48.3 31.1 27.7 1530 460 F G H >X S+ 0 0 1 -4,-1.6 4,-2.3 -3,-0.3 3,-2.3 0.792 93.8 68.3 -67.3 -30.0 -50.3 29.2 30.3 1531 461 F L H 3X S+ 0 0 7 -4,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.861 90.4 63.9 -54.3 -35.9 -48.3 30.8 33.1 1532 462 F A H << S+ 0 0 19 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.467 113.1 34.4 -69.3 -0.4 -49.9 34.1 32.1 1533 463 F V H <4 S+ 0 0 58 -3,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.649 123.0 38.8-121.5 -35.3 -53.2 32.5 33.2 1534 464 F V H < S- 0 0 36 -4,-2.3 4,-0.3 1,-0.1 -3,-0.2 0.373 108.4-114.2-103.3 3.8 -52.4 30.2 36.1 1535 465 F G < - 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