==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 19-JUN-10 3NKH . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR Y.KIM,C.TESAR,P.GORNICKI,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 446 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 3 1 0 2 0 0 0 0 0 4 0 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -3 A Q 0 0 183 0, 0.0 198,-0.0 0, 0.0 199,-0.0 0.000 360.0 360.0 360.0-163.3 0.1 12.1 48.5 2 -2 A S + 0 0 55 1,-0.1 202,-0.1 201,-0.1 201,-0.1 0.758 360.0 34.6 -94.8 -36.3 -2.3 9.6 50.0 3 -1 A N S S+ 0 0 90 1,-0.1 2,-1.6 200,-0.1 -1,-0.1 0.035 84.0 123.3-103.5 26.1 -5.4 10.7 48.0 4 0 A A + 0 0 28 156,-0.0 2,-0.3 2,-0.0 165,-0.1 -0.477 50.6 86.0 -91.2 64.3 -3.4 11.6 44.8 5 1 A Y - 0 0 16 -2,-1.6 2,-0.3 164,-0.1 162,-0.1 -0.957 67.2-117.9-151.7 168.7 -5.2 9.4 42.3 6 2 A L - 0 0 3 160,-0.5 2,-0.3 -2,-0.3 167,-0.1 -0.793 23.7-115.4-110.1 153.6 -8.3 9.4 40.0 7 3 A E >> - 0 0 68 -2,-0.3 4,-1.9 1,-0.1 3,-1.2 -0.649 31.9-113.5 -78.9 141.9 -11.4 7.3 39.9 8 4 A L H 3> S+ 0 0 55 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.877 118.3 53.4 -35.8 -50.0 -11.9 5.1 36.8 9 5 A N H 3> S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.834 105.7 52.7 -67.7 -29.5 -14.8 7.2 35.8 10 6 A E H <> S+ 0 0 37 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.887 112.5 45.8 -65.5 -37.2 -12.8 10.4 36.0 11 7 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.898 109.2 54.3 -74.5 -39.5 -10.2 8.8 33.7 12 8 A E H X S+ 0 0 96 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.927 109.3 49.1 -58.3 -42.8 -12.8 7.5 31.3 13 9 A S H X S+ 0 0 41 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.853 109.4 51.8 -69.6 -34.9 -14.1 11.0 31.0 14 10 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.957 110.1 48.4 -60.6 -50.0 -10.6 12.4 30.4 15 11 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.860 110.5 51.6 -63.1 -35.9 -10.0 9.9 27.6 16 12 A K H X S+ 0 0 153 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.905 109.4 49.9 -70.9 -40.1 -13.4 10.7 26.0 17 13 A D H X S+ 0 0 32 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 112.6 46.9 -59.7 -46.6 -12.6 14.4 26.0 18 14 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 111.1 50.8 -64.8 -42.6 -9.2 13.8 24.4 19 15 A N H X S+ 0 0 58 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.872 109.1 53.6 -62.2 -31.4 -10.6 11.6 21.7 20 16 A T H X S+ 0 0 81 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.941 108.4 47.2 -69.5 -47.7 -13.2 14.3 21.1 21 17 A K H X S+ 0 0 35 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.874 109.9 56.0 -55.4 -37.2 -10.5 16.9 20.5 22 18 A A H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.887 106.2 50.7 -65.6 -36.3 -8.7 14.4 18.3 23 19 A Q H < S+ 0 0 128 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 107.4 50.0 -76.1 -29.6 -11.8 14.0 16.1 24 20 A K H < S+ 0 0 156 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.662 90.2 107.7 -81.4 -11.3 -12.4 17.7 15.5 25 21 A X < - 0 0 36 -4,-0.8 -3,-0.0 -3,-0.4 -4,-0.0 -0.338 45.8-173.7 -73.4 142.1 -8.8 18.2 14.5 26 22 A H + 0 0 185 -2,-0.1 2,-0.2 5,-0.0 -1,-0.1 0.862 64.4 83.4 -97.4 -45.1 -7.8 18.9 10.9 27 23 A S S > S- 0 0 51 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.412 70.9-147.7 -57.1 122.0 -4.0 18.9 11.2 28 24 A G H > S+ 0 0 52 -2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.815 97.8 57.7 -63.5 -32.2 -2.9 15.2 11.1 29 25 A I H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.966 110.5 41.3 -60.8 -54.7 -0.1 16.1 13.4 30 26 A H H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.928 112.7 55.2 -59.6 -45.0 -2.4 17.4 16.1 31 27 A K H X S+ 0 0 56 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.925 108.3 48.7 -53.8 -45.2 -4.8 14.6 15.5 32 28 A R H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.921 109.6 52.4 -65.0 -42.6 -2.0 12.1 16.1 33 29 A F H X S+ 0 0 23 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.971 115.5 39.4 -55.3 -55.8 -0.9 13.8 19.3 34 30 A Y H X S+ 0 0 42 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 114.8 52.5 -64.6 -46.8 -4.4 13.8 20.8 35 31 A L H X S+ 0 0 26 -4,-3.2 4,-1.8 -5,-0.3 -1,-0.2 0.942 114.3 44.0 -46.9 -51.6 -5.2 10.3 19.6 36 32 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 -2,-0.2 0.871 108.2 55.2 -70.6 -37.6 -2.0 9.0 21.1 37 33 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.912 107.5 52.4 -61.5 -37.6 -2.4 10.8 24.4 38 34 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 111.7 45.7 -61.7 -45.3 -5.8 9.2 24.8 39 35 A L H X S+ 0 0 18 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.910 114.2 48.6 -61.5 -45.5 -4.2 5.8 24.2 40 36 A X H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.880 107.7 54.6 -64.4 -40.2 -1.3 6.5 26.6 41 37 A T H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.960 114.3 40.4 -59.4 -51.6 -3.7 7.8 29.3 42 38 A E H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.946 113.5 54.7 -60.9 -47.1 -5.6 4.6 29.2 43 39 A F H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 5,-0.2 0.893 111.1 43.9 -57.9 -41.5 -2.6 2.4 28.8 44 40 A Q H >X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 3,-0.7 0.899 112.0 51.9 -72.8 -40.0 -0.9 3.8 31.9 45 41 A A H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.856 114.6 45.5 -61.8 -32.8 -4.1 3.7 34.0 46 42 A L H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.555 127.0 25.5 -87.9 -8.0 -4.4 0.0 33.0 47 43 A N H << S- 0 0 0 -3,-0.7 -2,-0.2 -4,-0.7 -3,-0.2 0.566 84.0-140.1-135.0 -19.0 -0.7 -0.9 33.6 48 44 A G < + 0 0 0 -4,-3.1 -4,-0.1 -5,-0.2 -3,-0.1 0.549 46.7 142.6 79.6 6.7 0.9 1.4 36.1 49 45 A X - 0 0 0 1,-0.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.311 57.6 -94.2 -77.6 164.6 4.3 1.9 34.6 50 46 A R > - 0 0 67 139,-0.1 4,-2.0 1,-0.1 3,-0.4 -0.410 33.2-115.0 -71.4 159.2 6.2 5.1 34.8 51 47 A I H > S+ 0 0 20 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.909 117.3 56.0 -65.5 -40.0 5.8 7.5 31.8 52 48 A G H > S+ 0 0 20 1,-0.2 23,-0.7 2,-0.2 4,-0.6 0.813 109.5 47.4 -59.7 -32.1 9.5 7.1 31.0 53 49 A E H 4 S+ 0 0 12 -3,-0.4 4,-0.3 2,-0.2 -1,-0.2 0.854 110.8 50.0 -77.1 -37.2 9.0 3.3 30.8 54 50 A X H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 78,-0.3 0.908 108.0 53.5 -71.3 -39.0 5.9 3.6 28.7 55 51 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 77,-0.2 0.772 105.0 57.3 -64.0 -24.0 7.7 5.9 26.2 56 52 A A T 3< S+ 0 0 1 -4,-0.6 -1,-0.2 17,-0.3 -2,-0.2 0.495 76.7 121.6 -88.5 -3.6 10.5 3.3 25.9 57 53 A I < - 0 0 3 -3,-1.3 74,-1.8 -4,-0.3 75,-0.4 -0.380 42.4-170.2 -63.8 134.9 8.2 0.5 24.8 58 54 A Q B > -A 130 0A 31 72,-0.2 3,-1.9 73,-0.1 4,-0.5 -0.850 37.4-103.1-125.8 164.2 9.2 -0.9 21.4 59 55 A N G > S+ 0 0 47 70,-1.9 3,-1.6 -2,-0.3 71,-0.1 0.883 120.1 53.9 -54.6 -42.0 7.5 -3.4 19.0 60 56 A E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 69,-0.2 -3,-0.0 0.690 96.0 68.2 -67.9 -18.1 9.8 -6.2 20.1 61 57 A D G < S+ 0 0 14 -3,-1.9 9,-2.3 8,-0.1 2,-0.3 0.612 88.6 81.9 -75.9 -12.3 8.9 -5.7 23.8 62 58 A I E < -B 69 0B 17 -3,-1.6 2,-0.4 -4,-0.5 7,-0.2 -0.746 55.0-170.3-101.5 142.0 5.4 -6.9 23.2 63 59 A D E > +B 68 0B 56 5,-2.2 5,-1.8 -2,-0.3 4,-0.4 -0.837 5.8 178.7-129.7 91.9 4.2 -10.5 23.0 64 60 A F T 5S+ 0 0 66 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.757 78.9 59.5 -69.6 -26.5 0.6 -10.5 21.9 65 61 A D T 5S+ 0 0 152 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.942 117.7 30.5 -65.6 -47.1 0.4 -14.3 21.9 66 62 A N T 5S- 0 0 118 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.307 105.0-127.6 -93.1 9.1 1.2 -14.4 25.6 67 63 A K T 5 + 0 0 70 -4,-0.4 33,-3.4 1,-0.2 2,-0.3 0.899 64.7 129.2 44.4 52.4 -0.4 -11.1 26.4 68 64 A S E < -BC 63 99B 28 -5,-1.8 -5,-2.2 31,-0.3 2,-0.4 -0.962 46.5-151.0-136.3 155.0 2.7 -9.8 28.2 69 65 A L E -BC 62 98B 0 29,-2.7 29,-2.6 -2,-0.3 2,-0.6 -0.979 10.2-145.2-128.4 133.3 5.0 -6.8 28.0 70 66 A N E - C 0 97B 36 -9,-2.3 2,-0.7 -2,-0.4 27,-0.2 -0.899 11.9-160.1-102.0 117.4 8.7 -6.7 28.8 71 67 A I E + C 0 96B 6 25,-3.3 25,-2.0 -2,-0.6 -17,-0.1 -0.889 29.5 148.1-103.3 110.8 9.7 -3.4 30.4 72 68 A N + 0 0 39 -2,-0.7 2,-0.3 23,-0.2 -1,-0.1 0.159 51.7 2.5-140.6 18.7 13.4 -2.9 30.1 73 69 A G - 0 0 15 -20,-0.1 2,-0.3 21,-0.1 -17,-0.3 -0.982 53.2-126.4-175.0-173.3 14.5 0.7 29.7 74 70 A T E -D 89 0C 58 15,-1.0 15,-3.0 -2,-0.3 2,-0.4 -0.917 37.7 -84.3-138.9 170.0 13.6 4.4 29.7 75 71 A I E -D 88 0C 12 -23,-0.7 2,-0.5 -2,-0.3 13,-0.2 -0.596 24.1-156.7 -80.3 130.6 14.1 7.3 27.4 76 72 A H E -D 87 0C 75 11,-3.3 11,-3.1 -2,-0.4 2,-1.7 -0.931 24.0-133.4 -93.3 125.8 17.3 9.5 27.4 77 73 A W E + 0 0 89 -2,-0.5 2,-0.3 9,-0.2 8,-0.0 -0.544 65.2 93.4 -88.3 78.7 16.3 12.8 25.9 78 74 A F E S- 0 0 108 -2,-1.7 8,-2.4 6,-0.0 2,-0.3 -0.933 77.8 -88.0-149.0 171.4 19.0 13.7 23.4 79 75 A H E -D 85 0C 124 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.660 35.0-143.1 -84.4 137.3 19.4 13.2 19.6 80 76 A D > - 0 0 52 4,-2.3 3,-2.3 -2,-0.3 -1,-0.0 -0.344 41.4 -84.5 -84.5 178.3 20.9 10.0 18.2 81 77 A E T 3 S+ 0 0 203 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.768 127.8 57.5 -55.4 -30.7 23.2 9.9 15.1 82 78 A S T 3 S- 0 0 65 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.378 118.1-106.3 -80.2 1.4 20.2 9.7 12.8 83 79 A G S < S+ 0 0 48 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.231 74.9 142.1 86.2 -18.8 18.6 13.0 14.1 84 80 A G - 0 0 2 -5,-0.1 -4,-2.3 1,-0.1 2,-0.5 -0.265 47.7-134.2 -52.6 140.7 16.0 11.0 15.9 85 81 A F E S+D 79 0C 42 -6,-0.2 -6,-0.2 -3,-0.1 -8,-0.1 -0.901 70.4 31.1-107.9 129.3 15.2 12.6 19.3 86 82 A G E - 0 0 0 -8,-2.4 2,-0.4 -2,-0.5 -9,-0.2 0.574 68.3-150.5 94.0 116.2 14.9 10.4 22.4 87 83 A V E -D 76 0C 36 -11,-3.1 -11,-3.3 -8,-0.1 2,-0.4 -0.917 16.4-114.4-124.5 140.3 17.0 7.3 22.8 88 84 A K E -D 75 0C 35 -2,-0.4 2,-0.6 -13,-0.2 -13,-0.2 -0.611 21.2-150.9 -81.7 126.9 16.3 4.1 24.7 89 85 A D E +D 74 0C 43 -15,-3.0 -15,-1.0 -2,-0.4 -33,-0.0 -0.849 15.7 178.6 -93.7 120.0 18.5 3.2 27.6 90 86 A T 0 0 111 -2,-0.6 -1,-0.2 -17,-0.2 -2,-0.0 0.843 360.0 360.0 -84.8 -42.8 18.9 -0.6 28.3 91 87 A T 0 0 155 2,-0.0 -2,-0.1 -18,-0.0 0, 0.0 0.251 360.0 360.0 -11.3 360.0 21.3 -0.3 31.2 92 ! 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 93 91 A S 0 0 163 0, 0.0 -2,-0.0 0, 0.0 -21,-0.0 0.000 360.0 360.0 360.0 46.3 16.8 -3.1 37.9 94 92 A S + 0 0 57 96,-0.1 -23,-0.1 2,-0.1 98,-0.1 0.409 360.0 132.7 -92.8 -6.1 13.2 -2.0 37.7 95 93 A Y + 0 0 138 -23,-0.1 2,-0.3 95,-0.1 -23,-0.2 -0.186 29.3 146.5 -46.4 127.4 13.2 -4.3 34.6 96 94 A R E -C 71 0B 21 -25,-2.0 -25,-3.3 92,-0.1 2,-0.5 -0.988 46.0-120.6-162.9 163.2 10.2 -6.6 34.6 97 95 A T E -C 70 0B 81 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.966 32.7-177.5-116.7 127.8 7.6 -8.4 32.6 98 96 A I E -C 69 0B 10 -29,-2.6 -29,-2.7 -2,-0.5 2,-0.3 -0.788 26.3-104.5-122.2 169.2 3.9 -7.7 33.2 99 97 A G E -C 68 0B 15 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.3 -0.644 26.0-144.0 -94.7 147.5 0.7 -9.0 31.9 100 98 A L - 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0 0 60 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 -0.235 40.6-136.9 -62.7 145.7 -11.5 -14.2 83.3 316 88 B K S S+ 0 0 175 1,-0.2 5,-0.2 3,-0.1 -1,-0.1 0.840 89.6 63.2 -76.1 -39.0 -9.2 -11.5 81.9 317 89 B T S S+ 0 0 137 1,-0.3 2,-3.3 2,-0.1 -1,-0.2 0.888 94.3 60.1 -60.4 -49.0 -6.0 -13.4 81.0 318 90 B E S S+ 0 0 80 -3,-0.1 2,-0.8 2,-0.0 -1,-0.3 -0.313 91.1 173.0 -68.0 56.2 -7.5 -15.6 78.4 319 91 B S + 0 0 81 -2,-3.3 -3,-0.1 1,-0.2 -2,-0.1 -0.651 32.7 130.9 -84.4 107.3 -8.3 -12.2 76.9 320 92 B S + 0 0 24 -2,-0.8 -1,-0.2 96,-0.1 -23,-0.1 0.024 36.0 150.3-124.5 21.5 -9.7 -12.1 73.4 321 93 B Y + 0 0 65 -5,-0.2 2,-0.3 -25,-0.1 -25,-0.2 -0.305 14.8 147.6 -68.1 132.2 -12.4 -9.7 74.6 322 94 B R E -H 295 0F 25 -27,-1.6 -27,-3.0 -2,-0.1 2,-0.5 -0.972 45.6-120.9-158.1 157.1 -13.6 -7.3 71.9 323 95 B T E -H 294 0F 83 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.940 33.9-170.8-108.0 133.2 -16.6 -5.5 70.6 324 96 B I E -H 293 0F 8 -31,-2.5 -31,-2.9 -2,-0.5 2,-0.2 -0.885 23.8-108.5-124.3 158.2 -17.7 -6.3 67.1 325 97 B G E -H 292 0F 20 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.3 -0.596 28.9-146.5 -81.9 144.4 -20.2 -4.8 64.7 326 98 B L - 0 0 3 -35,-3.0 2,-0.1 -2,-0.2 -55,-0.1 -0.907 7.3-135.6-110.0 141.8 -23.5 -6.6 63.9 327 99 B S > - 0 0 5 -2,-0.4 4,-2.7 -57,-0.1 5,-0.2 -0.451 32.3-103.9 -84.7 164.4 -25.3 -6.6 60.6 328 100 B S H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 124.4 52.6 -54.8 -38.5 -29.1 -6.2 60.4 329 101 B R H > S+ 0 0 35 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.929 108.0 50.2 -66.2 -42.8 -29.4 -9.9 59.7 330 102 B S H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.934 110.8 49.6 -62.4 -43.4 -27.3 -10.7 62.8 331 103 B C H X S+ 0 0 15 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.910 110.1 51.3 -55.9 -43.2 -29.5 -8.4 64.9 332 104 B E H X S+ 0 0 95 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.956 109.4 50.6 -59.2 -52.1 -32.6 -10.1 63.4 333 105 B I H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.930 111.8 46.8 -52.7 -52.3 -31.1 -13.5 64.3 334 106 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.934 110.4 52.5 -57.1 -47.6 -30.5 -12.4 67.9 335 107 B K H X S+ 0 0 122 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 109.0 51.7 -58.1 -36.8 -34.0 -10.9 68.3 336 108 B K H X S+ 0 0 97 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.950 110.8 45.5 -65.7 -46.3 -35.4 -14.2 67.1 337 109 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 114.1 49.3 -64.5 -42.6 -33.5 -16.3 69.6 338 110 B I H X S+ 0 0 18 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.922 108.4 52.3 -64.2 -46.2 -34.3 -13.9 72.5 339 111 B L H X S+ 0 0 89 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.925 110.0 49.5 -54.6 -46.4 -38.0 -13.8 71.7 340 112 B E H X S+ 0 0 38 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.907 109.6 51.8 -61.1 -41.6 -38.1 -17.6 71.8 341 113 B N H X S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.875 106.2 54.9 -64.6 -34.4 -36.3 -17.5 75.1 342 114 B K H X S+ 0 0 123 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.950 105.6 51.6 -64.8 -46.6 -38.9 -15.1 76.5 343 115 B K H X S+ 0 0 94 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.955 114.9 43.2 -46.6 -56.7 -41.7 -17.5 75.6 344 116 B D H X S+ 0 0 27 -4,-2.0 4,-2.3 1,-0.2 7,-0.3 0.860 109.8 55.3 -62.6 -41.3 -39.9 -20.3 77.4 345 117 B S H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.941 115.1 40.1 -61.0 -43.7 -39.0 -18.3 80.3 346 118 B K H < S+ 0 0 149 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.886 130.1 23.7 -69.7 -37.8 -42.6 -17.3 80.9 347 119 B W H < S+ 0 0 199 -4,-2.6 2,-0.7 -5,-0.2 -3,-0.2 0.748 103.0 76.7-106.3 -27.5 -44.3 -20.7 80.1 348 120 B N >< - 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0 0 17 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.654 27.8-164.7 -75.6 127.2 -21.1 -31.4 51.3 385 157 B D + 0 0 139 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.027 51.3 109.0-105.6 28.0 -18.1 -33.8 51.4 386 158 B K S S- 0 0 29 -7,-0.1 2,-0.5 -160,-0.0 -158,-0.1 -0.657 78.4-104.2 -93.6 158.8 -16.0 -31.6 53.8 387 159 B E - 0 0 179 -160,-0.3 2,-0.4 -2,-0.2 -2,-0.1 -0.714 50.4-162.4 -75.6 122.7 -15.2 -32.4 57.5 388 160 B V + 0 0 7 -2,-0.5 2,-0.3 -16,-0.1 -12,-0.1 -0.902 29.4 131.2-124.7 146.5 -17.4 -30.1 59.5 389 161 B S S >> S- 0 0 14 -2,-0.4 3,-1.4 -14,-0.1 4,-0.8 -0.920 73.7 -73.8-162.1 176.8 -17.8 -28.6 63.0 390 162 B S H >> S+ 0 0 4 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 0.852 124.0 69.1 -44.6 -38.9 -18.4 -25.2 64.5 391 163 B H H 3> S+ 0 0 94 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.842 90.8 57.9 -52.0 -41.5 -14.7 -24.3 63.5 392 164 B I H <> S+ 0 0 8 -3,-1.4 4,-2.8 1,-0.2 -162,-0.5 0.847 102.8 55.1 -64.0 -31.3 -15.4 -24.4 59.8 393 165 B L H S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.868 110.7 53.0 -70.8 -32.0 -13.7 -11.2 55.0 402 174 B S H ><5S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.929 107.9 49.2 -65.4 -44.2 -10.6 -12.0 53.1 403 175 B Q H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.0 59.4 -67.4 -18.4 -12.5 -12.2 49.8 404 176 B Q T 3<5S- 0 0 42 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.344 119.7-110.3 -91.5 9.8 -14.0 -8.8 50.7 405 177 B G T < 5 + 0 0 16 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.793 59.9 160.5 69.3 30.4 -10.6 -7.3 50.8 406 178 B V < - 0 0 2 -5,-2.4 -1,-0.2 1,-0.1 -200,-0.1 -0.654 43.4-112.1 -80.4 136.1 -10.5 -6.7 54.6 407 179 B S > - 0 0 23 -202,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.278 20.6-117.5 -65.1 156.5 -7.0 -6.2 56.0 408 180 B L H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 116.4 56.2 -61.9 -40.7 -5.5 -8.9 58.2 409 181 B K H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 110.2 45.5 -55.1 -45.2 -5.3 -6.4 61.1 410 182 B A H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.920 111.7 50.6 -68.4 -42.8 -9.1 -5.7 60.7 411 183 B I H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.6 0.950 110.1 51.6 -53.9 -49.0 -9.9 -9.4 60.5 412 184 B X H 3X S+ 0 0 17 -4,-2.9 4,-1.6 1,-0.3 -2,-0.2 0.876 106.9 52.4 -60.3 -38.9 -7.9 -10.0 63.6 413 185 B D H 3< S+ 0 0 74 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.809 115.9 41.5 -66.4 -29.4 -9.8 -7.2 65.5 414 186 B R H << S+ 0 0 7 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.897 124.9 31.7 -86.1 -36.0 -13.1 -8.8 64.6 415 187 B V H < S- 0 0 1 -4,-2.7 3,-0.2 1,-0.2 -3,-0.2 0.447 106.6-122.8-106.4 -7.8 -12.4 -12.4 65.1 416 188 B G < - 0 0 2 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 0.105 26.5 -83.3 79.7 167.5 -9.8 -12.2 67.9 417 189 B H S > S+ 0 0 111 -4,-0.1 3,-1.1 6,-0.0 2,-0.2 0.411 82.5 122.3 -92.5 5.4 -6.2 -13.6 68.1 418 190 B S T 3 S+ 0 0 33 1,-0.3 5,-0.2 -3,-0.2 -98,-0.0 -0.440 84.4 4.0 -72.9 130.4 -7.1 -17.2 69.1 419 191 B D T >> S+ 0 0 70 -2,-0.2 4,-1.6 1,-0.1 3,-1.0 0.920 80.4 166.8 65.0 37.5 -5.8 -19.9 66.7 420 192 B H H <> + 0 0 82 -3,-1.1 4,-2.5 1,-0.3 5,-0.2 0.689 65.8 68.7 -61.2 -19.5 -4.1 -17.1 64.7 421 193 B R H 3> S+ 0 0 190 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.941 105.1 42.6 -64.8 -40.2 -2.0 -19.7 62.9 422 194 B T H <> S+ 0 0 26 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.924 112.1 51.1 -70.7 -44.7 -5.3 -20.7 61.3 423 195 B T H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.940 113.1 49.5 -55.7 -44.9 -6.5 -17.2 60.7 424 196 B L H X S+ 0 0 66 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.925 109.0 49.3 -60.4 -49.5 -3.2 -16.5 59.1 425 197 B S H X S+ 0 0 40 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.823 112.3 48.2 -66.3 -27.2 -3.2 -19.6 56.8 426 198 B I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.965 111.7 49.4 -74.9 -51.3 -6.7 -18.8 55.6 427 199 B Y H X S+ 0 0 46 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.917 113.7 46.7 -49.1 -50.9 -5.9 -15.2 54.8 428 200 B S H X S+ 0 0 59 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.877 110.7 51.7 -64.0 -36.7 -2.8 -16.2 53.0 429 201 B H H X S+ 0 0 40 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.956 115.5 41.0 -65.3 -43.5 -4.5 -18.9 51.0 430 202 B V H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.932 113.2 51.6 -72.6 -46.1 -7.2 -16.5 49.9 431 203 B T H X S+ 0 0 27 -4,-3.0 4,-2.2 -5,-0.3 -250,-0.3 0.870 108.9 53.2 -61.0 -32.0 -5.0 -13.6 49.2 432 204 B E H X S+ 0 0 93 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.900 108.8 49.7 -66.4 -37.9 -2.8 -15.9 47.1 433 205 B Q H X S+ 0 0 83 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.926 110.1 50.4 -63.8 -43.0 -6.0 -16.9 45.1 434 206 B X H < S+ 0 0 34 -4,-2.8 4,-0.3 2,-0.2 3,-0.2 0.902 107.6 52.7 -65.1 -40.7 -6.9 -13.2 44.6 435 207 B D H >< S+ 0 0 41 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.939 108.8 50.6 -57.3 -46.8 -3.4 -12.4 43.3 436 208 B K H 3< S+ 0 0 139 -4,-2.1 4,-0.3 1,-0.3 3,-0.3 0.799 107.7 54.1 -61.1 -26.0 -3.7 -15.3 40.8 437 209 B D T 3X S+ 0 0 67 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.3 0.439 80.9 103.2 -88.5 2.9 -7.0 -13.8 39.7 438 210 B X H <> S+ 0 0 13 -3,-1.7 4,-3.0 -4,-0.3 5,-0.2 0.929 80.2 43.6 -52.4 -58.8 -5.4 -10.4 39.1 439 211 B X H > S+ 0 0 73 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.884 112.0 56.4 -58.4 -36.4 -5.3 -10.5 35.3 440 212 B N H 4 S+ 0 0 99 -4,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.916 109.9 44.4 -60.8 -44.4 -8.8 -11.9 35.2 441 213 B K H >< S+ 0 0 40 -4,-2.4 3,-2.0 1,-0.2 4,-0.2 0.953 111.8 52.7 -64.3 -48.4 -10.1 -8.9 37.2 442 214 B L H >< S+ 0 0 5 -4,-3.0 3,-2.5 1,-0.3 -2,-0.2 0.822 93.4 72.6 -59.4 -30.9 -8.1 -6.5 35.0 443 215 B E T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -340,-0.2 0.747 91.9 58.8 -57.3 -19.9 -9.6 -8.0 31.9 444 216 B Q T < S+ 0 0 150 -3,-2.0 2,-0.6 -4,-0.4 -1,-0.3 0.553 85.4 96.9 -84.5 -7.3 -12.9 -6.3 32.8 445 217 B V < + 0 0 12 -3,-2.5 2,-0.3 -4,-0.2 -342,-0.2 -0.743 39.8 149.4 -94.6 123.8 -11.3 -2.8 32.8 446 218 B K - 0 0 101 -2,-0.6 -434,-0.1 -343,-0.1 -3,-0.0 -0.972 20.2-175.1-150.0 133.6 -11.8 -0.8 29.6 447 219 B L 0 0 4 -2,-0.3 -431,-0.1 -436,-0.1 -432,-0.1 0.303 360.0 360.0-123.5 6.8 -11.9 3.0 29.7 448 220 B G 0 0 52 -433,-0.1 -1,-0.0 -432,-0.0 -406,-0.0 0.148 360.0 360.0-156.9 360.0 -12.7 3.9 26.1