==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-FEB-12 4AHU . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR J.WIELENS,S.J.HEADY,D.I.RHODES,R.J.MULDER,O.DOLEZAL,J.J.DEAD . 306 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 42.8 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 0 5 1 0 0 0 2 0 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 56 A S 0 0 125 0, 0.0 4,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 16.9 1.6 23.9 -3.1 2 57 A S > - 0 0 59 1,-0.1 3,-1.5 2,-0.1 23,-0.4 -0.086 360.0-109.3 -62.1 154.8 1.7 23.3 0.6 3 58 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 0.672 116.2 54.8 -55.2 -23.3 -1.5 22.4 2.7 4 59 A G T 3 S+ 0 0 2 51,-0.1 53,-2.3 52,-0.0 52,-2.0 0.322 83.3 109.7 -97.3 9.2 -1.5 25.9 4.3 5 60 A I E < +a 57 0A 22 -3,-1.5 19,-1.7 51,-0.2 20,-0.4 -0.735 37.4 170.4-101.1 127.9 -1.5 28.0 1.2 6 61 A W E -aB 58 23A 0 51,-2.7 53,-3.0 -2,-0.5 2,-0.4 -0.856 19.3-147.8-126.4 157.7 -4.5 30.1 0.0 7 62 A Q E -aB 59 22A 32 15,-2.4 15,-3.0 -2,-0.3 2,-0.2 -0.996 11.9-139.1-126.5 132.9 -5.0 32.7 -2.7 8 63 A L E + B 0 21A 2 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.549 22.2 179.8 -84.7 149.0 -7.4 35.7 -2.5 9 64 A D E - B 0 20A 11 11,-2.3 11,-3.5 -2,-0.2 2,-0.5 -0.968 11.5-160.7-149.9 132.8 -9.3 36.6 -5.6 10 65 A C E + B 0 19A 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 15.7 176.8-121.7 127.9 -11.8 39.4 -6.0 11 66 A T E - B 0 18A 10 7,-3.1 7,-3.4 -2,-0.5 2,-0.3 -0.898 18.7-132.4-131.5 161.1 -14.3 39.3 -8.8 12 67 A H E + B 0 17A 107 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.872 27.3 157.9-120.5 141.3 -17.2 41.6 -9.9 13 68 A L E > S+ B 0 16A 48 3,-1.9 3,-3.1 -2,-0.3 -2,-0.0 -0.932 71.1 6.5-155.8 138.4 -20.8 40.9 -10.9 14 69 A E T 3 S- 0 0 100 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.909 128.0 -66.4 64.1 35.1 -24.1 43.0 -10.9 15 70 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.754 116.3 117.4 38.9 29.6 -21.7 45.8 -9.8 16 71 A K E < -B 13 0A 93 -3,-3.1 -3,-1.9 20,-0.0 2,-0.4 -0.722 65.3-119.1-115.3 170.9 -21.2 43.9 -6.5 17 72 A V E -BC 12 34A 11 17,-1.3 17,-2.3 -2,-0.2 2,-0.5 -0.911 18.0-164.0-114.9 132.7 -17.9 42.5 -5.3 18 73 A I E -BC 11 33A 5 -7,-3.4 -7,-3.1 -2,-0.4 2,-0.5 -0.975 8.7-157.5-118.1 123.9 -17.4 38.8 -4.6 19 74 A L E -BC 10 32A 0 13,-3.0 13,-2.3 -2,-0.5 2,-0.4 -0.896 13.4-172.0-103.6 126.9 -14.3 38.0 -2.5 20 75 A V E -BC 9 31A 0 -11,-3.5 -11,-2.3 -2,-0.5 2,-0.5 -0.970 17.7-161.9-121.2 139.4 -12.9 34.4 -2.9 21 76 A A E -BC 8 30A 0 9,-2.7 9,-1.8 -2,-0.4 2,-0.5 -0.985 16.8-162.8-113.0 126.9 -10.2 32.5 -1.0 22 77 A V E -BC 7 29A 11 -15,-3.0 -15,-2.4 -2,-0.5 2,-0.9 -0.919 20.4-136.2-112.5 125.8 -8.9 29.4 -2.9 23 78 A H E >>> -BC 6 28A 0 5,-3.1 4,-3.0 -2,-0.5 3,-0.7 -0.775 25.7-148.7 -73.8 107.4 -7.0 26.6 -1.2 24 79 A V T 345S+ 0 0 71 -19,-1.7 -1,-0.2 -2,-0.9 -18,-0.1 0.891 86.6 48.0 -58.0 -47.5 -4.4 26.4 -4.0 25 80 A A T 345S+ 0 0 33 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.791 125.4 27.1 -63.2 -29.6 -3.6 22.6 -3.8 26 81 A S T <45S- 0 0 3 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.695 92.5-126.8-106.1 -22.8 -7.2 21.5 -3.7 27 82 A G T <5 + 0 0 21 -4,-3.0 -3,-0.1 1,-0.3 113,-0.1 0.499 59.5 147.0 84.6 -0.5 -9.2 24.1 -5.6 28 83 A Y E < -C 23 0A 2 -5,-0.6 -5,-3.1 112,-0.3 2,-0.3 -0.498 27.8-168.7 -70.1 146.5 -11.6 24.3 -2.5 29 84 A I E -C 22 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.906 26.9-162.7-134.3 161.1 -13.0 27.8 -1.9 30 85 A E E +C 21 0A 9 -9,-1.8 -9,-2.7 -2,-0.3 2,-0.3 -0.958 25.6 178.8-128.2 157.5 -14.9 30.0 0.5 31 86 A A E -C 20 0A 1 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.988 14.8-169.8-157.3 155.3 -16.5 33.3 -0.7 32 87 A E E -C 19 0A 23 -13,-2.3 -13,-3.0 -2,-0.3 2,-0.5 -0.988 25.2-123.8-144.3 151.6 -18.6 36.2 0.3 33 88 A V E -C 18 0A 35 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.855 36.6-176.0 -89.8 131.0 -20.4 39.1 -1.3 34 89 A I E -C 17 0A 9 -17,-2.3 -17,-1.3 -2,-0.5 3,-0.1 -0.902 37.9-121.3-126.9 158.0 -19.2 42.4 0.1 35 90 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 93.2 -21.9 -66.7 -29.0 -20.3 46.0 -0.5 36 91 A A S S- 0 0 47 -20,-0.1 2,-1.5 -19,-0.1 5,-0.1 -0.955 75.2 -95.2-173.1 153.3 -16.7 47.0 -1.8 37 92 A E + 0 0 50 -2,-0.3 2,-0.2 -3,-0.1 -27,-0.0 -0.602 59.0 157.7 -87.4 94.3 -13.3 45.5 -1.3 38 93 A T > - 0 0 65 -2,-1.5 4,-2.2 1,-0.1 5,-0.2 -0.569 55.9-109.3-107.8 160.3 -11.8 47.5 1.6 39 94 A G H > S+ 0 0 20 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.904 120.0 54.8 -53.8 -43.9 -9.0 46.5 3.9 40 95 A Q H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 109.7 45.4 -58.8 -46.5 -11.5 46.1 6.7 41 96 A E H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 115.3 46.5 -60.7 -47.0 -13.7 43.7 4.7 42 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.924 112.7 51.2 -64.3 -41.9 -10.7 41.6 3.5 43 98 A A H X S+ 0 0 12 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.6 45.7 -56.5 -47.2 -9.3 41.6 7.0 44 99 A Y H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.887 112.1 52.4 -66.7 -42.5 -12.6 40.3 8.5 45 100 A F H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.938 110.3 48.1 -61.3 -42.6 -12.9 37.7 5.6 46 101 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.890 108.4 54.2 -64.4 -39.4 -9.3 36.4 6.4 47 102 A L H X S+ 0 0 9 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.930 110.8 46.5 -59.1 -46.9 -10.1 36.2 10.1 48 103 A K H >X S+ 0 0 19 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.948 112.2 50.0 -61.0 -48.0 -13.1 34.0 9.4 49 104 A L H >X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 3,-0.9 0.915 110.7 49.3 -55.2 -47.1 -11.2 31.8 7.0 50 105 A A H 3< S+ 0 0 1 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.721 104.7 57.1 -72.9 -16.5 -8.4 31.2 9.4 51 106 A G H << S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.704 115.3 40.9 -78.6 -17.0 -10.7 30.3 12.2 52 107 A R H << S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.748 123.9 20.1-102.3 -31.1 -12.1 27.6 9.9 53 108 A W S < S- 0 0 6 -4,-1.9 2,-1.7 -49,-0.0 -1,-0.2 -0.940 89.3 -96.6-137.5 158.7 -9.0 26.1 8.1 54 109 A P - 0 0 40 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.555 47.1-170.1 -84.6 86.9 -5.2 26.2 9.1 55 110 A V + 0 0 7 -2,-1.7 -50,-0.1 -5,-0.3 3,-0.1 -0.656 18.7 163.6 -82.9 116.1 -4.3 29.1 6.9 56 111 A K + 0 0 115 -52,-2.0 25,-3.4 -2,-0.7 2,-0.4 0.839 66.2 15.0 -98.5 -39.1 -0.4 29.5 6.9 57 112 A T E -ad 5 81A 15 -53,-2.3 -51,-2.7 23,-0.2 2,-0.5 -0.994 60.2-164.0-140.2 136.0 0.1 31.7 3.9 58 113 A V E -ad 6 82A 0 23,-2.4 25,-2.8 -2,-0.4 2,-0.8 -0.985 13.2-148.3-121.6 126.6 -2.2 33.9 1.9 59 114 A H E -ad 7 83A 43 -53,-3.0 -51,-2.9 -2,-0.5 25,-0.2 -0.817 30.5-134.2 -84.9 111.9 -1.4 35.3 -1.5 60 115 A T - 0 0 1 23,-2.4 3,-0.1 -2,-0.8 6,-0.0 -0.281 5.0-129.3 -69.9 156.4 -3.2 38.6 -1.5 61 116 A D S S+ 0 0 39 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.666 79.9 1.1 -85.5 -19.8 -5.2 39.6 -4.5 62 117 A N S > S- 0 0 56 -53,-0.1 4,-1.7 1,-0.0 5,-0.1 -0.961 75.1 -98.6-162.6 170.1 -3.8 43.1 -5.1 63 118 A G H > S+ 0 0 48 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.776 114.5 59.8 -71.3 -27.5 -1.3 45.6 -3.8 64 119 A S H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.9 41.0 -67.0 -47.2 -3.8 47.7 -1.8 65 120 A N H 4 S+ 0 0 4 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.8 53.7 -66.0 -34.7 -4.7 44.6 0.3 66 121 A F H < S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.4 38.8 -62.0 -42.5 -1.0 43.6 0.5 67 122 A T H < S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.837 88.6 116.1 -70.6 -39.6 -0.3 47.2 1.8 68 123 A S X - 0 0 21 -4,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.011 55.6-151.2 -43.1 125.8 -3.4 47.6 4.1 69 124 A T H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.879 99.7 54.3 -64.2 -37.0 -2.6 48.0 7.7 70 125 A T H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 109.6 46.5 -66.2 -40.5 -6.0 46.5 8.5 71 126 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 112.5 50.1 -66.6 -45.9 -5.2 43.4 6.4 72 127 A K H X S+ 0 0 85 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.865 108.7 53.8 -62.4 -35.6 -1.7 43.1 7.9 73 128 A A H X S+ 0 0 51 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.922 109.2 46.4 -68.1 -39.3 -3.2 43.3 11.4 74 129 A A H X S+ 0 0 16 -4,-2.0 4,-2.8 2,-0.2 6,-0.2 0.901 112.1 51.6 -69.9 -37.3 -5.7 40.5 10.7 75 130 A C H <>S+ 0 0 4 -4,-2.5 5,-2.7 2,-0.2 4,-0.4 0.934 111.5 46.8 -62.5 -44.6 -2.9 38.4 9.3 76 131 A W H ><5S+ 0 0 195 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.952 113.5 49.4 -54.7 -50.8 -0.8 39.1 12.4 77 132 A W H 3<5S+ 0 0 48 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.948 115.2 42.8 -58.5 -44.2 -3.8 38.2 14.7 78 133 A A T 3<5S- 0 0 6 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.364 112.2-112.6 -88.9 2.7 -4.5 35.0 12.9 79 134 A G T < 5 + 0 0 60 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.829 66.1 149.4 77.6 25.7 -0.9 33.7 12.5 80 135 A I < - 0 0 11 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.835 46.8-136.1-100.1 132.7 -1.0 34.1 8.7 81 136 A K E -d 57 0A 129 -25,-3.4 -23,-2.4 -2,-0.5 2,-0.5 -0.731 23.7-144.6 -83.5 119.5 2.0 35.0 6.5 82 137 A Q E +d 58 0A 32 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.725 26.3 172.2 -88.7 126.9 0.9 37.6 4.1 83 138 A E E -d 59 0A 49 -25,-2.8 -23,-2.4 -2,-0.5 2,-0.0 -0.848 35.8 -99.8-126.2 164.4 2.5 37.3 0.6 84 139 A D - 0 0 47 -2,-0.3 -23,-0.1 -25,-0.2 -1,-0.1 -0.252 24.4-134.9 -71.8 174.7 2.0 39.1 -2.8 85 140 A G + 0 0 30 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 -0.192 46.6 153.3-121.8 33.9 -0.1 37.2 -5.4 86 141 A I - 0 0 92 1,-0.1 2,-1.9 -24,-0.0 3,-0.2 -0.584 49.1-127.6 -67.5 126.1 2.3 37.9 -8.3 87 142 A P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.503 39.9 165.7 -79.7 83.2 1.9 35.1 -10.8 88 143 A Y S S+ 0 0 169 -2,-1.9 3,-0.1 1,-0.2 -2,-0.0 0.810 80.5 53.9 -65.5 -28.7 5.6 34.0 -11.2 89 144 A N S > S- 0 0 96 -3,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.940 86.8-155.6 -99.2 105.3 4.0 31.0 -12.7 90 145 A P T >> S+ 0 0 83 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.705 85.9 75.3 -61.9 -22.3 1.8 32.6 -15.4 91 146 A Q H 3> S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.686 84.7 73.1 -62.3 -18.7 -0.6 29.6 -15.6 92 147 A S H <> S+ 0 0 52 -3,-2.4 4,-2.5 2,-0.2 5,-0.2 0.940 91.4 51.0 -50.7 -58.6 -1.9 31.0 -12.2 93 148 A Q H <> S+ 0 0 100 -3,-0.7 4,-2.8 -4,-0.3 5,-0.2 0.946 111.3 49.7 -52.9 -44.3 -3.7 33.9 -13.7 94 149 A G H X S+ 0 0 34 -4,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.848 108.8 50.7 -60.9 -43.9 -5.4 31.5 -16.2 95 150 A V H X S+ 0 0 98 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.930 112.8 46.8 -62.4 -44.4 -6.6 29.1 -13.4 96 151 A I H X S+ 0 0 34 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.938 111.6 50.5 -65.7 -47.8 -8.1 32.0 -11.4 97 152 A E H X S+ 0 0 124 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.908 110.5 50.4 -57.4 -41.6 -9.9 33.6 -14.4 98 153 A S H X S+ 0 0 59 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.892 109.6 49.5 -64.5 -42.7 -11.4 30.2 -15.3 99 154 A M H X S+ 0 0 13 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.946 109.9 52.5 -62.1 -39.7 -12.7 29.7 -11.7 100 155 A N H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 111.2 46.7 -63.3 -41.0 -14.2 33.2 -11.9 101 156 A K H X S+ 0 0 143 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.884 113.8 47.7 -62.2 -42.2 -16.0 32.3 -15.1 102 157 A E H X S+ 0 0 55 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.938 111.7 50.1 -70.2 -44.8 -17.2 29.0 -13.7 103 158 A L H X S+ 0 0 9 -4,-3.5 4,-2.9 1,-0.2 -2,-0.2 0.943 111.4 48.6 -56.4 -47.5 -18.4 30.6 -10.5 104 159 A K H X S+ 0 0 73 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.862 108.6 54.1 -63.1 -30.1 -20.3 33.2 -12.5 105 160 A K H X S+ 0 0 147 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.5 47.2 -69.8 -46.8 -21.8 30.6 -14.7 106 161 A I H X S+ 0 0 12 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.944 108.3 55.5 -58.7 -45.3 -23.2 28.7 -11.6 107 162 A I H >< S+ 0 0 6 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.926 109.0 48.1 -53.6 -45.3 -24.5 32.0 -10.2 108 163 A G H >< S+ 0 0 49 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.902 106.4 57.6 -58.4 -42.8 -26.4 32.4 -13.5 109 164 A Q H 3< S+ 0 0 113 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.725 110.8 43.7 -61.3 -24.2 -27.7 28.8 -13.2 110 165 A V T XX S+ 0 0 4 -4,-1.3 3,-2.3 -3,-0.7 4,-2.0 0.293 78.0 104.5-103.7 10.4 -29.3 29.6 -9.8 111 166 A R T <4 S+ 0 0 77 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.674 76.4 59.5 -72.3 -12.8 -30.9 33.0 -10.5 112 167 A D T 34 S+ 0 0 137 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.490 115.8 37.2 -79.1 -5.4 -34.4 31.4 -10.6 113 168 A Q T <4 S+ 0 0 89 -3,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.747 106.0 61.0-117.5 -40.0 -33.8 30.3 -7.0 114 169 A A < - 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0 0 54 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.541 47.0-170.4 -82.3 82.8 -20.0 17.6 4.2 210 110 B V + 0 0 9 -2,-1.9 -50,-0.1 -5,-0.3 3,-0.1 -0.622 18.4 163.5 -81.1 113.1 -23.1 18.3 6.3 211 111 B K + 0 0 69 -52,-1.9 25,-3.2 -2,-0.7 2,-0.4 0.830 65.5 14.7 -96.2 -38.7 -25.2 15.2 6.4 212 112 B T E -fi 160 236C 20 -53,-2.3 -51,-2.9 23,-0.2 2,-0.5 -0.999 60.5-162.6-140.4 137.0 -27.5 15.8 9.3 213 113 B V E -fi 161 237C 1 23,-2.5 25,-2.8 -2,-0.4 2,-0.8 -0.976 12.0-149.7-117.8 125.3 -28.3 18.9 11.3 214 114 B H E -fi 162 238C 40 -53,-2.9 -51,-2.8 -2,-0.5 25,-0.2 -0.829 30.7-135.2 -85.8 110.5 -29.9 18.8 14.8 215 115 B T - 0 0 1 23,-2.6 3,-0.1 -2,-0.8 6,-0.0 -0.299 5.3-128.5 -70.1 158.5 -31.8 22.1 14.8 216 116 B D S S+ 0 0 40 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.654 80.4 3.3 -87.8 -16.1 -31.6 24.3 17.9 217 117 B N S > S- 0 0 57 -53,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.977 74.2-100.0-162.0 168.3 -35.4 24.8 18.4 218 118 B G H > S+ 0 0 49 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.745 114.4 59.7 -67.5 -29.2 -38.9 23.9 17.1 219 119 B S H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 110.9 40.7 -69.8 -42.4 -39.3 27.1 15.1 220 120 B N H 4 S+ 0 0 4 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 113.9 53.9 -69.5 -32.2 -36.3 26.4 13.0 221 121 B F H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.9 39.1 -64.5 -39.5 -37.3 22.7 12.8 222 122 B T H < S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.815 88.5 115.1 -75.3 -33.0 -40.7 23.9 11.5 223 123 B S X - 0 0 22 -4,-2.1 4,-2.6 1,-0.1 5,-0.1 -0.075 55.4-153.1 -50.8 127.6 -39.5 26.8 9.3 224 124 B T H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 98.6 55.8 -69.0 -29.9 -40.3 26.2 5.6 225 125 B T H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.9 45.2 -68.8 -38.0 -37.3 28.4 4.7 226 126 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.7 50.5 -67.3 -44.5 -35.0 26.2 6.9 227 127 B K H X S+ 0 0 87 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.875 109.0 53.8 -61.7 -37.8 -36.5 23.0 5.4 228 128 B A H X S+ 0 0 55 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.927 109.3 45.9 -62.1 -41.6 -35.9 24.5 1.9 229 129 B A H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 6,-0.2 0.898 112.5 51.3 -70.7 -36.5 -32.2 25.2 2.5 230 130 B C H <>S+ 0 0 3 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.935 112.2 46.4 -65.0 -41.7 -31.8 21.7 4.0 231 131 B W H ><5S+ 0 0 193 -4,-2.5 3,-1.4 3,-0.2 -2,-0.2 0.964 113.9 49.0 -60.2 -47.1 -33.5 20.2 0.9 232 132 B W H 3<5S+ 0 0 49 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.923 115.8 42.5 -63.2 -41.2 -31.3 22.3 -1.4 233 133 B A T 3<5S- 0 0 5 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.338 112.8-111.6 -91.4 4.7 -28.0 21.4 0.4 234 134 B G T < 5 + 0 0 60 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.808 66.3 149.7 75.4 26.7 -28.7 17.6 0.8 235 135 B I < - 0 0 12 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.819 47.0-136.4-101.6 135.6 -29.1 17.9 4.6 236 136 B K E -i 212 0C 130 -25,-3.2 -23,-2.5 -2,-0.5 2,-0.4 -0.745 23.8-146.6 -83.8 118.6 -31.3 15.7 6.8 237 137 B Q E +i 213 0C 32 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.706 25.5 172.5 -86.9 127.2 -33.0 18.1 9.2 238 138 B E E -i 214 0C 49 -25,-2.8 -23,-2.6 -2,-0.4 2,-0.0 -0.876 35.7 -98.6-124.8 168.4 -33.6 16.5 12.7 239 139 B D - 0 0 47 -2,-0.3 -23,-0.1 -25,-0.2 -1,-0.1 -0.208 24.6-134.8 -74.1 172.3 -34.8 17.8 16.0 240 140 B G + 0 0 28 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 -0.093 46.3 153.3-122.0 30.0 -32.2 18.7 18.7 241 141 B I - 0 0 95 1,-0.1 2,-1.9 -24,-0.0 3,-0.3 -0.478 49.0-128.4 -61.4 126.5 -34.0 16.9 21.6 242 142 B P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.503 40.2 164.8 -80.4 79.9 -31.3 15.9 24.1 243 143 B Y S S+ 0 0 173 -2,-1.9 3,-0.1 1,-0.2 -2,-0.0 0.833 80.3 52.6 -60.7 -29.6 -32.3 12.2 24.5 244 144 B N S > S- 0 0 94 -3,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.928 88.3-154.2-102.5 106.6 -28.9 11.9 26.0 245 145 B P T >> S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.681 84.7 77.0 -65.9 -20.3 -29.0 14.7 28.7 246 146 B Q H 3> S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.689 85.3 70.0 -58.6 -17.3 -25.3 15.3 28.8 247 147 B S H <> S+ 0 0 51 -3,-2.3 4,-2.4 2,-0.2 5,-0.3 0.916 90.3 55.6 -59.5 -55.6 -25.9 17.3 25.5 248 148 B Q H <> S+ 0 0 97 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.2 0.929 112.5 46.7 -41.4 -48.5 -27.8 20.1 27.2 249 149 B G H X S+ 0 0 30 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.853 107.7 50.9 -71.3 -46.5 -24.6 20.4 29.3 250 150 B V H X S+ 0 0 100 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.922 112.7 48.9 -56.3 -43.9 -21.9 20.3 26.6 251 151 B I H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.0 49.5 -68.1 -41.0 -23.7 23.0 24.6 252 152 B E H X S+ 0 0 126 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.918 110.8 49.4 -64.6 -44.5 -24.1 25.3 27.7 253 153 B S H X S+ 0 0 80 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 110.0 52.2 -59.3 -42.1 -20.4 24.9 28.6 254 154 B M H X S+ 0 0 19 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.960 108.6 49.9 -61.0 -39.4 -19.5 25.8 25.0 255 155 B N H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 111.4 49.3 -65.3 -39.8 -21.6 28.9 25.1 256 156 B K H X S+ 0 0 163 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.929 112.1 47.9 -60.6 -44.1 -20.0 29.9 28.4 257 157 B E H X S+ 0 0 53 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 112.4 49.5 -63.7 -47.7 -16.4 29.3 26.9 258 158 B L H X S+ 0 0 7 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.938 111.7 47.8 -61.3 -42.9 -17.3 31.3 23.8 259 159 B K H X S+ 0 0 72 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.862 109.1 54.0 -67.9 -27.4 -18.6 34.2 25.8 260 160 B K H X S+ 0 0 143 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 109.7 46.6 -69.7 -44.0 -15.6 34.2 27.9 261 161 B I H X S+ 0 0 7 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.935 108.7 56.6 -63.0 -42.8 -13.3 34.4 24.9 262 162 B I H >< S+ 0 0 4 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.927 108.6 46.7 -54.1 -46.9 -15.5 37.2 23.5 263 163 B G H >< S+ 0 0 48 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.897 106.9 58.5 -62.9 -35.6 -14.9 39.2 26.7 264 164 B Q H 3< S+ 0 0 112 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.721 109.5 44.1 -67.1 -20.0 -11.1 38.4 26.5 265 165 B V T XX S+ 0 0 4 -4,-1.2 4,-2.2 -3,-0.8 3,-2.1 0.254 79.1 105.8-105.9 15.3 -11.0 40.2 23.1 266 166 B R T <4 S+ 0 0 76 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.753 74.8 58.5 -70.1 -21.3 -13.0 43.2 23.9 267 167 B D T 34 S+ 0 0 137 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.506 116.8 37.1 -75.6 -5.1 -10.0 45.5 24.0 268 168 B Q T <4 S+ 0 0 88 -3,-2.1 2,-0.6 1,-0.2 -2,-0.2 0.717 105.4 62.2-119.7 -38.8 -9.3 44.4 20.3 269 169 B A < - 0 0 4 -4,-2.2 -1,-0.2 -7,-0.2 -4,-0.0 -0.864 51.4-170.6-103.3 124.5 -12.5 44.0 18.5 270 170 B E S S+ 0 0 163 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.825 76.6 48.6 -76.2 -39.4 -14.8 47.1 18.0 271 171 B H S >> S- 0 0 106 1,-0.1 4,-1.5 0, 0.0 3,-0.5 -0.827 82.1-127.9-105.4 146.8 -17.8 45.1 16.6 272 172 B L H 3> S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 106.5 64.0 -57.6 -38.3 -19.2 42.0 18.2 273 173 B K H 3> S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 103.3 48.2 -62.0 -31.8 -19.0 40.1 14.8 274 174 B T H <> S+ 0 0 35 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.932 110.7 50.1 -65.4 -43.4 -15.1 40.4 14.9 275 175 B A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.881 109.2 53.0 -64.7 -39.7 -14.9 39.2 18.5 276 176 B V H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.934 110.0 46.9 -64.4 -41.6 -17.2 36.2 17.6 277 177 B Q H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.834 110.7 52.0 -69.7 -36.3 -14.8 35.2 14.7 278 178 B M H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.882 110.0 50.6 -59.4 -41.2 -11.8 35.6 17.0 279 179 B A H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.893 108.9 50.1 -61.5 -40.1 -13.6 33.3 19.5 280 180 B V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.929 111.8 49.8 -61.2 -48.0 -14.3 30.7 16.7 281 181 B F H X S+ 0 0 29 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.959 114.7 41.4 -54.8 -56.5 -10.6 30.9 15.8 282 182 B I H X S+ 0 0 53 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.918 115.4 52.3 -63.1 -38.2 -9.3 30.4 19.4 283 183 B H H >< S+ 0 0 26 -4,-3.1 3,-0.6 1,-0.2 11,-0.5 0.943 113.7 42.8 -60.3 -47.2 -12.1 27.6 20.1 284 184 B N H 3< S+ 0 0 3 -4,-2.7 11,-2.3 1,-0.2 12,-0.4 0.728 117.0 45.5 -78.3 -23.0 -11.1 25.6 17.0 285 185 B H H 3< S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.556 83.7 117.1 -92.0 -12.5 -7.3 25.9 17.5 286 186 B K << - 0 0 123 -4,-1.0 8,-0.5 -3,-0.6 2,-0.4 -0.395 62.6-134.7 -62.2 127.5 -7.3 25.1 21.3 287 187 B R B J 293 0D 149 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.677 360.0 360.0 -83.2 132.0 -5.4 21.9 22.1 288 188 B K 0 0 172 4,-1.7 3,-0.4 -2,-0.4 4,-0.4 -0.874 360.0 360.0-107.3 360.0 -7.3 19.7 24.5 289 ! 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 0.0 290 192 B G 0 0 93 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -50.3 -3.7 14.2 22.2 291 193 B G + 0 0 34 -3,-0.4 2,-0.2 1,-0.2 -4,-0.0 0.392 360.0 158.7 -81.2 109.8 -3.6 17.1 22.7 292 194 B Y - 0 0 115 -4,-0.4 -4,-1.7 -5,-0.1 -1,-0.2 -0.617 35.6-125.9 -84.1 152.6 -5.4 17.6 19.3 293 195 B S B > -J 287 0D 9 -6,-0.2 4,-2.2 -2,-0.2 -6,-0.2 -0.515 25.6-110.7 -86.4 165.9 -7.5 20.7 18.4 294 196 B A H > S+ 0 0 1 -8,-0.5 4,-2.5 -11,-0.5 -111,-0.3 0.872 121.3 56.5 -54.5 -39.2 -11.1 20.6 17.3 295 197 B G H > S+ 0 0 21 -11,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.892 109.0 45.9 -60.8 -44.8 -9.8 21.7 13.8 296 198 B E H > S+ 0 0 33 -12,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.890 112.6 49.9 -65.8 -40.7 -7.5 18.7 13.7 297 199 B R H X S+ 0 0 63 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.887 107.9 50.7 -69.3 -41.3 -10.1 16.3 14.8 298 200 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.941 113.1 46.8 -66.9 -40.8 -12.8 17.3 12.4 299 201 B V H X S+ 0 0 4 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.947 114.4 47.3 -62.6 -44.6 -10.3 17.0 9.5 300 202 B D H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.930 112.8 49.9 -62.6 -44.0 -9.1 13.6 10.8 301 203 B I H X S+ 0 0 41 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.947 115.2 40.9 -63.0 -43.3 -12.6 12.3 11.3 302 204 B I H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.899 115.5 50.8 -76.3 -37.6 -13.8 13.3 7.8 303 205 B A H X S+ 0 0 16 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.934 110.2 49.4 -64.2 -42.5 -10.6 12.2 6.0 304 206 B T H X S+ 0 0 70 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.929 112.2 49.8 -63.7 -41.6 -10.8 8.8 7.7 305 207 B D H X S+ 0 0 36 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.900 109.3 49.8 -61.0 -46.5 -14.5 8.5 6.6 306 208 B I H >< S+ 0 0 43 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.947 112.2 49.8 -59.0 -44.2 -13.6 9.4 3.0 307 209 B Q H 3< S+ 0 0 174 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.754 106.1 55.2 -67.2 -27.3 -10.8 6.7 3.1 308 210 B T H 3< 0 0 102 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.804 360.0 360.0 -72.9 -26.7 -13.2 4.0 4.5 309 211 B K << 0 0 173 -4,-1.2 0, 0.0 -3,-0.6 0, 0.0 -0.478 360.0 360.0 -95.8 360.0 -15.7 4.4 1.7