==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-JUN-10 3NFA . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.S.PEAT,J.NEWMAN,J.J.DEADMAN,D.RHODES . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 4 1.3 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 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 95 0, 0.0 3,-1.3 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -19.4 -1.2 -24.0 -0.6 2 58 A P T 3 + 0 0 25 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.784 360.0 47.7 -61.7 -23.7 1.7 -22.7 1.7 3 59 A G T 3 S+ 0 0 10 51,-0.1 52,-2.3 19,-0.0 53,-2.3 0.307 88.7 110.4 -96.5 11.8 1.8 -26.2 3.3 4 60 A I E < +a 56 0A 46 -3,-1.3 19,-1.7 51,-0.2 20,-0.5 -0.755 38.5 172.5 -98.5 129.2 1.7 -28.3 0.2 5 61 A W E -aB 57 22A 0 51,-2.6 53,-2.5 -2,-0.5 2,-0.4 -0.897 19.4-147.5-128.9 157.4 4.7 -30.4 -1.0 6 62 A Q E -aB 58 21A 29 15,-2.3 15,-2.7 -2,-0.3 2,-0.2 -0.989 12.6-142.4-123.6 127.7 5.3 -33.0 -3.8 7 63 A L E - B 0 20A 1 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.653 21.0-178.4 -86.8 152.9 7.7 -35.9 -3.4 8 64 A D E - B 0 19A 8 11,-2.3 11,-3.3 -2,-0.2 2,-0.4 -0.988 11.5-159.6-151.4 137.9 9.6 -36.9 -6.6 9 65 A C E + B 0 18A 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.993 16.0 171.9-124.0 131.0 12.1 -39.7 -7.0 10 66 A T E - B 0 17A 10 7,-2.3 7,-3.1 -2,-0.4 2,-0.3 -0.919 23.3-125.6-138.2 162.9 14.7 -39.8 -9.8 11 67 A H E + B 0 16A 118 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.861 29.8 157.4-118.3 143.6 17.7 -42.0 -10.6 12 68 A L E > - B 0 15A 44 3,-2.2 3,-2.2 -2,-0.3 -2,-0.0 -0.932 68.4 -0.1-162.0 137.0 21.4 -41.2 -11.3 13 69 A E T 3 S- 0 0 99 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.797 127.0 -60.0 53.2 32.4 24.7 -43.2 -11.1 14 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.701 119.8 100.1 72.1 19.1 22.7 -46.2 -10.0 15 71 A K E < S-B 12 0A 91 -3,-2.2 -3,-2.2 20,-0.0 2,-0.4 -0.759 71.7-113.4-128.1 174.3 21.4 -44.4 -6.9 16 72 A V E -BC 11 33A 8 17,-2.2 17,-2.7 -2,-0.3 2,-0.6 -0.919 14.2-156.1-115.1 137.5 18.2 -42.7 -6.1 17 73 A I E -BC 10 32A 2 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.5 -0.957 12.4-157.5-111.5 118.5 17.7 -38.9 -5.5 18 74 A L E -BC 9 31A 0 13,-2.9 13,-2.3 -2,-0.6 2,-0.4 -0.856 13.6-171.4 -99.9 131.9 14.6 -38.2 -3.4 19 75 A V E -BC 8 30A 0 -11,-3.3 -11,-2.3 -2,-0.5 2,-0.5 -0.948 18.2-163.6-127.0 136.2 13.2 -34.7 -3.8 20 76 A A E -BC 7 29A 0 9,-2.7 9,-1.9 -2,-0.4 2,-0.4 -0.994 16.6-163.6-115.1 125.8 10.5 -32.7 -1.9 21 77 A V E -BC 6 28A 19 -15,-2.7 -15,-2.3 -2,-0.5 2,-0.8 -0.930 20.5-135.1-110.1 132.6 9.2 -29.7 -3.9 22 78 A H E >>> -BC 5 27A 0 5,-3.0 4,-3.0 -2,-0.4 3,-1.2 -0.797 25.0-148.3 -84.5 110.1 7.3 -26.9 -2.2 23 79 A V T 345S+ 0 0 85 -19,-1.7 -1,-0.2 -2,-0.8 -18,-0.1 0.867 87.1 48.5 -59.6 -45.7 4.7 -26.6 -4.9 24 80 A A T 345S+ 0 0 46 -23,-0.5 -1,-0.3 -20,-0.5 -19,-0.1 0.738 125.5 26.1 -65.1 -23.5 3.9 -22.8 -4.7 25 81 A S T <45S- 0 0 4 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.626 92.4-125.8-115.6 -22.3 7.6 -21.7 -4.7 26 82 A G T <5 + 0 0 22 -4,-3.0 2,-0.2 1,-0.3 111,-0.1 0.549 58.8 147.7 82.5 4.8 9.6 -24.3 -6.5 27 83 A Y E < -C 22 0A 1 -5,-0.6 -5,-3.0 110,-0.3 2,-0.3 -0.512 28.5-164.1 -73.0 144.3 11.9 -24.6 -3.5 28 84 A I E -C 21 0A 2 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.884 26.0-164.1-131.3 158.6 13.3 -28.0 -2.9 29 85 A E E +C 20 0A 9 -9,-1.9 -9,-2.7 -2,-0.3 2,-0.3 -0.949 25.9 178.0-125.4 152.4 15.1 -30.3 -0.4 30 86 A A E -C 19 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.981 14.5-172.0-150.9 158.5 16.8 -33.5 -1.7 31 87 A E E -C 18 0A 18 -13,-2.3 -13,-2.9 -2,-0.3 2,-0.5 -0.984 24.0-124.1-146.5 155.2 18.8 -36.5 -0.5 32 88 A V E +C 17 0A 32 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.879 34.6 172.5 -94.9 131.6 20.7 -39.4 -2.1 33 89 A I E -C 16 0A 7 -17,-2.7 -17,-2.2 -2,-0.5 3,-0.1 -0.952 42.4-120.0-132.9 158.8 19.6 -42.9 -0.9 34 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.930 94.5 -11.0 -65.9 -34.1 20.6 -46.4 -2.1 35 91 A A S S- 0 0 51 -20,-0.1 2,-1.6 -19,-0.1 5,-0.1 -0.988 74.9 -99.7-161.2 154.2 16.9 -47.2 -3.0 36 92 A E + 0 0 45 -2,-0.3 2,-0.1 -3,-0.1 -19,-0.0 -0.478 54.4 158.7 -86.1 81.8 13.4 -45.7 -2.4 37 93 A T > - 0 0 67 -2,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.431 54.5-110.3 -95.9 163.0 12.0 -47.8 0.5 38 94 A G H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.922 118.5 55.5 -55.1 -45.6 9.2 -46.7 2.9 39 95 A Q H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 109.8 43.2 -60.6 -45.2 11.7 -46.4 5.7 40 96 A E H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 115.8 49.1 -63.4 -44.3 13.9 -43.9 3.8 41 97 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 111.2 50.1 -59.8 -43.5 10.8 -42.0 2.5 42 98 A A H X S+ 0 0 8 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.897 112.1 47.0 -62.4 -42.3 9.4 -41.8 6.1 43 99 A Y H X S+ 0 0 31 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.5 52.6 -68.0 -39.2 12.7 -40.6 7.5 44 100 A F H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.909 110.1 48.5 -64.4 -39.8 13.0 -38.0 4.7 45 101 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.890 108.0 54.1 -68.4 -36.9 9.5 -36.7 5.5 46 102 A L H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.934 110.3 47.1 -62.1 -46.6 10.2 -36.4 9.2 47 103 A K H X S+ 0 0 41 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.955 113.7 47.6 -56.8 -51.4 13.3 -34.3 8.4 48 104 A L H >X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-1.1 0.925 110.7 50.1 -57.5 -48.5 11.4 -32.1 6.1 49 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.716 106.5 56.8 -70.1 -16.2 8.4 -31.5 8.4 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.709 115.1 38.5 -82.0 -16.7 10.8 -30.6 11.3 51 107 A R H << S+ 0 0 19 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.707 124.8 25.0-104.7 -30.5 12.2 -27.8 9.1 52 108 A W S < S- 0 0 7 -4,-2.0 2,-1.6 -5,-0.1 -1,-0.2 -0.971 88.5 -99.5-135.1 155.1 9.1 -26.4 7.3 53 109 A P - 0 0 63 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.534 46.9-173.0 -78.3 90.3 5.3 -26.4 8.1 54 110 A V + 0 0 11 -2,-1.6 -50,-0.2 -5,-0.3 3,-0.1 -0.728 17.7 162.9 -89.3 115.7 4.4 -29.4 5.9 55 111 A K + 0 0 144 -52,-2.3 25,-3.2 -2,-0.7 2,-0.4 0.822 65.9 15.6 -98.9 -40.5 0.6 -29.8 5.9 56 112 A T E -ad 4 80A 8 -53,-2.3 -51,-2.6 23,-0.2 2,-0.4 -0.999 60.1-165.7-134.2 138.6 0.1 -32.0 2.9 57 113 A V E -ad 5 81A 1 23,-2.4 25,-3.0 -2,-0.4 2,-0.8 -0.985 14.3-147.5-125.0 130.2 2.4 -34.2 0.8 58 114 A H E -ad 6 82A 41 -53,-2.5 -51,-2.9 -2,-0.4 25,-0.2 -0.866 30.8-135.0 -89.6 111.8 1.5 -35.6 -2.6 59 115 A T - 0 0 2 23,-2.2 25,-0.1 -2,-0.8 3,-0.1 -0.280 5.7-127.9 -73.1 156.6 3.4 -38.9 -2.5 60 116 A D S S- 0 0 39 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.654 79.6 -3.4 -86.2 -17.2 5.4 -39.9 -5.6 61 117 A N S > S- 0 0 59 -53,-0.1 4,-1.8 1,-0.0 3,-0.1 -0.970 75.1 -95.6-163.3 172.6 4.0 -43.4 -6.2 62 118 A G H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.761 113.9 62.9 -75.0 -23.2 1.6 -46.0 -4.7 63 119 A S H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 110.6 39.3 -66.7 -44.5 4.2 -47.9 -2.8 64 120 A N H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 113.1 56.3 -67.5 -35.3 5.0 -44.9 -0.6 65 121 A F H < S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 117.2 36.3 -61.7 -37.3 1.3 -44.0 -0.5 66 122 A T H < S+ 0 0 98 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.781 87.0 118.4 -82.1 -33.3 0.7 -47.5 0.9 67 123 A S X - 0 0 22 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 -0.038 55.8-149.6 -45.6 127.6 3.8 -47.9 3.1 68 124 A T H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 99.1 53.4 -72.5 -31.4 2.9 -48.4 6.7 69 125 A T H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.5 48.1 -66.3 -43.0 6.1 -46.7 7.8 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 112.5 48.6 -60.6 -46.6 5.3 -43.7 5.6 71 127 A K H X S+ 0 0 94 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.906 109.3 53.2 -64.4 -38.7 1.8 -43.5 7.0 72 128 A A H X S+ 0 0 54 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.916 111.4 46.8 -58.1 -39.5 3.3 -43.8 10.6 73 129 A A H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 6,-0.2 0.907 110.2 50.8 -72.5 -39.2 5.6 -40.8 9.9 74 130 A C H <>S+ 0 0 6 -4,-2.7 5,-3.2 2,-0.2 4,-0.5 0.891 112.8 47.7 -62.3 -38.6 2.9 -38.7 8.3 75 131 A W H ><5S+ 0 0 198 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.965 112.9 48.3 -63.2 -46.9 0.7 -39.4 11.4 76 132 A W H 3<5S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.914 116.8 42.4 -59.9 -44.5 3.6 -38.5 13.8 77 133 A A T 3<5S- 0 0 7 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.417 112.0-114.3 -90.8 1.9 4.4 -35.3 12.0 78 134 A G T < 5 + 0 0 58 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.846 64.2 149.7 76.4 28.3 0.9 -34.1 11.4 79 135 A I < - 0 0 11 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.860 46.3-134.8-105.3 133.3 1.1 -34.4 7.7 80 136 A K E -d 56 0A 124 -25,-3.2 -23,-2.4 -2,-0.5 2,-0.4 -0.723 23.2-145.7 -81.8 117.4 -1.9 -35.3 5.4 81 137 A Q E +d 57 0A 32 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.675 26.0 172.3 -86.5 124.7 -0.7 -37.9 3.0 82 138 A E E -d 58 0A 55 -25,-3.0 -23,-2.2 -2,-0.4 2,-0.1 -0.824 35.4 -98.0-121.0 169.0 -2.3 -37.6 -0.5 83 139 A D - 0 0 46 -2,-0.3 -23,-0.1 -25,-0.2 -1,-0.0 -0.376 22.6-139.5 -73.1 168.8 -1.8 -39.2 -3.9 84 140 A G + 0 0 23 -26,-0.2 -26,-0.1 -25,-0.1 -1,-0.1 -0.049 44.7 150.1-119.3 28.5 0.3 -37.4 -6.4 85 141 A I - 0 0 98 1,-0.1 2,-2.0 -24,-0.0 3,-0.2 -0.536 53.0-123.1 -68.6 124.4 -1.8 -38.2 -9.5 86 142 A P + 0 0 39 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.483 44.2 162.3 -68.7 75.0 -1.4 -35.4 -12.0 87 143 A Y S S+ 0 0 171 -2,-2.0 3,-0.1 1,-0.2 -2,-0.0 0.852 79.3 57.7 -61.8 -37.9 -5.2 -34.4 -12.4 88 144 A N S > S- 0 0 101 -3,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.894 93.2-152.1 -83.3 101.1 -3.7 -31.2 -13.8 89 145 A P T >> S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.727 85.8 76.3 -54.1 -28.2 -1.8 -33.0 -16.6 90 146 A Q H 3> S+ 0 0 151 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.586 82.3 75.6 -56.3 -9.9 1.0 -30.3 -16.8 91 147 A S H <> S+ 0 0 43 -3,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 87.0 53.4 -70.6 -49.0 2.2 -31.9 -13.5 92 148 A Q H <> S+ 0 0 111 -3,-1.0 4,-2.3 -4,-0.2 -1,-0.2 0.934 116.4 42.2 -47.8 -50.4 3.8 -35.0 -15.2 93 149 A G H X S+ 0 0 33 -4,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.872 110.4 54.1 -68.1 -43.5 5.7 -32.6 -17.4 94 150 A V H X S+ 0 0 100 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 112.4 45.3 -59.5 -45.7 6.6 -30.0 -14.7 95 151 A I H X S+ 0 0 41 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.920 112.8 50.0 -61.7 -48.7 8.2 -32.8 -12.6 96 152 A E H X S+ 0 0 135 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.917 111.2 50.5 -52.5 -45.7 10.0 -34.3 -15.6 97 153 A S H X S+ 0 0 72 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.912 110.1 50.3 -61.6 -44.8 11.3 -30.8 -16.4 98 154 A M H X S+ 0 0 32 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.945 110.2 48.8 -58.2 -47.9 12.5 -30.4 -12.8 99 155 A N H X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.908 111.4 50.2 -61.1 -41.3 14.4 -33.7 -12.8 100 156 A K H X S+ 0 0 148 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.933 111.8 47.6 -59.3 -48.6 16.0 -32.8 -16.1 101 157 A E H X S+ 0 0 73 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.912 111.5 50.8 -60.3 -41.2 17.1 -29.4 -14.7 102 158 A L H X S+ 0 0 8 -4,-2.8 4,-3.5 1,-0.2 5,-0.2 0.939 109.9 48.8 -63.9 -44.5 18.5 -31.0 -11.5 103 159 A K H X S+ 0 0 75 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.871 110.0 52.6 -64.5 -34.6 20.5 -33.5 -13.4 104 160 A K H X S+ 0 0 117 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 111.1 46.7 -61.6 -49.6 21.9 -30.7 -15.5 105 161 A I H X S+ 0 0 7 -4,-2.8 4,-1.8 1,-0.2 5,-0.3 0.962 111.4 51.5 -60.2 -47.0 22.9 -28.8 -12.4 106 162 A I H X S+ 0 0 3 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.893 108.1 50.9 -53.8 -45.3 24.4 -31.9 -11.0 107 163 A G H < S+ 0 0 52 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.890 107.5 55.9 -62.7 -34.9 26.4 -32.4 -14.2 108 164 A Q H < S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 121.9 25.7 -66.7 -29.8 27.6 -28.8 -14.0 109 165 A V H >< S+ 0 0 4 -4,-1.8 3,-2.7 -3,-0.2 4,-0.5 0.523 91.4 106.5-105.2 -6.4 29.1 -29.3 -10.5 110 166 A R G >< S+ 0 0 58 -4,-1.7 3,-1.1 1,-0.3 -2,-0.1 0.790 78.9 51.2 -51.0 -39.9 29.7 -33.1 -10.7 111 167 A D G 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.597 96.1 68.2 -75.3 -12.8 33.5 -32.7 -11.0 112 168 A Q G < S+ 0 0 99 -3,-2.7 2,-0.3 1,-0.1 -1,-0.2 0.624 104.5 43.1 -81.3 -11.0 33.9 -30.4 -7.9 113 169 A A < - 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0 0 61 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.549 47.1-172.2 -80.0 88.8 20.2 -17.8 3.6 205 110 B V + 0 0 11 -2,-1.6 -50,-0.2 -5,-0.3 3,-0.1 -0.701 18.2 162.2 -87.1 114.0 23.3 -18.5 5.8 206 111 B K + 0 0 117 -52,-2.1 25,-2.9 -2,-0.7 2,-0.4 0.834 66.4 16.9 -99.0 -41.2 25.5 -15.4 5.8 207 112 B T E -fi 155 231C 8 -53,-2.3 -51,-2.3 23,-0.2 2,-0.4 -0.998 60.6-162.9-136.2 140.1 27.7 -16.1 8.8 208 113 B V E -fi 156 232C 1 23,-2.4 25,-3.1 -2,-0.4 2,-0.8 -0.983 12.1-149.8-121.1 125.4 28.5 -19.2 10.8 209 114 B H E -fi 157 233C 41 -53,-2.7 -51,-2.9 -2,-0.4 25,-0.2 -0.860 30.3-136.2 -88.9 111.5 30.0 -19.1 14.3 210 115 B T - 0 0 2 23,-2.5 25,-0.1 -2,-0.8 3,-0.1 -0.297 4.2-129.6 -75.4 157.8 32.0 -22.4 14.3 211 116 B D S S- 0 0 39 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.641 79.1 -2.0 -85.5 -16.0 31.8 -24.6 17.4 212 117 B N S > S- 0 0 58 -53,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.971 75.0 -96.3-166.0 170.6 35.6 -25.2 17.9 213 118 B G H > S+ 0 0 46 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.750 113.6 61.8 -75.5 -21.8 39.0 -24.4 16.5 214 119 B S H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 110.8 40.1 -69.0 -45.1 39.4 -27.6 14.5 215 120 B N H 4 S+ 0 0 5 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 113.2 55.0 -69.0 -32.6 36.4 -26.8 12.4 216 121 B F H < S+ 0 0 71 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.8 36.9 -65.1 -36.6 37.4 -23.1 12.2 217 122 B T H < S+ 0 0 96 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.789 87.4 117.7 -81.8 -33.7 40.8 -24.4 10.9 218 123 B S X - 0 0 22 -4,-2.3 4,-2.4 -5,-0.1 5,-0.1 -0.031 56.4-148.9 -46.5 130.3 39.6 -27.2 8.7 219 124 B T H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 99.1 52.8 -72.8 -33.7 40.4 -26.7 5.0 220 125 B T H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 109.9 48.9 -65.7 -42.1 37.3 -28.6 3.9 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 112.2 48.1 -60.2 -46.3 35.2 -26.4 6.2 222 127 B K H X S+ 0 0 92 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.908 110.2 52.5 -65.0 -36.3 36.8 -23.4 4.7 223 128 B A H X S+ 0 0 55 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.931 111.2 46.9 -61.3 -40.6 36.2 -24.7 1.2 224 129 B A H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 6,-0.2 0.917 110.8 50.8 -70.0 -38.1 32.6 -25.3 1.9 225 130 B C H X>S+ 0 0 4 -4,-2.5 5,-3.2 2,-0.2 4,-0.6 0.891 112.7 46.9 -63.5 -40.2 32.1 -21.8 3.4 226 131 B W H ><5S+ 0 0 197 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.961 113.2 49.4 -63.1 -47.0 33.8 -20.3 0.3 227 132 B W H 3<5S+ 0 0 51 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.925 116.9 40.9 -57.2 -45.7 31.6 -22.4 -2.0 228 133 B A H 3<5S- 0 0 8 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.453 112.8-112.8 -91.8 0.4 28.3 -21.5 -0.2 229 134 B G T <<5 + 0 0 59 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.834 64.7 150.4 78.1 27.2 29.1 -17.8 0.3 230 135 B I < - 0 0 12 -5,-3.2 2,-0.6 -6,-0.2 -1,-0.2 -0.842 45.0-137.2-102.1 133.7 29.3 -18.2 4.1 231 136 B K E -i 207 0C 114 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.5 -0.751 22.6-146.8 -82.1 118.4 31.5 -16.0 6.4 232 137 B Q E +i 208 0C 38 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.688 24.4 174.0 -91.2 124.2 33.1 -18.3 8.8 233 138 B E E -i 209 0C 81 -25,-3.1 -23,-2.5 -2,-0.5 2,-0.1 -0.851 35.1 -97.1-119.8 167.6 33.7 -16.7 12.3 234 139 B D - 0 0 44 -2,-0.3 -23,-0.1 -25,-0.2 -21,-0.0 -0.345 23.4-137.5 -69.2 165.4 34.9 -18.1 15.7 235 140 B G + 0 0 25 -26,-0.2 -26,-0.1 -25,-0.1 -1,-0.1 -0.010 46.2 151.8-111.1 29.1 32.2 -19.0 18.2 236 141 B I - 0 0 95 1,-0.1 2,-2.3 2,-0.0 3,-0.2 -0.512 52.7-124.2 -70.0 121.5 34.0 -17.4 21.1 237 142 B P + 0 0 45 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.427 42.0 166.0 -63.7 71.6 31.4 -16.4 23.7 238 143 B Y S S+ 0 0 166 -2,-2.3 -2,-0.0 1,-0.2 3,-0.0 0.812 80.1 53.4 -59.1 -33.6 32.4 -12.7 23.9 239 144 B N S > S- 0 0 109 -3,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.915 94.0-148.3 -96.1 99.2 29.0 -12.3 25.6 240 145 B P T >> S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.600 87.7 80.0 -47.9 -22.6 29.6 -15.0 28.3 241 146 B Q H 3> S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.447 80.0 78.3 -63.1 1.1 25.9 -15.9 28.4 242 147 B S H <> S+ 0 0 43 -3,-1.6 4,-2.4 2,-0.2 5,-0.3 0.938 84.4 52.3 -76.0 -53.7 26.8 -17.9 25.3 243 148 B Q H <> S+ 0 0 111 -3,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.907 116.5 44.7 -45.3 -45.1 28.4 -21.0 26.9 244 149 B G H X S+ 0 0 24 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.832 108.0 53.2 -75.7 -40.3 25.3 -21.2 29.0 245 150 B V H X S+ 0 0 97 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.946 114.8 43.9 -58.0 -48.3 22.6 -20.7 26.3 246 151 B I H X S+ 0 0 40 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.921 112.9 50.7 -62.6 -48.5 24.3 -23.6 24.3 247 152 B E H X S+ 0 0 127 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.929 111.9 48.6 -53.4 -48.2 24.7 -25.8 27.4 248 153 B S H X S+ 0 0 69 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 111.1 50.8 -60.2 -42.2 21.0 -25.3 28.1 249 154 B M H X S+ 0 0 31 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.950 109.9 48.8 -63.8 -44.6 20.1 -26.1 24.5 250 155 B N H X S+ 0 0 23 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.914 112.3 49.1 -60.3 -42.6 22.1 -29.3 24.6 251 156 B K H X S+ 0 0 159 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.932 112.6 47.4 -55.9 -51.5 20.3 -30.2 27.9 252 157 B E H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.926 111.5 50.5 -61.4 -44.5 16.9 -29.5 26.4 253 158 B L H X S+ 0 0 8 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.931 111.0 47.9 -60.9 -45.8 17.6 -31.4 23.2 254 159 B K H X S+ 0 0 79 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.849 109.5 53.7 -65.8 -33.0 18.7 -34.5 25.0 255 160 B K H X S+ 0 0 114 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.927 111.2 46.3 -62.7 -46.6 15.7 -34.3 27.3 256 161 B I H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.945 109.7 53.1 -62.7 -47.4 13.5 -34.2 24.2 257 162 B I H X S+ 0 0 3 -4,-3.1 4,-1.4 1,-0.2 3,-0.2 0.897 108.3 51.4 -53.7 -41.0 15.4 -37.1 22.7 258 163 B G H < S+ 0 0 52 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.895 105.9 55.3 -67.7 -31.8 14.8 -39.1 25.9 259 164 B Q H < S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 121.8 27.6 -69.0 -26.8 11.1 -38.4 25.7 260 165 B V H >< S+ 0 0 4 -4,-1.6 3,-2.0 -3,-0.2 4,-0.5 0.521 91.1 105.1-106.1 -5.6 10.8 -39.8 22.2 261 166 B R G >< S+ 0 0 59 -4,-1.4 3,-0.9 1,-0.3 -2,-0.1 0.766 77.9 52.6 -54.0 -36.8 13.7 -42.3 22.4 262 167 B D G 3 S+ 0 0 143 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.727 95.9 68.3 -72.4 -21.5 11.5 -45.4 22.7 263 168 B Q G < S+ 0 0 101 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 0.649 105.0 41.0 -75.6 -14.7 9.3 -44.6 19.6 264 169 B A < - 0 0 18 -3,-0.9 6,-0.0 -4,-0.5 -1,-0.0 -0.973 64.3-146.5-133.0 153.3 12.3 -45.2 17.2 265 170 B E S S+ 0 0 163 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.954 82.8 62.8 -79.1 -48.6 15.1 -47.7 17.0 266 171 B H S >> S- 0 0 94 1,-0.1 4,-1.6 4,-0.0 3,-0.6 -0.547 74.6-137.8 -83.0 138.8 17.8 -45.4 15.5 267 172 B L H 3> S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.871 103.6 63.1 -54.7 -39.4 19.1 -42.5 17.3 268 173 B K H 3> S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 102.4 50.2 -62.3 -34.4 19.0 -40.4 14.1 269 174 B T H <> S+ 0 0 33 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.942 110.6 48.4 -65.7 -42.9 15.2 -40.8 14.0 270 175 B A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.869 109.2 54.1 -65.6 -36.2 14.8 -39.7 17.6 271 176 B V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.928 108.6 48.1 -63.7 -43.3 17.1 -36.7 16.9 272 177 B Q H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.859 109.4 53.1 -66.9 -34.0 14.9 -35.6 14.0 273 178 B M H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.896 109.7 49.8 -60.8 -40.0 11.7 -36.0 16.1 274 179 B A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.886 108.5 51.4 -68.3 -38.5 13.4 -33.7 18.7 275 180 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.953 111.5 49.3 -56.4 -50.2 14.2 -31.2 15.9 276 181 B F H X S+ 0 0 29 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.943 113.3 44.7 -54.0 -53.5 10.6 -31.3 15.0 277 182 B I H X S+ 0 0 56 -4,-2.8 4,-1.2 1,-0.2 3,-0.3 0.937 114.8 49.1 -61.8 -41.9 9.3 -30.8 18.6 278 183 B H H >< S+ 0 0 52 -4,-3.1 3,-0.7 1,-0.2 10,-0.5 0.940 112.9 45.6 -62.2 -49.9 11.8 -28.0 19.3 279 184 B N H 3< S+ 0 0 3 -4,-2.8 10,-2.2 1,-0.2 11,-0.3 0.722 117.0 44.2 -70.5 -22.1 11.0 -26.0 16.2 280 185 B H H 3< S+ 0 0 73 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.571 84.9 119.1 -94.8 -12.6 7.3 -26.4 16.6 281 186 B K << - 0 0 117 -4,-1.2 7,-0.5 -3,-0.7 2,-0.4 -0.348 64.0-128.7 -61.2 127.8 7.1 -25.6 20.4 282 187 B R B J 287 0D 147 5,-0.2 5,-0.2 -2,-0.1 4,-0.1 -0.635 360.0 360.0 -77.2 128.1 5.1 -22.6 21.3 283 188 B K 0 0 167 3,-2.2 3,-0.4 -2,-0.4 -1,-0.1 -0.773 360.0 360.0-110.6 360.0 7.0 -20.2 23.5 284 ! 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 88 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.9 3.2 -17.0 21.5 286 194 B Y - 0 0 99 -3,-0.4 -3,-2.2 -4,-0.1 2,-0.2 -0.410 360.0-130.2 -88.3 156.8 5.3 -17.9 18.5 287 195 B S B > -J 282 0D 9 -5,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.647 30.1-109.4 -92.6 165.3 7.4 -21.1 17.6 288 196 B A H > S+ 0 0 2 -7,-0.5 4,-2.6 -10,-0.5 -110,-0.3 0.909 121.2 54.8 -56.2 -42.3 11.1 -21.0 16.5 289 197 B G H > S+ 0 0 18 -10,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.910 110.0 45.9 -58.5 -40.0 9.9 -22.1 13.0 290 198 B E H > S+ 0 0 45 -11,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.924 112.3 51.5 -69.1 -41.3 7.5 -19.1 12.9 291 199 B R H X S+ 0 0 70 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.908 108.4 49.3 -62.5 -43.6 10.2 -16.7 14.2 292 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.951 112.3 47.8 -67.6 -41.1 12.8 -17.7 11.6 293 201 B V H X S+ 0 0 4 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.913 114.7 46.2 -61.9 -45.0 10.4 -17.3 8.7 294 202 B D H X S+ 0 0 28 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.918 112.9 51.0 -64.9 -44.5 9.2 -13.9 10.0 295 203 B I H X S+ 0 0 48 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.932 115.0 40.5 -56.9 -48.5 12.8 -12.7 10.6 296 204 B I H X S+ 0 0 5 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.896 115.3 52.0 -73.8 -35.4 14.0 -13.6 7.1 297 205 B A H X S+ 0 0 6 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.940 108.9 49.2 -65.5 -43.0 10.8 -12.4 5.4 298 206 B T H < S+ 0 0 105 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.930 110.6 53.4 -58.5 -44.8 11.0 -9.0 7.2 299 207 B D H < S+ 0 0 103 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.901 105.1 52.8 -54.5 -46.4 14.6 -9.0 6.0 300 208 B I H < 0 0 45 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.877 360.0 360.0 -58.0 -37.6 13.6 -9.6 2.4 301 209 B Q < 0 0 156 -4,-1.8 0, 0.0 -3,-0.2 0, 0.0 -0.405 360.0 360.0 -74.0 360.0 11.1 -6.6 2.4