==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/DNA/INHIBITOR 26-DEC-12 4IKF . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SPUMARETROVIRUS; . AUTHOR O.TALTYNOV,J.DEMEULEMEESTER,B.A.DESIMMIE,V.SUCHAUD,M.BILLAMB . 552 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 1 0.2 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 . 39 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 1 0 4 0 0 4 2 1 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 6 1 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 8 A L 0 0 94 0, 0.0 44,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-158.6 -75.5 13.8 -60.4 2 9 A D > + 0 0 119 1,-0.2 3,-2.0 2,-0.1 4,-0.2 0.833 360.0 122.5 -42.2 -64.3 -78.3 15.8 -62.3 3 10 A A T > S+ 0 0 73 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.002 80.0 17.8 37.2-114.5 -80.9 16.2 -59.5 4 11 A E T 3> S+ 0 0 68 1,-0.3 4,-0.8 -3,-0.2 -1,-0.3 0.736 114.1 70.3 -55.7 -32.1 -81.6 19.9 -58.9 5 12 A L H <> S+ 0 0 13 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.680 85.0 67.4 -74.8 -18.5 -80.2 21.2 -62.1 6 13 A D H <> S+ 0 0 76 -3,-1.4 4,-3.3 -4,-0.2 5,-0.2 0.998 99.7 48.5 -56.3 -64.0 -82.9 19.9 -64.4 7 14 A Q H > S+ 0 0 76 -4,-0.4 4,-1.2 1,-0.3 5,-0.3 0.716 111.9 54.4 -55.0 -25.6 -85.7 22.1 -63.0 8 15 A L H >< S+ 0 0 16 -4,-0.8 3,-1.4 2,-0.2 -1,-0.3 0.988 110.6 40.0 -68.1 -67.0 -83.2 24.9 -63.5 9 16 A L H 3< S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.874 110.1 63.3 -52.6 -37.0 -82.5 24.4 -67.1 10 17 A Q H 3< S- 0 0 135 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.875 115.9-116.4 -52.3 -42.4 -86.3 23.6 -67.5 11 18 A G S << S+ 0 0 29 -3,-1.4 2,-0.6 -4,-1.2 -3,-0.1 -0.072 77.0 116.2 132.7 -38.1 -87.0 27.2 -66.5 12 19 A H S S- 0 0 153 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.587 71.8-107.2 -78.5 115.8 -88.9 27.2 -63.2 13 20 A Y - 0 0 131 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.293 29.3-157.0 -44.2 154.1 -86.7 28.9 -60.5 14 21 A I > - 0 0 37 3,-0.4 3,-1.8 -9,-0.0 2,-0.1 -0.919 38.1 -76.0-130.2 156.9 -84.9 27.2 -57.6 15 22 A K T 3 S+ 0 0 183 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.308 112.8 4.6 -64.7 126.1 -83.6 28.7 -54.2 16 23 A G T 3 S+ 0 0 39 -2,-0.1 -1,-0.3 1,-0.1 61,-0.1 0.640 96.6 110.7 80.0 15.7 -80.5 30.8 -54.5 17 24 A Y S < S- 0 0 17 -3,-1.8 -3,-0.4 59,-0.1 -1,-0.1 -0.770 70.4-136.4-118.4 87.4 -80.3 30.7 -58.2 18 25 A P > - 0 0 46 0, 0.0 3,-0.7 0, 0.0 -3,-0.0 -0.049 11.1-130.3 -50.3 136.0 -81.1 34.3 -59.1 19 26 A K T 3 S+ 0 0 113 1,-0.2 2,-1.7 3,-0.0 4,-0.2 0.887 89.3 69.2 -67.9 -48.6 -83.5 34.5 -62.0 20 27 A Q T 3 S+ 0 0 155 2,-0.1 2,-0.4 3,-0.0 -1,-0.2 0.265 80.1 98.8 -67.7 24.1 -82.2 37.1 -64.6 21 28 A Y S < S- 0 0 48 -2,-1.7 2,-1.4 -3,-0.7 13,-0.1 -0.905 77.6-127.6-112.4 136.8 -79.4 34.8 -65.5 22 29 A T - 0 0 106 11,-0.5 2,-1.4 -2,-0.4 11,-1.0 -0.663 25.3-165.6 -91.8 91.4 -79.7 32.6 -68.6 23 30 A Y + 0 0 23 -2,-1.4 9,-0.2 -4,-0.2 2,-0.1 -0.595 24.0 159.6 -81.5 88.8 -78.9 29.2 -67.3 24 31 A F - 0 0 65 -2,-1.4 2,-0.3 7,-0.1 -15,-0.1 -0.355 37.1-119.2-102.6-179.4 -78.3 27.1 -70.3 25 32 A L + 0 0 99 5,-0.2 2,-0.2 -2,-0.1 5,-0.2 -0.834 38.1 149.9-112.7 159.7 -76.5 23.9 -71.2 26 33 A E B > +A 29 0A 92 3,-1.2 3,-1.1 -2,-0.3 5,-0.3 -0.757 64.5 20.2 172.9 136.2 -73.6 23.5 -73.6 27 34 A D T 3 S- 0 0 134 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.755 129.9 -67.9 61.4 23.8 -70.7 21.2 -74.0 28 35 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.845 114.1 109.5 65.2 35.2 -72.7 18.9 -71.8 29 36 A K B < S-A 26 0A 110 -3,-1.1 2,-1.8 13,-0.0 -3,-1.2 -0.989 77.4-114.4-143.6 149.1 -72.4 21.2 -68.8 30 37 A V + 0 0 25 -2,-0.3 -5,-0.2 11,-0.2 9,-0.1 -0.208 47.9 176.9 -85.3 53.4 -74.9 23.5 -66.9 31 38 A K - 0 0 34 -2,-1.8 2,-0.3 -5,-0.3 9,-0.2 0.162 13.5-162.9 -56.5 170.6 -73.3 26.9 -67.8 32 39 A V E -B 39 0B 1 7,-1.3 7,-2.1 -9,-0.2 2,-0.8 -0.912 20.3-125.8-155.0 127.6 -74.7 30.3 -66.8 33 40 A S E +B 38 0B 52 -11,-1.0 -11,-0.5 -2,-0.3 5,-0.2 -0.693 38.7 171.4 -79.1 115.2 -73.9 33.8 -68.2 34 41 A R E > -B 37 0B 42 3,-2.3 3,-2.5 -2,-0.8 -2,-0.0 -0.711 51.5 -92.7-114.5 169.9 -72.9 36.0 -65.3 35 42 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.707 125.6 52.7 -56.0 -18.6 -71.5 39.5 -65.3 36 43 A E T 3 S- 0 0 109 1,-0.5 2,-0.3 3,-0.0 -3,-0.0 0.444 127.2 -86.2 -96.0 -1.3 -68.0 38.1 -65.3 37 44 A G E < S-B 34 0B 30 -3,-2.5 -3,-2.3 2,-0.1 -1,-0.5 -0.796 71.6 -35.6 121.5-170.3 -68.5 35.8 -68.2 38 45 A V E -B 33 0B 60 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.739 57.7-171.2 -95.3 136.7 -70.0 32.4 -68.3 39 46 A K E -B 32 0B 32 -7,-2.1 -7,-1.3 -2,-0.4 34,-0.2 -0.916 23.1-116.9-125.1 145.3 -69.2 30.1 -65.5 40 47 A I B -c 73 0C 32 32,-2.3 34,-2.9 -2,-0.4 -9,-0.1 -0.493 19.2-145.4 -73.9 153.4 -70.0 26.4 -65.1 41 48 A I - 0 0 2 32,-0.2 -11,-0.2 -2,-0.2 34,-0.1 -0.762 16.1-155.6-125.2 92.9 -72.3 25.3 -62.4 42 49 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.279 26.1 -97.5 -66.5 148.1 -71.3 21.9 -61.0 43 50 A P >> - 0 0 27 0, 0.0 3,-4.0 0, 0.0 4,-0.7 -0.342 34.0-112.4 -60.9 133.5 -73.7 19.5 -59.3 44 51 A Q H 3> S+ 0 0 110 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.701 115.3 70.1 -40.3 -23.3 -73.7 19.7 -55.5 45 52 A S H 34 S+ 0 0 77 -44,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.692 106.3 37.2 -69.7 -17.2 -72.2 16.1 -55.7 46 53 A D H <> S+ 0 0 56 -3,-4.0 4,-1.6 2,-0.1 -1,-0.2 0.510 91.6 86.9-113.2 -10.8 -69.0 17.5 -57.0 47 54 A R H >X S+ 0 0 7 -4,-0.7 4,-2.5 -3,-0.3 3,-0.5 0.941 90.5 47.9 -67.2 -46.8 -68.6 20.7 -55.2 48 55 A Q H 3X S+ 0 0 129 -4,-0.6 4,-2.0 1,-0.2 5,-0.3 0.972 112.0 52.4 -55.1 -48.2 -66.8 19.3 -52.1 49 56 A K H 3> S+ 0 0 124 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.810 113.7 45.0 -53.9 -32.6 -64.5 17.4 -54.6 50 57 A I H < S+ 0 0 11 -4,-2.8 3,-2.0 2,-0.2 4,-0.5 0.993 117.2 43.7 -61.0 -68.8 -58.7 24.1 -55.6 55 62 A H H >X>S+ 0 0 1 -4,-3.1 4,-1.1 1,-0.3 5,-1.0 0.928 107.3 61.7 -39.4 -55.9 -57.6 24.6 -52.0 56 63 A N T 3<5S+ 0 0 71 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.602 83.7 79.1 -62.3 -9.9 -55.2 21.7 -52.2 57 64 A L T <45S- 0 0 127 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.993 127.0 -9.6 -56.3 -62.9 -53.2 23.3 -55.0 58 65 A A T <45S- 0 0 70 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.010 92.3-109.7-124.9 35.0 -51.4 25.6 -52.5 59 66 A H T <5 + 0 0 61 -4,-1.1 -3,-0.2 -5,-0.2 2,-0.1 0.894 59.5 179.1 37.8 45.9 -53.3 25.1 -49.2 60 67 A T < - 0 0 33 -5,-1.0 -1,-0.1 -6,-0.2 32,-0.1 -0.400 24.3-118.2 -75.5 148.8 -54.5 28.6 -49.7 61 68 A G > - 0 0 33 -2,-0.1 4,-1.7 -3,-0.1 5,-0.2 0.119 49.9 -64.6 -74.6-164.0 -56.9 30.3 -47.3 62 69 A R H > S+ 0 0 134 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.915 127.3 31.2 -57.9 -62.2 -60.4 31.6 -48.1 63 70 A E H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.982 117.7 53.8 -62.1 -60.7 -60.0 34.4 -50.7 64 71 A A H 4 S+ 0 0 53 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.848 114.6 46.0 -34.7 -42.8 -56.9 33.0 -52.3 65 72 A T H >X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 3,-0.8 0.880 109.8 48.9 -79.7 -43.3 -58.9 29.8 -52.8 66 73 A L H 3X S+ 0 0 15 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.929 103.4 62.5 -65.0 -41.0 -62.2 31.1 -54.0 67 74 A L H 3X S+ 0 0 104 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.745 102.4 50.9 -56.4 -26.2 -60.4 33.2 -56.6 68 75 A K H X4 S+ 0 0 129 -3,-0.8 3,-0.8 -4,-0.5 4,-0.4 0.938 113.5 44.9 -76.2 -49.0 -59.1 30.1 -58.3 69 76 A I H >X S+ 0 0 6 -4,-1.6 3,-2.6 1,-0.2 4,-1.3 0.966 101.0 67.0 -55.9 -59.2 -62.5 28.5 -58.4 70 77 A A H 3< S+ 0 0 28 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 88.3 70.4 -28.2 -45.1 -64.2 31.7 -59.7 71 78 A N T << S+ 0 0 93 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.827 120.3 7.3 -46.9 -41.8 -62.2 31.4 -62.9 72 79 A L T <4 S+ 0 0 97 -3,-2.6 -32,-2.3 -4,-0.4 -2,-0.2 0.813 121.7 46.3-110.5 -58.6 -64.2 28.3 -64.1 73 80 A Y B < -c 40 0C 61 -4,-1.3 2,-0.3 -34,-0.2 -32,-0.2 -0.479 49.7-173.0 -98.7 164.0 -67.2 27.6 -61.8 74 81 A W + 0 0 37 -34,-2.9 -3,-0.0 -2,-0.2 -36,-0.0 -0.965 16.3 146.3-140.0 150.3 -69.9 29.4 -60.2 75 82 A W > - 0 0 1 -2,-0.3 3,-1.0 -34,-0.1 2,-0.3 -0.967 48.4 -63.3-168.1 178.9 -72.6 28.4 -57.6 76 83 A P T 3 S- 0 0 22 0, 0.0 -59,-0.1 0, 0.0 -2,-0.0 -0.460 108.5 -3.5 -78.1 136.2 -74.6 29.7 -54.7 77 84 A N T >> S+ 0 0 135 -2,-0.3 3,-1.6 -61,-0.1 4,-0.6 0.745 79.8 178.1 69.1 25.8 -73.1 30.8 -51.4 78 85 A M H X> + 0 0 23 -3,-1.0 3,-2.0 1,-0.3 4,-1.3 0.739 68.1 50.2 -26.6 -75.1 -69.6 29.8 -52.6 79 86 A R H 3> S+ 0 0 107 1,-0.3 4,-4.3 2,-0.2 5,-0.3 0.834 98.0 70.3 -45.2 -38.2 -67.3 30.8 -49.8 80 87 A K H <> S+ 0 0 167 -3,-1.6 4,-2.0 1,-0.3 -1,-0.3 0.899 104.7 41.8 -44.3 -46.2 -69.6 28.9 -47.3 81 88 A D H < S+ 0 0 5 -4,-1.5 3,-0.8 -3,-0.4 -1,-0.2 0.844 105.0 52.0 -77.6 -38.6 -60.7 25.0 -44.6 87 94 A G T 3< S+ 0 0 27 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.469 112.7 49.9 -75.3 -6.1 -61.9 24.2 -41.1 88 95 A R T 3 S+ 0 0 162 -4,-0.4 2,-0.9 -5,-0.2 -1,-0.2 0.470 82.5 101.9-104.8 -7.3 -61.5 20.6 -42.2 89 96 A C <> - 0 0 8 -3,-0.8 4,-2.0 -4,-0.2 -3,-0.0 -0.666 56.3-163.2 -84.3 106.2 -57.9 20.9 -43.6 90 97 A Q H > S+ 0 0 84 -2,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.896 84.7 49.3 -63.6 -36.2 -55.9 19.4 -40.9 91 98 A Q H > S+ 0 0 98 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.898 106.7 51.6 -72.9 -48.9 -52.7 21.0 -42.2 92 99 A C H >> S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.926 109.3 55.2 -43.5 -45.7 -53.9 24.5 -42.7 93 100 A L H 3< S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.816 112.3 39.4 -67.8 -30.9 -55.1 24.3 -39.0 94 101 A I H 3< S+ 0 0 25 -4,-1.2 236,-1.6 -3,-0.4 235,-0.3 0.478 124.6 36.0 -97.4 -6.2 -51.7 23.3 -37.5 95 102 A T H << S+ 0 0 64 -4,-1.2 234,-0.2 -3,-0.8 -3,-0.2 0.789 87.3 86.3-111.8 -47.9 -49.5 25.6 -39.7 96 103 A N S < S- 0 0 79 -4,-1.6 2,-0.1 -5,-0.3 233,-0.0 -0.208 75.1-133.1 -46.3 140.6 -51.1 28.9 -40.5 97 104 A A - 0 0 77 1,-0.2 -2,-0.1 2,-0.0 -1,-0.1 -0.429 30.0 -83.5 -95.0 177.2 -50.3 31.3 -37.6 98 105 A S - 0 0 50 -2,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.002 22.2-168.7 -74.2 177.2 -52.9 33.5 -35.9 99 106 A N S S+ 0 0 110 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.125 71.1 86.6-142.1 14.3 -54.3 36.9 -36.8 100 107 A K - 0 0 90 264,-0.1 207,-0.2 208,-0.0 2,-0.1 -0.978 68.6-146.3-122.2 125.5 -56.0 37.3 -33.5 101 108 A A E -d 307 0D 43 205,-2.5 207,-1.3 -2,-0.4 2,-0.1 -0.481 25.8 -96.4 -94.5 161.0 -54.1 38.7 -30.5 102 109 A S E -d 308 0D 32 205,-0.3 202,-0.4 -2,-0.1 207,-0.2 -0.357 43.4 -97.5 -79.8 153.2 -54.5 37.8 -26.9 103 110 A G - 0 0 3 205,-1.2 -1,-0.1 239,-0.3 200,-0.0 -0.280 62.4 -67.5 -64.1 163.2 -56.6 39.8 -24.6 104 111 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 199,-0.1 -0.021 60.8 -99.1 -51.5 152.2 -54.8 42.4 -22.4 105 112 A I - 0 0 74 197,-0.1 2,-0.4 -3,-0.1 238,-0.0 -0.266 30.6-117.0 -81.1 161.8 -52.5 41.2 -19.6 106 113 A L - 0 0 73 194,-0.1 -1,-0.1 -2,-0.0 193,-0.1 -0.807 11.3-155.1 -99.6 135.1 -53.3 40.8 -15.9 107 114 A R - 0 0 119 -2,-0.4 3,-0.1 191,-0.1 193,-0.1 -0.731 22.4-153.4-105.9 87.3 -51.5 42.8 -13.3 108 115 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.024 31.5 -82.5 -59.3 168.6 -51.9 40.6 -10.2 109 116 A D - 0 0 139 1,-0.1 3,-0.1 188,-0.0 188,-0.0 -0.342 44.5-101.9 -80.6 149.8 -51.9 42.3 -6.8 110 117 A R - 0 0 62 185,-0.1 -1,-0.1 -3,-0.1 32,-0.1 -0.539 50.1-103.5 -67.9 129.5 -48.6 43.2 -5.1 111 118 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.125 33.4-123.0 -49.4 154.7 -48.2 40.5 -2.5 112 119 A Q S S+ 0 0 148 -3,-0.1 -2,-0.1 2,-0.0 3,-0.0 0.982 78.1 10.0 -79.8 -56.3 -49.0 41.9 0.9 113 120 A K S > S- 0 0 84 1,-0.1 3,-1.3 414,-0.0 29,-0.5 -0.663 90.7 -83.4-111.3 167.9 -46.0 41.5 3.1 114 121 A P T 3 S+ 0 0 2 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.518 114.6 28.9 -64.1 141.1 -42.5 40.5 2.5 115 122 A F T 3 S+ 0 0 4 2,-0.4 58,-1.9 -2,-0.2 59,-0.3 0.405 86.6 106.3 86.2 0.8 -42.1 36.7 2.4 116 123 A D S < S+ 0 0 26 -3,-1.3 58,-1.4 1,-0.3 2,-0.4 0.947 93.4 10.4 -68.6 -49.9 -45.6 36.1 1.2 117 124 A K E -e 174 0E 55 -4,-0.4 24,-3.2 56,-0.2 2,-0.4 -0.995 64.5-167.5-135.7 135.9 -44.2 35.2 -2.3 118 125 A F E -eF 175 140E 2 56,-1.2 58,-3.0 -2,-0.4 2,-0.3 -0.981 10.5-153.7-116.5 131.6 -40.8 34.6 -3.6 119 126 A F E -eF 176 139E 22 20,-3.2 20,-2.2 -2,-0.4 2,-0.4 -0.799 15.2-176.2-100.5 151.2 -40.0 34.4 -7.3 120 127 A I E +eF 177 138E 1 56,-1.4 58,-0.7 -2,-0.3 2,-0.3 -0.978 11.7 159.5-151.2 130.4 -37.0 32.5 -8.7 121 128 A D E - 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0 0 53 21,-0.1 2,-0.2 -4,-0.1 23,-0.1 -0.785 69.6-124.1 -93.9 104.4 -38.0 33.9 20.1 511 257 B Y - 0 0 151 -2,-0.9 7,-0.2 21,-0.3 6,-0.1 -0.290 23.8-135.6 -57.5 118.5 -40.5 36.2 21.7 512 258 B S > - 0 0 10 5,-1.1 3,-1.2 -2,-0.2 5,-0.4 -0.685 3.3-147.3 -81.5 113.9 -38.6 38.8 23.8 513 259 B P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.842 95.7 59.6 -29.8 -55.1 -40.0 39.5 27.4 514 260 B V T 3 S+ 0 0 96 2,-0.1 2,-0.2 3,-0.1 -2,-0.0 0.681 118.2 18.9 -67.8 -29.6 -38.8 43.2 27.2 515 261 B L S < S- 0 0 61 -3,-1.2 0, 0.0 2,-0.2 0, 0.0 -0.641 86.2-109.9-115.8-173.3 -40.9 44.1 24.1 516 262 B K S S+ 0 0 61 -2,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.250 89.9 90.9 -92.5 16.2 -43.9 42.3 22.7 517 263 B Y - 0 0 91 -5,-0.4 -5,-1.1 -6,-0.1 -2,-0.2 -0.812 64.0-140.1-132.2 146.5 -41.7 41.3 19.8 518 264 B T >> - 0 0 11 -2,-0.3 4,-1.8 -7,-0.2 3,-0.7 -0.573 43.1-106.6 -81.9 158.5 -39.3 38.9 18.1 519 265 B P H >> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.964 120.9 60.4 -34.6 -57.8 -36.3 40.0 16.2 520 266 B H H 3> S+ 0 0 1 -12,-2.7 4,-1.7 1,-0.3 6,-0.4 0.812 107.3 42.5 -52.3 -35.7 -38.2 39.0 13.1 521 267 B Q H <> S+ 0 0 37 -3,-0.7 4,-1.3 -13,-0.3 -1,-0.3 0.779 115.0 48.0 -84.7 -28.1 -41.0 41.4 13.8 522 268 B L H << S+ 0 0 1 -4,-1.8 -2,-0.2 -3,-0.9 -1,-0.2 0.694 115.2 46.5 -79.5 -23.2 -38.8 44.3 14.8 523 269 B L H < S+ 0 0 3 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.938 131.4 16.6 -83.3 -50.7 -36.6 43.8 11.8 524 270 B F H < S- 0 0 2 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.570 92.3-128.7-102.5 -17.9 -39.3 43.4 9.1 525 271 B G S < S+ 0 0 12 -4,-1.3 2,-0.3 1,-0.3 -4,-0.2 0.839 77.1 82.8 69.0 34.2 -42.4 44.8 10.9 526 272 B I S S- 0 0 22 -6,-0.4 2,-0.4 -413,-0.0 -1,-0.3 -0.933 85.1 -85.6-154.1 171.4 -44.5 41.8 10.1 527 273 B D - 0 0 104 -2,-0.3 -414,-0.0 -3,-0.1 -6,-0.0 -0.749 40.8-121.5 -91.5 134.9 -45.2 38.3 11.4 528 274 B S - 0 0 14 -2,-0.4 -1,-0.1 1,-0.1 -358,-0.0 -0.097 11.0-132.6 -64.8 164.6 -43.0 35.3 10.4 529 275 B N S S+ 0 0 50 -358,-0.6 -1,-0.1 1,-0.2 -359,-0.0 0.450 100.7 51.7 -99.4 -1.9 -44.6 32.3 8.6 530 276 B T S S- 0 0 30 -359,-0.1 2,-0.3 -25,-0.1 -1,-0.2 -0.822 77.6-175.4-132.0 92.4 -42.8 29.9 11.0 531 277 B P - 0 0 98 0, 0.0 2,-0.6 0, 0.0 -21,-0.1 -0.682 23.5-147.3 -90.8 138.9 -43.4 31.0 14.6 532 278 B F + 0 0 85 -23,-0.6 -21,-0.3 -2,-0.3 4,-0.2 -0.568 37.3 153.2-105.7 63.8 -41.8 29.2 17.6 533 279 B A + 0 0 99 -2,-0.6 2,-1.0 1,-0.1 -1,-0.2 0.043 44.2 110.3 -71.8 17.9 -44.7 29.7 19.9 534 280 B N - 0 0 116 2,-0.0 2,-2.0 0, 0.0 -1,-0.1 -0.747 62.0-161.5 -86.3 75.4 -43.0 26.6 21.3 535 281 B Q - 0 0 111 -2,-1.0 2,-0.2 -25,-0.0 -2,-0.1 -0.478 30.9-171.3 -57.9 86.7 -41.8 28.4 24.5 536 282 B D - 0 0 97 -2,-2.0 -2,-0.0 -4,-0.2 -4,-0.0 -0.522 33.9-116.6-102.9 157.2 -39.4 25.4 24.8 537 283 B T + 0 0 76 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.894 30.6 177.9 -61.2 -53.3 -36.9 24.4 27.6 538 284 B L + 0 0 32 1,-0.2 -1,-0.2 -54,-0.1 2,-0.2 0.199 43.3 121.4 70.8 -20.8 -33.6 24.7 25.8 539 285 B D S S- 0 0 78 1,-0.1 2,-4.5 -52,-0.0 -1,-0.2 -0.490 89.7 -89.9 -81.3 148.2 -32.0 23.7 29.1 540 286 B L - 0 0 83 -2,-0.2 5,-0.2 1,-0.1 -1,-0.1 -0.086 57.5-145.1 -55.5 60.1 -29.9 20.6 29.3 541 287 B T > - 0 0 55 -2,-4.5 2,-3.6 1,-0.2 3,-1.4 -0.012 30.0 -89.7 -51.5 102.4 -33.0 18.5 30.1 542 288 B R T 3 S+ 0 0 205 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.070 121.6 50.7 36.8 -49.2 -32.3 15.6 32.5 543 289 B E T >> S+ 0 0 164 -2,-3.6 4,-1.1 1,-0.2 3,-0.9 0.772 96.9 64.2 -87.7 -30.0 -31.4 12.9 29.9 544 290 B E T <4 S+ 0 0 56 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.570 97.2 58.3 -76.0 -9.0 -28.9 14.9 27.8 545 291 B E T 3> S+ 0 0 90 -5,-0.2 4,-1.8 3,-0.2 3,-0.4 0.625 98.1 65.8 -85.8 -19.9 -26.6 15.0 30.8 546 292 B L T <4 S+ 0 0 63 -3,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.995 115.2 23.3 -58.8 -69.0 -26.8 11.2 30.7 547 293 B S T < S+ 0 0 69 -4,-1.1 -1,-0.2 1,-0.1 -56,-0.2 -0.036 122.5 64.4 -90.0 29.3 -25.0 10.8 27.3 548 294 B L T >> S+ 0 0 30 -3,-0.4 4,-0.8 -5,-0.1 3,-0.7 0.719 103.9 37.3-110.3 -57.5 -23.3 14.2 27.9 549 295 B L T 3< S+ 0 0 117 -4,-1.8 -2,-0.1 1,-0.2 -3,-0.1 0.172 117.2 55.7 -85.5 16.7 -21.1 13.7 31.0 550 296 B Q T 34 S+ 0 0 77 2,-0.1 -1,-0.2 -4,-0.0 -3,-0.1 0.449 102.6 55.1-110.8 -16.1 -20.3 10.2 29.7 551 297 B E T <4 S+ 0 0 115 -3,-0.7 -2,-0.2 2,-0.1 -3,-0.1 0.635 132.3 10.9 -86.6 -19.3 -19.1 11.6 26.3 552 298 B I < 0 0 161 -4,-0.8 -3,-0.2 0, 0.0 -2,-0.1 0.598 360.0 360.0-125.2 -36.1 -16.5 13.8 28.1 553 299 B R 0 0 90 -5,-0.3 -2,-0.1 0, 0.0 -4,-0.1 -0.270 360.0 360.0 -96.3 360.0 -16.5 12.6 31.8