==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-11 3ZT0 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.S.PEAT,J.NEWMAN,D.I.RHODES,N.VANDERGRAAFF,G.LE,E.D.JONES,J . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 74.8 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 . 36 12.1 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 42.6 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 2 0 0 0 2 4 0 0 0 1 0 1 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 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 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 84 0, 0.0 3,-1.4 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -41.6 21.4 -30.2 0.1 2 58 A P T 3 + 0 0 29 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.777 360.0 43.7 -51.5 -30.6 18.7 -28.4 2.3 3 59 A G T 3 S+ 0 0 7 51,-0.1 53,-2.3 19,-0.0 52,-1.9 0.253 86.5 113.1-101.3 10.8 21.7 -26.4 3.7 4 60 A I E < +a 56 0A 48 -3,-1.4 19,-1.6 51,-0.2 20,-0.4 -0.752 39.2 176.4 -95.8 124.2 23.7 -25.6 0.6 5 61 A W E -aB 57 22A 0 51,-2.8 53,-2.9 -2,-0.5 2,-0.4 -0.922 18.9-145.9-123.6 153.3 24.0 -22.0 -0.5 6 62 A Q E -aB 58 21A 28 15,-2.5 15,-3.1 -2,-0.3 2,-0.3 -0.981 11.8-142.0-117.1 126.7 25.9 -20.2 -3.3 7 63 A L E - B 0 20A 1 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.626 22.3-177.9 -83.1 144.7 27.4 -16.7 -2.9 8 64 A D E - B 0 19A 8 11,-2.7 11,-3.4 -2,-0.3 2,-0.4 -0.994 11.0-161.6-145.3 133.5 27.2 -14.5 -6.0 9 65 A C E + B 0 18A 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 15.5 168.9-120.6 133.2 28.5 -10.9 -6.6 10 66 A T E - B 0 17A 11 7,-2.2 7,-3.1 -2,-0.4 2,-0.4 -0.875 23.6-128.6-137.6 167.1 27.2 -8.6 -9.3 11 67 A H E + B 0 16A 114 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.938 27.9 159.1-127.3 138.2 27.7 -4.9 -10.1 12 68 A L E > + B 0 15A 50 3,-1.9 3,-2.5 -2,-0.4 -2,-0.0 -0.937 68.7 1.8-157.3 140.9 25.2 -2.1 -10.8 13 69 A E T 3 S- 0 0 95 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.767 127.4 -60.3 52.1 30.9 25.4 1.8 -10.6 14 70 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.597 119.8 103.9 76.5 9.6 29.0 1.5 -9.5 15 71 A K E < S-B 12 0A 86 -3,-2.5 -3,-1.9 20,-0.0 2,-0.4 -0.681 70.8-113.7-112.9 172.5 27.9 -0.5 -6.4 16 72 A V E -BC 11 33A 7 17,-2.3 17,-2.6 -2,-0.2 2,-0.6 -0.900 14.2-156.7-109.1 138.6 28.1 -4.2 -5.5 17 73 A I E -BC 10 32A 0 -7,-3.1 -7,-2.2 -2,-0.4 2,-0.5 -0.973 12.6-158.8-111.2 111.5 25.0 -6.5 -5.1 18 74 A L E -BC 9 31A 0 13,-3.1 13,-2.2 -2,-0.6 2,-0.4 -0.854 13.1-172.1 -93.3 124.0 25.9 -9.5 -2.9 19 75 A V E -BC 8 30A 0 -11,-3.4 -11,-2.7 -2,-0.5 2,-0.5 -0.949 19.2-162.7-120.1 138.9 23.6 -12.5 -3.3 20 76 A A E -BC 7 29A 1 9,-2.5 9,-1.7 -2,-0.4 2,-0.5 -0.996 17.6-161.7-112.8 121.3 23.2 -15.8 -1.4 21 77 A V E -BC 6 28A 19 -15,-3.1 -15,-2.5 -2,-0.5 2,-0.9 -0.932 18.6-135.2-106.9 128.3 21.2 -18.4 -3.5 22 78 A H E >> -B 5 0A 0 5,-3.3 4,-2.6 -2,-0.5 3,-1.1 -0.742 23.8-148.1 -77.8 107.3 19.7 -21.4 -1.8 23 79 A V T 34 S+ 0 0 85 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.865 87.2 46.3 -54.8 -48.0 20.8 -24.0 -4.4 24 80 A A T 34 S+ 0 0 46 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.771 126.4 25.4 -66.1 -25.9 17.9 -26.4 -4.2 25 81 A S T <4 S- 0 0 4 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.648 93.0-124.7-112.4 -21.0 15.0 -23.8 -4.3 26 82 A G < + 0 0 23 -4,-2.6 111,-0.1 1,-0.3 -3,-0.1 0.501 58.3 150.2 73.0 7.3 16.4 -20.8 -6.1 27 83 A Y - 0 0 2 -5,-0.5 -5,-3.3 110,-0.3 2,-0.3 -0.454 26.6-163.2 -64.4 143.7 15.5 -18.6 -3.0 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.926 26.4-165.0-133.9 151.3 17.7 -15.6 -2.5 29 85 A E E -C 20 0A 11 -9,-1.7 -9,-2.5 -2,-0.3 2,-0.3 -0.954 25.8-178.3-119.1 151.1 18.8 -12.9 0.0 30 86 A A E -C 19 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.983 13.2-173.0-149.0 150.9 20.7 -9.9 -1.3 31 87 A E E -C 18 0A 19 -13,-2.2 -13,-3.1 -2,-0.3 2,-0.5 -0.992 22.9-128.1-141.7 150.4 22.3 -6.7 -0.1 32 88 A V E +C 17 0A 31 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.851 33.1 171.5 -91.1 133.8 23.9 -3.7 -1.7 33 89 A I E -C 16 0A 6 -17,-2.6 -17,-2.3 -2,-0.5 3,-0.1 -0.940 42.3-116.9-135.9 158.9 27.5 -2.8 -0.4 34 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.904 94.4 -13.8 -67.5 -33.3 30.0 -0.2 -1.7 35 91 A A S S- 0 0 51 -20,-0.1 2,-0.5 -19,-0.1 5,-0.1 -0.960 78.3 -97.5-160.6 151.7 32.6 -2.9 -2.6 36 92 A E + 0 0 47 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.681 53.5 161.8 -78.3 118.9 33.0 -6.6 -1.9 37 93 A T > - 0 0 67 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.878 52.9-109.3-125.3 162.8 35.4 -6.8 1.0 38 94 A G H > S+ 0 0 20 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.922 118.4 55.3 -56.6 -44.9 36.0 -9.8 3.3 39 95 A Q H > S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 110.2 44.3 -56.7 -50.0 34.3 -7.8 6.2 40 96 A E H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 114.6 48.1 -57.8 -47.5 31.1 -7.2 4.3 41 97 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 113.1 49.3 -62.7 -45.5 30.9 -10.8 3.0 42 98 A A H X S+ 0 0 8 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.918 112.0 48.1 -53.2 -51.1 31.5 -12.1 6.5 43 99 A Y H X S+ 0 0 30 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.882 110.4 51.8 -57.9 -42.2 28.8 -9.8 7.9 44 100 A F H X S+ 0 0 9 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.919 110.5 48.3 -65.3 -39.9 26.4 -10.9 5.1 45 101 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.908 108.0 54.1 -67.8 -41.5 27.0 -14.6 5.9 46 102 A L H X S+ 0 0 11 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.912 110.9 46.6 -53.0 -50.9 26.5 -14.1 9.7 47 103 A K H X S+ 0 0 44 -4,-2.0 4,-0.7 2,-0.2 3,-0.5 0.953 113.6 48.8 -57.3 -52.4 23.1 -12.5 8.9 48 104 A L H >X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 3,-1.2 0.925 110.3 49.4 -53.8 -49.8 22.2 -15.3 6.5 49 105 A A H 3< S+ 0 0 2 -4,-3.1 5,-0.2 1,-0.3 -1,-0.2 0.742 106.5 56.7 -67.5 -24.9 23.1 -18.2 8.9 50 106 A G H 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.684 115.3 39.2 -75.2 -18.3 21.1 -16.5 11.8 51 107 A R H << S+ 0 0 18 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.691 124.5 23.5-101.8 -29.5 18.0 -16.6 9.5 52 108 A W S < S- 0 0 6 -4,-1.9 2,-1.5 -49,-0.0 -1,-0.2 -0.967 88.5 -97.2-138.6 151.0 18.3 -20.1 7.7 53 109 A P - 0 0 63 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.573 47.3-172.6 -74.4 88.7 20.1 -23.4 8.5 54 110 A V + 0 0 11 -2,-1.5 -50,-0.2 -5,-0.2 3,-0.1 -0.755 19.1 162.1 -88.6 107.3 23.3 -22.8 6.4 55 111 A K + 0 0 135 -52,-1.9 25,-2.8 -2,-0.7 2,-0.4 0.853 66.9 17.9 -90.0 -43.7 25.4 -25.9 6.3 56 112 A T E -ad 4 80A 9 -53,-2.3 -51,-2.8 23,-0.2 2,-0.5 -0.991 59.2-162.4-134.8 132.4 27.7 -25.1 3.3 57 113 A V E -ad 5 81A 1 23,-2.4 25,-3.0 -2,-0.4 2,-0.9 -0.972 11.3-151.2-116.1 121.1 28.5 -22.0 1.4 58 114 A H E -ad 6 82A 40 -53,-2.9 -51,-2.9 -2,-0.5 25,-0.2 -0.801 30.6-134.3 -81.3 108.4 30.1 -22.1 -2.0 59 115 A T - 0 0 1 23,-2.3 25,-0.1 -2,-0.9 3,-0.1 -0.281 3.3-130.5 -70.5 153.4 32.1 -18.9 -2.0 60 116 A D S S- 0 0 39 23,-0.1 2,-0.3 1,-0.1 -51,-0.2 0.567 78.5 -3.1 -84.7 -13.5 31.9 -16.6 -5.1 61 117 A N S > S- 0 0 60 -53,-0.1 4,-1.5 24,-0.0 5,-0.1 -0.973 74.8 -95.4-167.8 172.6 35.7 -16.0 -5.6 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.727 114.9 61.7 -78.8 -20.6 39.1 -16.8 -4.3 63 119 A S H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 110.2 40.7 -68.7 -42.8 39.5 -13.6 -2.3 64 120 A N H 4 S+ 0 0 4 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.780 113.3 55.0 -71.2 -29.2 36.5 -14.5 -0.2 65 121 A F H < S+ 0 0 70 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.6 37.4 -68.9 -38.8 37.6 -18.1 0.0 66 122 A T H < S+ 0 0 97 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.809 87.5 120.1 -82.1 -31.5 41.0 -16.9 1.4 67 123 A S X - 0 0 21 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.010 54.1-152.8 -42.5 120.1 39.7 -14.1 3.6 68 124 A T H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 98.0 52.3 -67.1 -31.1 40.6 -14.6 7.2 69 125 A T H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 108.9 48.8 -68.3 -42.0 37.5 -12.6 8.2 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 111.8 49.4 -63.7 -45.8 35.2 -14.7 6.1 71 127 A K H X S+ 0 0 94 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.908 110.5 51.3 -59.8 -41.3 36.8 -17.9 7.6 72 128 A A H X S+ 0 0 54 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.915 110.5 47.8 -60.3 -45.8 36.2 -16.5 11.1 73 129 A A H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.945 111.8 50.1 -62.6 -40.4 32.6 -15.8 10.4 74 130 A C H <>S+ 0 0 4 -4,-2.6 5,-3.2 2,-0.2 4,-0.3 0.901 111.6 48.0 -62.8 -42.7 32.1 -19.3 8.9 75 131 A W H ><5S+ 0 0 197 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.947 113.4 48.6 -59.8 -49.7 33.7 -20.9 12.0 76 132 A W H 3<5S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.943 116.3 41.8 -57.2 -48.4 31.5 -18.7 14.3 77 133 A A T 3<5S- 0 0 6 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.297 113.2-112.2 -83.5 5.6 28.3 -19.5 12.4 78 134 A G T < 5 + 0 0 57 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.857 64.3 152.8 67.8 31.8 29.0 -23.3 11.9 79 135 A I < - 0 0 13 -5,-3.2 2,-0.8 -6,-0.2 -1,-0.2 -0.887 44.3-139.4-103.8 126.3 29.4 -22.9 8.1 80 136 A K E -d 56 0A 139 -25,-2.8 -23,-2.4 -2,-0.5 2,-0.4 -0.738 24.2-146.0 -73.5 109.7 31.5 -25.2 6.0 81 137 A Q E +d 57 0A 33 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.694 24.6 175.2 -81.3 129.8 33.2 -22.9 3.5 82 138 A E E -d 58 0A 63 -25,-3.0 -23,-2.3 -2,-0.4 2,-0.1 -0.824 34.4 -98.9-125.1 165.0 33.7 -24.4 0.0 83 139 A D - 0 0 46 -2,-0.3 -23,-0.1 -25,-0.2 -21,-0.0 -0.374 25.2-134.1 -73.1 167.5 35.0 -23.2 -3.3 84 140 A G + 0 0 30 -26,-0.2 -26,-0.1 -2,-0.1 -1,-0.1 -0.031 50.4 147.9-111.6 26.4 32.4 -22.2 -5.9 85 141 A I - 0 0 91 1,-0.1 2,-2.4 2,-0.0 3,-0.2 -0.522 52.2-129.4 -70.6 123.5 34.2 -24.0 -8.7 86 142 A P + 0 0 43 0, 0.0 5,-0.2 0, 0.0 6,-0.2 -0.449 38.8 166.1 -77.5 70.8 31.4 -25.2 -11.1 87 143 A Y S S+ 0 0 175 -2,-2.4 3,-0.1 1,-0.2 -2,-0.0 0.763 81.1 61.2 -51.6 -27.5 32.5 -28.9 -11.3 88 144 A N S > S- 0 0 87 -3,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.945 85.1-158.1 -94.1 109.0 29.0 -28.9 -12.7 89 145 A P G >> S+ 0 0 90 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.742 84.6 75.8 -62.7 -23.7 29.4 -26.6 -15.8 90 146 A Q G 34 S+ 0 0 159 1,-0.2 -3,-0.1 2,-0.1 -2,-0.0 -0.051 86.1 68.5 -75.5 35.1 25.6 -25.9 -15.8 91 147 A S G <> S+ 0 0 38 -3,-0.5 4,-2.2 -2,-0.5 -1,-0.2 0.635 88.3 56.8-118.5 -39.9 26.3 -23.7 -12.7 92 148 A Q H <> S+ 0 0 98 -3,-0.7 4,-1.9 -4,-0.3 -2,-0.1 0.909 112.8 43.9 -53.5 -47.9 28.2 -20.8 -14.4 93 149 A G H X S+ 0 0 35 -4,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.824 109.5 56.3 -69.2 -35.0 25.3 -20.2 -16.7 94 150 A V H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.896 110.9 42.9 -69.6 -42.7 22.7 -20.6 -13.9 95 151 A I H X S+ 0 0 43 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.898 113.8 51.6 -64.1 -48.3 24.3 -17.7 -11.9 96 152 A E H X S+ 0 0 131 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.927 110.6 50.1 -54.7 -45.8 24.8 -15.6 -15.0 97 153 A S H X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.863 109.9 50.3 -61.5 -37.5 21.1 -16.1 -15.8 98 154 A M H X S+ 0 0 18 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.927 108.1 51.2 -71.6 -39.4 20.2 -15.1 -12.3 99 155 A N H X S+ 0 0 22 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.924 112.0 49.0 -60.3 -39.3 22.2 -11.9 -12.4 100 156 A K H X S+ 0 0 164 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.917 113.9 43.7 -61.1 -50.8 20.4 -11.1 -15.7 101 157 A E H X S+ 0 0 50 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.931 115.0 51.0 -61.0 -46.3 16.9 -11.8 -14.3 102 158 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.935 111.5 46.1 -56.5 -48.6 17.7 -9.9 -11.1 103 159 A K H X S+ 0 0 75 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.834 109.8 54.8 -68.7 -33.8 19.0 -6.9 -13.0 104 160 A K H X S+ 0 0 142 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.969 110.2 46.4 -58.7 -55.7 15.9 -7.1 -15.3 105 161 A I H X S+ 0 0 10 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.917 109.9 53.2 -52.2 -49.1 13.6 -6.9 -12.2 106 162 A I H X S+ 0 0 3 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.876 108.8 50.5 -56.3 -41.8 15.7 -4.1 -10.7 107 163 A G H < S+ 0 0 54 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.890 107.7 54.0 -60.3 -38.5 15.1 -2.2 -14.0 108 164 A Q H < S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.754 122.1 28.3 -67.6 -28.7 11.3 -2.9 -13.8 109 165 A V H >< S+ 0 0 4 -4,-1.6 3,-3.0 -3,-0.2 -1,-0.2 0.462 88.7 107.4-103.2 -5.5 11.2 -1.3 -10.2 110 166 A R G >< S+ 0 0 58 -4,-1.3 3,-0.8 1,-0.3 9,-0.1 0.753 79.2 51.0 -55.4 -34.5 14.1 1.2 -10.5 111 167 A D G 3 S+ 0 0 144 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.591 92.1 77.6 -75.4 -9.6 11.9 4.3 -10.6 112 168 A Q G < S+ 0 0 99 -3,-3.0 2,-0.3 1,-0.1 -1,-0.2 0.420 105.0 22.2 -82.4 6.7 9.9 3.2 -7.6 113 169 A A < - 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0 0 13 -5,-3.3 2,-0.8 -6,-0.2 -1,-0.2 -0.843 43.5-140.3-100.9 128.5 1.2 -6.6 4.2 231 136 B K E -i 207 0C 123 -25,-2.7 -23,-2.5 -2,-0.5 2,-0.5 -0.746 23.2-148.2 -74.6 108.7 -1.9 -6.0 6.4 232 137 B Q E +i 208 0C 36 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.718 24.0 172.8 -83.9 130.5 -0.7 -3.3 8.9 233 138 B E E -i 209 0C 75 -25,-2.9 -23,-2.2 -2,-0.5 2,-0.1 -0.809 36.1 -95.6-126.4 167.2 -2.4 -3.6 12.3 234 139 B D - 0 0 45 -2,-0.3 -23,-0.1 -25,-0.2 -1,-0.1 -0.333 25.4-132.8 -73.7 168.4 -1.9 -1.9 15.7 235 140 B G + 0 0 29 -26,-0.2 -1,-0.1 -2,-0.1 -26,-0.1 -0.023 50.8 149.8-109.4 29.1 0.3 -3.6 18.3 236 141 B I - 0 0 91 1,-0.1 2,-2.4 -24,-0.0 3,-0.2 -0.508 51.2-130.3 -71.4 124.0 -2.2 -3.0 21.1 237 142 B P + 0 0 46 0, 0.0 5,-0.2 0, 0.0 6,-0.2 -0.454 38.4 166.5 -78.4 69.2 -1.8 -5.9 23.5 238 143 B Y S S+ 0 0 168 -2,-2.4 -2,-0.0 2,-0.1 -3,-0.0 0.801 76.1 62.9 -52.5 -33.0 -5.5 -6.9 23.7 239 144 B N S > S- 0 0 89 -3,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.906 90.4-146.3 -86.3 117.4 -4.0 -10.0 25.3 240 145 B P T 3> S+ 0 0 96 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.622 92.3 71.2 -62.8 -10.5 -2.3 -8.5 28.4 241 146 B Q H 3> S+ 0 0 150 1,-0.2 4,-0.7 2,-0.1 -3,-0.1 0.202 80.7 74.9 -90.2 16.9 0.5 -11.1 28.1 242 147 B S H <> S+ 0 0 42 -3,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.809 89.3 54.8 -92.2 -38.9 1.9 -9.4 24.9 243 148 B Q H > S+ 0 0 94 -4,-0.4 4,-2.1 -3,-0.3 -2,-0.1 0.894 112.3 46.6 -52.2 -45.1 3.6 -6.5 26.8 244 149 B G H X S+ 0 0 26 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.872 107.5 52.8 -70.9 -42.6 5.4 -9.1 28.9 245 150 B V H X S+ 0 0 102 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.929 113.3 45.4 -62.1 -44.4 6.6 -11.4 26.1 246 151 B I H X S+ 0 0 44 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.923 112.3 50.1 -63.0 -52.1 8.2 -8.4 24.3 247 152 B E H X S+ 0 0 126 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 113.2 48.0 -50.0 -50.7 9.8 -7.0 27.5 248 153 B S H X S+ 0 0 68 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.848 110.1 51.5 -60.8 -39.9 11.2 -10.4 28.2 249 154 B M H X S+ 0 0 18 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.934 108.9 49.8 -68.2 -40.8 12.5 -10.8 24.7 250 155 B N H X S+ 0 0 22 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 112.6 48.9 -60.8 -38.8 14.3 -7.4 24.8 251 156 B K H X S+ 0 0 167 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.903 113.6 45.2 -63.4 -49.3 15.8 -8.5 28.1 252 157 B E H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.938 114.6 49.3 -59.8 -48.7 16.9 -11.9 26.7 253 158 B L H X S+ 0 0 2 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.914 111.4 47.5 -58.7 -46.3 18.3 -10.2 23.5 254 159 B K H X S+ 0 0 77 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.837 109.3 55.4 -69.8 -33.0 20.2 -7.6 25.4 255 160 B K H X S+ 0 0 141 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.959 109.7 45.5 -60.6 -51.7 21.6 -10.3 27.6 256 161 B I H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.941 109.4 54.6 -56.1 -48.0 22.9 -12.2 24.6 257 162 B I H X S+ 0 0 3 -4,-2.8 4,-1.2 1,-0.3 -1,-0.2 0.872 108.7 50.3 -55.2 -38.7 24.3 -9.1 23.1 258 163 B G H < S+ 0 0 53 -4,-1.8 4,-0.3 2,-0.2 -1,-0.3 0.891 107.6 53.1 -63.9 -39.2 26.2 -8.7 26.4 259 164 B Q H < S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.759 122.8 28.7 -67.9 -26.5 27.5 -12.3 26.2 260 165 B V H >< S+ 0 0 3 -4,-1.9 3,-2.9 -5,-0.2 -1,-0.2 0.466 88.7 107.7-104.7 -4.4 28.9 -11.6 22.7 261 166 B R G >< S+ 0 0 54 -4,-1.2 3,-0.8 1,-0.3 9,-0.1 0.744 78.3 51.3 -54.2 -35.0 29.7 -7.8 22.9 262 167 B D G 3 S+ 0 0 142 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.522 91.2 79.1 -77.4 -4.3 33.5 -8.2 23.0 263 168 B Q G < S+ 0 0 98 -3,-2.9 2,-0.3 1,-0.1 -1,-0.2 0.383 104.7 18.9 -86.9 9.4 33.5 -10.4 20.0 264 169 B A < - 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0 0 100 -4,-1.5 7,-0.6 -3,-0.4 2,-0.4 -0.354 63.1-133.0 -55.7 124.3 18.5 -22.1 20.9 282 187 B R B J 287 0D 153 5,-0.2 5,-0.2 -2,-0.1 4,-0.1 -0.696 360.0 360.0 -83.9 134.9 16.7 -25.4 21.6 283 188 B K 0 0 132 3,-1.2 3,-0.4 -2,-0.4 -1,-0.0 -0.908 360.0 360.0-117.2 360.0 13.8 -24.8 24.0 284 ! 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 80 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 89.1 13.3 -29.7 22.0 286 194 B Y - 0 0 123 -3,-0.4 -3,-1.2 -4,-0.1 2,-0.1 -0.669 360.0-128.4 -95.7 146.6 13.0 -27.5 18.8 287 195 B S B > -J 282 0D 9 -2,-0.3 4,-2.8 -5,-0.2 -5,-0.2 -0.396 29.0-105.8 -84.7 165.3 14.6 -24.1 18.0 288 196 B A H > S+ 0 0 1 -7,-0.6 4,-2.5 -10,-0.5 -110,-0.3 0.918 122.5 53.3 -52.3 -50.4 12.8 -20.9 16.8 289 197 B G H > S+ 0 0 21 -10,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.915 110.7 47.0 -53.3 -46.6 14.2 -21.5 13.3 290 198 B E H > S+ 0 0 40 -11,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.925 111.7 50.6 -57.9 -48.3 12.8 -25.0 13.3 291 199 B R H X S+ 0 0 72 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.920 108.3 50.1 -60.1 -47.4 9.4 -23.9 14.5 292 200 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.923 112.8 47.1 -61.4 -42.9 8.9 -21.1 11.9 293 201 B V H X S+ 0 0 4 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 0.939 114.8 47.0 -62.0 -48.4 9.8 -23.5 9.0 294 202 B D H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 113.3 49.1 -53.1 -52.8 7.5 -26.3 10.5 295 203 B I H X S+ 0 0 49 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.947 116.6 40.5 -57.6 -50.8 4.6 -23.7 11.0 296 204 B I H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.905 113.0 52.6 -70.8 -41.8 4.9 -22.3 7.5 297 205 B A H X S+ 0 0 6 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.930 108.0 53.1 -60.5 -41.2 5.4 -25.6 5.6 298 206 B T H < S+ 0 0 92 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.917 110.9 47.6 -57.9 -45.1 2.3 -27.1 7.4 299 207 B D H < S+ 0 0 106 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 106.8 55.0 -59.7 -47.4 0.4 -24.0 6.1 300 208 B I H < 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.948 360.0 360.0 -53.6 -49.2 1.7 -24.3 2.5 301 209 B Q < 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 -4,-0.0 -0.532 360.0 360.0 -75.6 360.0 0.5 -27.9 2.4