==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION/INHIBITOR 05-MAR-11 3AVH . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR T.S.PEAT,J.J.DEADMAN,J.NEWMAN,D.I.RHODES . 314 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 2 0 0 0 1 1 0 0 2 4 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 57 A S > 0 0 91 0, 0.0 3,-1.0 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -21.2 15.4 33.6 0.1 2 58 A P T 3 + 0 0 31 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.840 360.0 45.0 -66.3 -20.9 15.1 30.5 2.2 3 59 A G T 3 S+ 0 0 9 51,-0.1 53,-2.3 19,-0.0 52,-1.6 0.261 89.4 110.7 -99.3 12.5 12.0 32.0 3.9 4 60 A I E < +a 56 0A 44 -3,-1.0 19,-1.5 51,-0.2 20,-0.5 -0.790 38.8 172.2-101.5 125.4 10.2 33.4 0.8 5 61 A W E -aB 57 22A 1 51,-2.5 53,-2.6 -2,-0.5 2,-0.4 -0.878 19.3-147.6-127.9 158.0 7.0 31.8 -0.5 6 62 A Q E -aB 58 21A 29 15,-2.7 15,-3.3 -2,-0.3 2,-0.2 -0.993 12.9-141.0-125.4 128.2 4.4 32.7 -3.3 7 63 A L E - B 0 20A 1 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.608 21.3-178.6 -86.5 154.8 0.7 32.1 -3.1 8 64 A D E - B 0 19A 9 11,-2.7 11,-3.2 -2,-0.2 2,-0.5 -0.997 11.8-160.1-154.4 139.0 -1.1 31.0 -6.2 9 65 A C E + B 0 18A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 15.6 170.8-130.1 129.8 -4.8 30.2 -6.7 10 66 A T E - B 0 17A 12 7,-2.5 7,-3.0 -2,-0.5 2,-0.3 -0.916 22.7-128.2-134.2 160.6 -6.1 28.1 -9.7 11 67 A H E + B 0 16A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.882 28.1 158.9-117.1 148.0 -9.5 26.6 -10.5 12 68 A L E > + B 0 15A 45 3,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.934 67.9 0.6-159.7 140.3 -10.7 23.1 -11.4 13 69 A E T 3 S- 0 0 90 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.813 127.2 -56.5 51.5 35.0 -14.1 21.3 -11.2 14 70 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.631 120.3 99.4 78.0 7.4 -15.9 24.4 -9.9 15 71 A K E < S-B 12 0A 83 -3,-2.1 -3,-2.1 20,-0.0 2,-0.4 -0.778 70.9-117.1-124.2 175.4 -13.5 24.6 -6.9 16 72 A V E -BC 11 33A 7 17,-2.2 17,-2.6 -2,-0.2 2,-0.6 -0.896 13.0-157.7-116.1 130.6 -10.4 26.5 -6.0 17 73 A I E -BC 10 32A 3 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.5 -0.972 12.8-158.9-105.6 116.1 -6.9 25.0 -5.4 18 74 A L E -BC 9 31A 0 13,-2.7 13,-2.4 -2,-0.6 2,-0.4 -0.858 13.5-171.8 -99.0 134.3 -4.8 27.3 -3.2 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.7 -2,-0.5 2,-0.5 -0.951 18.1-158.2-130.0 137.6 -1.0 26.7 -3.6 20 76 A A E -BC 7 29A 1 9,-2.5 9,-1.8 -2,-0.4 2,-0.5 -0.995 16.3-160.8-112.3 125.6 2.0 28.0 -1.7 21 77 A V E -BC 6 28A 18 -15,-3.3 -15,-2.7 -2,-0.5 2,-0.9 -0.905 18.4-138.5-107.8 125.4 5.3 27.8 -3.6 22 78 A H E >>> -BC 5 27A 0 5,-2.8 4,-2.9 -2,-0.5 3,-0.8 -0.779 25.0-149.9 -75.6 106.0 8.7 28.0 -1.9 23 79 A V T 345S+ 0 0 84 -19,-1.5 -1,-0.2 -2,-0.9 -18,-0.1 0.867 85.9 48.4 -60.7 -39.4 10.2 30.2 -4.6 24 80 A A T 345S+ 0 0 46 -20,-0.5 -1,-0.3 -23,-0.5 -19,-0.1 0.778 126.0 25.8 -74.0 -29.5 13.9 29.0 -4.3 25 81 A S T <45S- 0 0 4 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.652 92.8-127.6-102.3 -23.6 13.1 25.2 -4.5 26 82 A G T <5 + 0 0 23 -4,-2.9 2,-0.2 1,-0.3 111,-0.1 0.536 57.1 149.0 79.8 5.3 9.8 24.9 -6.3 27 83 A Y E < -C 22 0A 1 -5,-0.5 -5,-2.8 110,-0.3 2,-0.3 -0.508 28.5-160.8 -70.5 145.2 8.4 22.8 -3.4 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.885 25.9-166.0-128.4 155.6 4.6 23.3 -2.9 29 85 A E E +C 20 0A 9 -9,-1.8 -9,-2.5 -2,-0.3 2,-0.3 -0.947 25.7 177.6-122.5 154.4 1.8 22.8 -0.4 30 86 A A E -C 19 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.993 14.6-170.4-154.9 154.1 -1.8 23.0 -1.6 31 87 A E E -C 18 0A 20 -13,-2.4 -13,-2.7 -2,-0.3 2,-0.5 -0.989 23.3-125.6-142.3 155.6 -5.4 22.6 -0.5 32 88 A V E +C 17 0A 32 -2,-0.3 -15,-0.2 -15,-0.2 85,-0.1 -0.894 33.8 171.6 -97.5 129.2 -8.8 22.5 -2.1 33 89 A I E -C 16 0A 6 -17,-2.6 -17,-2.2 -2,-0.5 3,-0.1 -0.901 41.3-121.1-131.9 156.4 -11.4 25.1 -0.8 34 90 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.900 95.0 -6.5 -69.6 -30.9 -15.0 25.9 -2.2 35 91 A A S S- 0 0 50 -20,-0.1 2,-0.6 -19,-0.1 5,-0.1 -0.987 78.5-102.8-156.3 153.6 -14.0 29.6 -2.8 36 92 A E + 0 0 51 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.724 51.0 163.0 -85.5 118.4 -11.0 31.8 -2.0 37 93 A T > - 0 0 59 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.889 52.0-112.8-125.4 159.4 -11.8 33.9 1.0 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.882 119.0 54.3 -58.6 -41.7 -9.5 35.9 3.3 39 95 A Q H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 111.0 44.1 -58.1 -44.5 -10.5 33.5 6.2 40 96 A E H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 115.6 48.5 -67.3 -41.6 -9.5 30.4 4.1 41 97 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.902 110.9 50.1 -62.7 -44.3 -6.3 32.1 3.0 42 98 A A H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.884 111.4 48.3 -60.5 -41.7 -5.4 33.2 6.5 43 99 A Y H X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.899 109.8 52.2 -68.1 -44.0 -5.9 29.6 7.9 44 100 A F H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 110.9 47.4 -55.6 -46.0 -3.8 28.1 5.1 45 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.872 108.8 54.1 -67.0 -35.3 -0.9 30.5 5.9 46 102 A L H X S+ 0 0 9 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.938 111.3 46.9 -64.3 -43.0 -1.2 29.8 9.6 47 103 A K H X S+ 0 0 42 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.961 113.2 48.2 -59.4 -48.5 -0.8 26.0 8.7 48 104 A L H >X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 3,-0.8 0.887 110.1 50.7 -59.2 -48.7 2.1 26.7 6.4 49 105 A A H 3< S+ 0 0 1 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.744 105.4 55.6 -68.1 -23.6 4.0 28.8 8.9 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.689 115.8 41.1 -75.2 -15.6 3.7 26.2 11.7 51 107 A R H << S+ 0 0 20 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.1 0.778 124.1 21.1-103.3 -34.4 5.4 23.7 9.3 52 108 A W S < S- 0 0 4 -4,-2.1 2,-1.7 -49,-0.0 -1,-0.2 -0.932 89.2 -98.0-131.2 159.4 8.2 25.7 7.5 53 109 A P - 0 0 64 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.563 46.3-171.3 -84.7 89.5 10.0 28.9 8.6 54 110 A V + 0 0 11 -2,-1.7 -50,-0.1 -5,-0.3 3,-0.1 -0.656 18.2 165.2 -87.2 111.1 8.0 31.3 6.5 55 111 A K + 0 0 126 -52,-1.6 25,-2.7 -2,-0.8 2,-0.4 0.857 67.7 15.2 -89.7 -42.3 9.6 34.8 6.6 56 112 A T E -ad 4 80A 5 -53,-2.3 -51,-2.5 23,-0.2 2,-0.5 -0.999 59.4-162.7-136.6 133.2 7.8 36.5 3.6 57 113 A V E -ad 5 81A 0 23,-2.4 25,-3.1 -2,-0.4 2,-0.7 -0.989 10.8-151.4-118.3 125.8 4.6 35.6 1.6 58 114 A H E -ad 6 82A 44 -53,-2.6 -51,-2.9 -2,-0.5 25,-0.2 -0.856 30.3-131.2 -83.9 115.2 3.9 37.2 -1.8 59 115 A T - 0 0 2 23,-2.3 3,-0.1 -2,-0.7 6,-0.0 -0.344 4.4-128.2 -71.8 158.0 0.1 37.2 -1.9 60 116 A D S S- 0 0 37 1,-0.1 2,-0.3 -52,-0.1 -51,-0.1 0.691 81.9 -1.3 -84.0 -20.8 -1.6 35.9 -5.1 61 117 A N S > S- 0 0 57 -53,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.963 76.5 -95.6-157.4 177.3 -3.9 38.9 -5.6 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.757 115.4 61.1 -72.1 -29.2 -4.9 42.3 -4.2 63 119 A S H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 109.4 41.5 -66.4 -46.8 -7.9 41.0 -2.3 64 120 A N H 4 S+ 0 0 6 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 114.4 53.4 -71.7 -28.3 -5.7 38.7 -0.1 65 121 A F H < S+ 0 0 74 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 116.4 38.8 -64.6 -44.5 -3.1 41.5 0.2 66 122 A T H < S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.848 87.9 113.4 -68.2 -38.3 -5.8 43.9 1.4 67 123 A S X - 0 0 22 -4,-2.4 4,-2.4 1,-0.1 5,-0.1 -0.044 56.9-152.3 -47.7 126.1 -7.7 41.4 3.6 68 124 A T H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.874 96.9 55.8 -73.2 -27.4 -7.5 42.3 7.3 69 125 A T H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 107.5 47.4 -66.9 -45.6 -7.9 38.6 8.2 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.935 113.2 48.8 -59.6 -45.7 -4.9 37.6 6.1 71 127 A K H X S+ 0 0 80 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.912 108.8 53.6 -60.5 -40.0 -2.9 40.4 7.6 72 128 A A H X S+ 0 0 17 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.893 110.1 47.4 -59.7 -44.3 -4.0 39.3 11.1 73 129 A A H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.907 111.6 50.4 -64.7 -36.5 -2.7 35.7 10.3 74 130 A C H <>S+ 0 0 4 -4,-2.5 5,-3.0 1,-0.2 4,-0.4 0.933 112.4 47.6 -67.7 -39.0 0.6 37.1 9.0 75 131 A W H ><5S+ 0 0 184 -4,-2.9 3,-1.3 3,-0.2 -2,-0.2 0.945 113.1 48.3 -59.8 -52.3 0.9 39.2 12.2 76 132 A W H 3<5S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.934 116.8 41.3 -57.0 -51.0 0.2 36.1 14.4 77 133 A A T 3<5S- 0 0 6 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.343 112.8-113.0 -80.0 0.8 2.6 33.8 12.6 78 134 A G T < 5 + 0 0 62 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.853 65.2 149.5 70.6 35.0 5.4 36.4 12.2 79 135 A I < - 0 0 12 -5,-3.0 2,-0.7 -6,-0.2 -23,-0.2 -0.848 47.8-134.2-103.9 135.5 5.1 36.6 8.4 80 136 A K E -d 56 0A 100 -25,-2.7 -23,-2.4 -2,-0.4 2,-0.4 -0.788 25.2-145.5 -81.5 119.3 5.9 39.8 6.3 81 137 A Q E +d 57 0A 32 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.727 25.6 175.5 -90.8 127.6 3.0 40.0 3.9 82 138 A E E -d 58 0A 66 -25,-3.1 -23,-2.3 -2,-0.4 -26,-0.0 -0.811 32.5-102.8-127.5 168.1 4.0 41.4 0.5 83 139 A D - 0 0 54 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.162 25.6-131.6 -79.4-179.2 2.3 42.0 -2.9 84 140 A G + 0 0 32 -26,-0.2 -26,-0.1 -78,-0.1 -1,-0.1 -0.068 44.2 154.9-129.5 30.9 3.0 39.6 -5.8 85 141 A I - 0 0 95 1,-0.1 2,-2.3 -24,-0.0 3,-0.3 -0.444 47.5-129.5 -57.7 125.4 3.7 42.0 -8.6 86 142 A P + 0 0 56 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.442 42.1 162.5 -82.9 70.5 6.0 40.1 -11.1 87 143 A Y S S+ 0 0 183 -2,-2.3 3,-0.0 1,-0.2 -2,-0.0 0.826 78.7 55.7 -55.3 -31.0 8.7 42.8 -11.3 88 144 A N S >> S- 0 0 81 -3,-0.3 3,-2.1 1,-0.1 4,-0.6 -0.927 85.9-156.3 -95.7 108.7 10.6 39.9 -12.7 89 145 A P H 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.737 86.4 76.4 -66.4 -16.3 8.3 38.9 -15.6 90 146 A Q H 3> S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 86.1 63.4 -55.9 -33.4 9.8 35.4 -15.4 91 147 A S H <> S+ 0 0 48 -3,-2.1 4,-2.3 1,-0.2 5,-0.3 0.900 96.6 56.4 -59.1 -43.7 7.6 34.8 -12.2 92 148 A Q H X S+ 0 0 122 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.2 0.956 110.7 41.9 -56.4 -45.7 4.5 35.1 -14.2 93 149 A G H X S+ 0 0 39 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.842 110.6 57.1 -75.2 -31.0 5.5 32.3 -16.7 94 150 A V H X S+ 0 0 97 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.935 109.2 45.9 -65.3 -45.0 6.8 30.0 -13.9 95 151 A I H X S+ 0 0 40 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.924 112.1 49.9 -60.6 -48.1 3.4 30.1 -12.1 96 152 A E H X S+ 0 0 114 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.922 113.0 47.5 -57.9 -43.1 1.4 29.5 -15.2 97 153 A S H X S+ 0 0 75 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.887 111.7 51.1 -70.1 -38.6 3.6 26.5 -16.1 98 154 A M H X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.911 109.8 48.4 -64.2 -41.3 3.3 25.2 -12.6 99 155 A N H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.892 111.7 50.1 -65.4 -40.3 -0.4 25.4 -12.7 100 156 A K H X S+ 0 0 150 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.932 111.9 48.4 -61.8 -43.9 -0.5 23.7 -16.1 101 157 A E H X S+ 0 0 47 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.939 111.4 49.8 -59.4 -49.0 1.8 20.9 -14.8 102 158 A L H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.929 111.4 48.4 -58.7 -43.4 -0.3 20.4 -11.6 103 159 A K H X S+ 0 0 77 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.6 53.1 -64.5 -35.6 -3.6 20.2 -13.6 104 160 A K H X S+ 0 0 138 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.963 111.8 45.6 -63.1 -44.2 -1.9 17.7 -15.9 105 161 A I H X S+ 0 0 8 -4,-2.6 4,-1.4 1,-0.2 5,-0.2 0.911 108.3 55.9 -63.6 -45.4 -0.9 15.5 -12.9 106 162 A I H X S+ 0 0 4 -4,-3.1 4,-1.5 1,-0.2 3,-0.5 0.911 108.1 49.0 -54.2 -41.3 -4.4 15.8 -11.4 107 163 A G H < S+ 0 0 52 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.858 107.0 55.0 -66.7 -35.0 -5.9 14.4 -14.7 108 164 A Q H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.738 122.4 28.6 -68.7 -24.5 -3.4 11.5 -14.7 109 165 A V H >X S+ 0 0 5 -4,-1.4 3,-3.1 -3,-0.5 4,-0.6 0.562 91.3 102.8-105.3 -9.0 -4.6 10.6 -11.1 110 166 A R G >< S+ 0 0 55 -4,-1.5 3,-1.4 1,-0.3 -3,-0.1 0.842 80.1 50.0 -54.4 -36.6 -8.1 11.9 -11.2 111 167 A D G 34 S+ 0 0 113 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.572 98.5 65.7 -82.0 -4.9 -9.7 8.5 -11.7 112 168 A Q G <4 S+ 0 0 68 -3,-3.1 203,-2.8 202,-0.1 204,-0.4 0.563 102.9 59.8 -81.8 -11.7 -7.8 6.8 -8.7 113 169 A A << - 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0 0 21 -4,-2.6 4,-2.4 1,-0.1 5,-0.1 -0.044 55.9-154.4 -48.2 119.9 -7.8 -0.4 8.1 219 124 B T H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 -1,-0.1 0.856 96.9 56.6 -68.0 -31.7 -7.4 -1.5 4.4 220 125 B T H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 107.1 46.4 -62.4 -45.3 -7.9 2.3 3.5 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 113.6 49.4 -61.7 -43.9 -5.0 3.3 5.7 222 127 B K H X S+ 0 0 81 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.899 108.2 54.1 -62.1 -40.1 -2.9 0.4 4.1 223 128 B A H X S+ 0 0 18 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.906 109.9 47.2 -58.3 -43.4 -4.0 1.6 0.6 224 129 B A H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 6,-0.2 0.896 111.0 50.5 -66.2 -36.4 -2.7 5.2 1.4 225 130 B C H X>S+ 0 0 4 -4,-2.3 5,-3.0 1,-0.2 4,-0.5 0.931 112.4 48.2 -71.1 -36.3 0.6 3.8 2.8 226 131 B W H ><5S+ 0 0 185 -4,-2.7 3,-1.2 3,-0.2 -2,-0.2 0.955 112.4 48.5 -62.3 -47.6 0.9 1.7 -0.5 227 132 B W H 3<5S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.937 116.9 41.0 -60.0 -47.0 0.2 4.8 -2.7 228 133 B A H 3<5S- 0 0 6 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.390 113.1-112.6 -88.4 6.8 2.6 7.1 -0.9 229 134 B G T <<5 + 0 0 61 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.866 64.3 151.8 69.0 32.1 5.4 4.4 -0.5 230 135 B I < - 0 0 12 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.852 46.4-134.8 -99.7 133.4 5.1 4.3 3.3 231 136 B K E -h 207 0B 131 -25,-3.1 -23,-2.2 -2,-0.5 2,-0.4 -0.748 25.5-146.8 -78.3 116.4 6.0 1.1 5.4 232 137 B Q E +h 208 0B 33 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.719 25.4 172.4 -91.2 130.1 3.0 0.8 7.8 233 138 B E E -h 209 0B 53 -25,-2.9 -23,-2.3 -2,-0.4 2,-0.0 -0.821 34.0-100.0-129.6 169.1 4.0 -0.6 11.2 234 139 B D - 0 0 54 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.197 25.1-131.4 -76.7-177.6 2.3 -1.1 14.7 235 140 B G + 0 0 32 -26,-0.2 -26,-0.1 -78,-0.0 -1,-0.1 -0.138 44.7 155.2-131.1 29.8 3.0 1.3 17.6 236 141 B I - 0 0 95 1,-0.1 2,-2.3 -24,-0.0 3,-0.3 -0.487 48.4-128.3 -59.2 125.1 3.8 -1.2 20.3 237 142 B P + 0 0 50 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.425 42.8 162.9 -79.9 72.3 5.9 0.7 22.8 238 143 B Y S S+ 0 0 184 -2,-2.3 3,-0.1 1,-0.2 -2,-0.0 0.858 79.0 55.3 -57.5 -31.4 8.8 -1.9 23.0 239 144 B N S > S- 0 0 89 -3,-0.3 3,-2.4 1,-0.1 4,-0.5 -0.910 84.9-156.2 -96.3 108.4 10.6 1.1 24.4 240 145 B P T 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.733 86.9 78.5 -60.9 -20.3 8.3 1.9 27.4 241 146 B Q H 3> S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 84.2 63.7 -49.5 -36.5 9.8 5.5 27.1 242 147 B S H <> S+ 0 0 47 -3,-2.4 4,-2.5 1,-0.2 5,-0.3 0.909 95.5 55.7 -56.6 -50.2 7.5 6.1 24.0 243 148 B Q H > S+ 0 0 124 -4,-0.5 4,-2.1 -3,-0.4 -1,-0.2 0.949 111.6 44.2 -47.2 -53.2 4.3 5.8 26.1 244 149 B G H X S+ 0 0 29 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.864 111.0 53.2 -65.1 -38.8 5.6 8.6 28.4 245 150 B V H X S+ 0 0 102 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.947 111.3 46.0 -63.1 -47.4 6.8 10.9 25.6 246 151 B I H X S+ 0 0 44 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.931 112.8 48.7 -59.5 -49.1 3.4 10.8 23.8 247 152 B E H X S+ 0 0 110 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.904 113.8 47.7 -59.5 -42.6 1.3 11.4 27.0 248 153 B S H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 111.1 50.4 -69.8 -42.0 3.6 14.3 27.8 249 154 B M H X S+ 0 0 19 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.907 110.4 49.5 -59.1 -43.5 3.4 15.7 24.3 250 155 B N H X S+ 0 0 21 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.895 111.2 49.2 -61.3 -41.0 -0.4 15.5 24.5 251 156 B K H X S+ 0 0 156 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.930 112.0 49.3 -63.7 -45.8 -0.5 17.2 27.9 252 157 B E H X S+ 0 0 45 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.933 111.9 48.0 -57.0 -50.7 1.8 20.0 26.5 253 158 B L H X S+ 0 0 7 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.936 111.6 49.6 -61.3 -42.6 -0.4 20.5 23.3 254 159 B K H X S+ 0 0 76 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 109.3 52.6 -62.9 -35.6 -3.6 20.7 25.4 255 160 B K H X S+ 0 0 138 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.939 112.1 45.6 -63.8 -45.1 -1.9 23.2 27.6 256 161 B I H X S+ 0 0 10 -4,-2.5 4,-1.5 1,-0.2 5,-0.2 0.920 109.2 54.5 -64.0 -46.1 -1.0 25.4 24.6 257 162 B I H >X S+ 0 0 7 -4,-3.1 4,-1.6 1,-0.2 3,-0.5 0.921 108.6 49.7 -54.2 -42.1 -4.3 25.1 23.1 258 163 B G H 3< S+ 0 0 53 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.888 107.3 53.7 -64.4 -34.4 -5.8 26.4 26.4 259 164 B Q H 3< S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.714 122.8 29.2 -72.6 -23.0 -3.4 29.3 26.4 260 165 B V H XX S+ 0 0 5 -4,-1.5 3,-2.7 -3,-0.5 4,-0.5 0.530 90.6 102.3-104.9 -10.1 -4.6 30.3 22.9 261 166 B R G >< S+ 0 0 57 -4,-1.6 3,-1.3 1,-0.3 -2,-0.1 0.834 79.7 51.7 -57.1 -34.8 -8.1 29.0 22.9 262 167 B D G 34 S+ 0 0 114 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.602 98.0 65.3 -82.9 -5.2 -9.7 32.4 23.4 263 168 B Q G <4 S+ 0 0 69 -3,-2.7 43,-2.9 42,-0.1 44,-0.4 0.587 103.5 57.4 -78.8 -11.3 -7.8 34.1 20.4 264 169 B A << - 0 0 1 -3,-1.3 -1,-0.1 -4,-0.5 6,-0.0 -0.980 63.5-155.4-127.6 140.1 -9.7 31.7 18.0 265 170 B E S S+ 0 0 83 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.935 85.5 50.9 -70.1 -48.2 -13.4 31.0 17.4 266 171 B H S >> S- 0 0 85 1,-0.1 4,-1.5 4,-0.0 3,-0.6 -0.697 77.7-132.3-100.2 145.2 -12.7 27.5 16.0 267 172 B L H 3> S+ 0 0 6 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.852 104.7 65.1 -59.7 -34.7 -10.7 24.7 17.6 268 173 B K H 3> S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 101.6 49.5 -59.1 -38.1 -8.9 24.1 14.3 269 174 B T H <> S+ 0 0 7 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.947 111.0 48.8 -60.8 -47.6 -7.3 27.5 14.5 270 175 B A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.881 110.2 52.3 -61.0 -38.0 -6.2 26.9 18.1 271 176 B V H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.944 110.5 46.9 -67.9 -38.3 -4.7 23.5 17.1 272 177 B Q H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.853 109.9 53.2 -68.7 -34.2 -2.7 25.1 14.3 273 178 B M H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.899 110.6 49.1 -63.6 -38.5 -1.5 27.9 16.6 274 179 B A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.903 108.2 51.8 -69.7 -37.3 -0.3 25.1 19.0 275 180 B V H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -96,-0.2 0.934 111.3 49.9 -56.4 -44.3 1.5 23.2 16.2 276 181 B F H X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.947 113.0 44.3 -62.7 -47.8 3.2 26.5 15.4 277 182 B I H X S+ 0 0 52 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.935 114.5 49.1 -66.9 -42.4 4.3 27.2 19.0 278 183 B H H < S+ 0 0 11 -4,-2.9 10,-0.5 1,-0.2 3,-0.3 0.930 113.6 45.4 -62.7 -45.1 5.4 23.6 19.6 279 184 B N H < S+ 0 0 2 -4,-2.6 10,-2.3 1,-0.2 11,-0.4 0.756 117.5 44.2 -71.2 -27.7 7.6 23.4 16.3 280 185 B H H < S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.593 84.8 115.6 -90.9 -12.2 9.1 26.9 17.0 281 186 B K < - 0 0 117 -4,-1.3 7,-0.5 -3,-0.3 2,-0.4 -0.346 60.4-140.3 -64.8 128.1 9.9 26.4 20.7 282 187 B R 0 0 153 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.684 360.0 360.0 -85.6 129.7 13.6 26.4 21.5 283 188 B K 0 0 140 3,-1.6 3,-0.4 -2,-0.4 -1,-0.0 -0.883 360.0 360.0-105.2 360.0 14.3 23.8 24.2 284 ! 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 0.0 285 193 B G 0 0 79 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 114.2 19.0 25.8 21.9 286 194 B Y - 0 0 130 -3,-0.4 -3,-1.6 -4,-0.1 2,-0.2 -0.676 360.0-127.6-104.1 152.6 17.4 24.4 18.7 287 195 B S > - 0 0 11 -2,-0.2 4,-2.6 -5,-0.2 5,-0.2 -0.517 26.8-112.8 -89.1 166.8 13.6 24.1 17.8 288 196 B A H > S+ 0 0 2 -10,-0.5 4,-2.7 -7,-0.5 -110,-0.3 0.893 121.3 56.5 -61.3 -38.8 11.9 20.8 16.6 289 197 B G H > S+ 0 0 21 -10,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.898 110.0 44.3 -61.6 -37.9 11.5 22.6 13.2 290 198 B E H > S+ 0 0 32 -11,-0.4 4,-2.5 1,-0.2 5,-0.2 0.927 112.5 52.2 -71.6 -37.0 15.3 23.1 13.1 291 199 B R H X S+ 0 0 77 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.908 107.5 49.6 -68.6 -42.2 16.0 19.6 14.2 292 200 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.952 113.0 47.1 -67.7 -42.8 13.9 17.9 11.6 293 201 B V H X S+ 0 0 4 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.945 114.0 48.2 -58.7 -44.7 15.4 19.9 8.7 294 202 B D H X S+ 0 0 65 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 112.4 49.2 -60.6 -45.3 19.0 19.3 10.0 295 203 B I H X S+ 0 0 41 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.954 115.3 41.5 -62.8 -47.3 18.3 15.6 10.4 296 204 B I H X S+ 0 0 5 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.915 113.6 52.5 -69.9 -37.8 16.9 15.1 6.9 297 205 B A H X S+ 0 0 4 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.895 108.3 52.3 -64.7 -36.8 19.5 17.3 5.2 298 206 B T H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.902 110.6 48.3 -61.7 -41.4 22.3 15.3 6.9 299 207 B D H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.3 51.6 -68.3 -40.6 20.7 12.2 5.5 300 208 B I H < 0 0 45 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.875 360.0 360.0 -61.5 -36.9 20.3 13.7 1.9 301 209 B Q < 0 0 130 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.373 360.0 360.0 -76.9 360.0 24.1 14.6 1.9 302 !* 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 0.0 303 1 E A 0 0 51 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 9.9 -16.3 38.1 16.6 304 2 E R + 0 0 238 5,-1.2 2,-0.3 1,-0.2 5,-0.2 0.906 360.0 119.4 50.4 47.8 -13.1 39.7 17.9 305 3 E K B > S-I 308 0C 65 3,-2.9 3,-1.7 1,-0.1 -1,-0.2 -0.961 77.4-114.6-130.3 158.3 -11.1 36.5 17.1 306 4 E I T 3 S+ 0 0 28 -43,-2.9 3,-0.3 -2,-0.3 -42,-0.2 0.831 121.4 39.7 -61.4 -34.0 -8.1 36.0 14.8 307 5 E D T 3 S+ 0 0 17 -44,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.349 129.4 32.7 -96.2 1.3 -10.2 33.7 12.6 308 6 E N B < -I 305 0C 38 -3,-1.7 -3,-2.9 1,-0.1 -1,-0.3 -0.617 64.6-179.5-156.9 86.9 -13.3 35.9 13.0 309 7 E L 0 0 69 -3,-0.3 -5,-1.2 1,-0.2 -3,-0.1 0.857 360.0 360.0 -63.8 -33.5 -12.3 39.5 13.3 310 8 E D 0 0 153 -7,-0.3 -1,-0.2 -6,-0.1 -2,-0.0 0.905 360.0 360.0 -56.5 360.0 -16.0 40.5 13.6 311 !* 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 0.0 312 1 F A 0 0 51 0, 0.0 7,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 16.7 -16.2 2.7 -4.9 313 2 F R + 0 0 228 5,-1.6 2,-0.3 1,-0.2 5,-0.2 0.829 360.0 122.5 52.3 39.2 -12.9 1.2 -6.3 314 3 F K B > S-J 317 0D 62 3,-2.9 3,-1.6 1,-0.1 -201,-0.2 -0.935 75.8-118.6-124.7 153.1 -11.1 4.4 -5.4 315 4 F I T 3 S+ 0 0 28 -203,-2.8 3,-0.3 -2,-0.3 -202,-0.2 0.835 119.9 40.6 -58.5 -29.8 -8.0 4.9 -3.1 316 5 F D T 3 S+ 0 0 11 -204,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.371 127.8 32.8-101.5 -0.8 -10.2 7.2 -0.9 317 6 F N B < -J 314 0D 44 -3,-1.6 -3,-2.9 1,-0.1 -1,-0.3 -0.632 65.6-177.6-154.3 88.7 -13.3 5.0 -1.2 318 7 F L 0 0 63 -3,-0.3 -5,-1.6 1,-0.3 -3,-0.1 0.864 360.0 360.0 -61.9 -33.3 -12.3 1.3 -1.5 319 8 F D 0 0 156 -7,-0.3 -1,-0.3 -6,-0.1 -2,-0.0 0.861 360.0 360.0 -59.7 360.0 -16.0 0.4 -1.9