==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-12 3ZCM . COMPND 2 MOLECULE: HIV INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.S.PEAT . 298 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 75.5 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 43.6 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 0 2 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 . 1 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 90 0, 0.0 3,-1.4 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -37.3 -21.5 10.7 -1.1 2 58 A P T 3 + 0 0 31 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.779 360.0 46.1 -56.7 -24.1 -18.8 12.5 -3.2 3 59 A G T 3 S+ 0 0 6 51,-0.1 53,-2.2 52,-0.0 52,-1.6 0.309 88.0 110.7-100.7 8.1 -21.7 14.4 -4.9 4 60 A I E < +a 56 0A 45 -3,-1.4 19,-1.5 51,-0.2 20,-0.4 -0.740 38.6 172.3 -98.1 125.7 -23.8 15.4 -1.8 5 61 A W E -aB 57 22A 1 51,-2.6 53,-2.7 -2,-0.5 2,-0.4 -0.909 19.1-147.2-125.6 158.7 -24.0 19.0 -0.6 6 62 A Q E -aB 58 21A 31 15,-2.6 15,-3.3 -2,-0.3 2,-0.2 -0.983 12.7-139.1-128.6 129.7 -26.1 20.7 2.1 7 63 A L E - B 0 20A 2 51,-2.6 2,-0.3 -2,-0.4 13,-0.2 -0.589 21.6-177.5 -87.2 149.8 -27.4 24.2 1.9 8 64 A D E - B 0 19A 8 11,-2.4 11,-3.3 -2,-0.2 2,-0.5 -0.990 11.7-159.5-149.5 135.5 -27.3 26.5 5.0 9 65 A C E + B 0 18A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.977 17.4 170.6-121.7 128.8 -28.6 30.1 5.5 10 66 A T E - B 0 17A 11 7,-2.4 7,-3.2 -2,-0.5 2,-0.3 -0.876 22.5-128.9-132.2 166.3 -27.2 32.2 8.4 11 67 A H E + B 0 16A 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.934 27.8 158.6-124.8 141.7 -27.6 35.9 9.2 12 68 A L E > + B 0 15A 48 3,-2.0 3,-2.3 -2,-0.3 -2,-0.0 -0.920 67.9 0.8-155.1 140.8 -25.2 38.8 10.0 13 69 A E T 3 S- 0 0 92 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.812 127.5 -57.8 54.9 30.4 -25.3 42.6 9.9 14 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.627 120.0 101.1 77.5 13.9 -28.9 42.5 8.7 15 71 A K E < S-B 12 0A 86 -3,-2.3 -3,-2.0 20,-0.0 2,-0.4 -0.740 70.9-113.8-125.2 174.8 -27.9 40.4 5.6 16 72 A V E -BC 11 33A 7 17,-2.3 17,-2.6 -2,-0.2 2,-0.6 -0.892 14.5-159.3-111.8 134.9 -28.1 36.7 4.7 17 73 A I E -BC 10 32A 4 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.5 -0.968 11.6-158.7-113.9 118.8 -25.1 34.5 4.1 18 74 A L E -BC 9 31A 0 13,-2.6 13,-2.2 -2,-0.6 2,-0.4 -0.854 13.5-172.0 -97.1 127.5 -26.0 31.5 2.0 19 75 A V E -BC 8 30A 0 -11,-3.3 -11,-2.4 -2,-0.5 2,-0.5 -0.943 17.2-161.0-123.0 136.3 -23.5 28.5 2.4 20 76 A A E -BC 7 29A 0 9,-2.9 9,-1.7 -2,-0.4 2,-0.5 -0.986 15.8-162.8-110.0 127.4 -23.2 25.2 0.5 21 77 A V E -BC 6 28A 12 -15,-3.3 -15,-2.6 -2,-0.5 2,-0.9 -0.897 19.7-136.7-111.2 133.5 -21.3 22.6 2.4 22 78 A H E >>> -BC 5 27A 0 5,-3.2 4,-2.9 -2,-0.5 3,-1.0 -0.764 24.3-150.3 -81.5 110.9 -19.8 19.5 0.8 23 79 A V T 345S+ 0 0 85 -19,-1.5 -1,-0.2 -2,-0.9 -18,-0.1 0.849 85.9 49.8 -61.8 -44.5 -20.8 17.0 3.5 24 80 A A T 345S+ 0 0 48 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.740 126.8 24.4 -65.5 -27.7 -18.0 14.4 3.2 25 81 A S T <45S- 0 0 5 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.681 93.0-126.2-110.6 -21.9 -15.2 17.0 3.3 26 82 A G T <5 + 0 0 22 -4,-2.9 -3,-0.2 1,-0.3 111,-0.1 0.487 57.4 150.0 78.6 5.1 -16.6 20.1 5.1 27 83 A Y E < -C 22 0A 2 -5,-0.5 -5,-3.2 110,-0.3 2,-0.3 -0.444 27.4-163.1 -68.8 146.0 -15.5 22.2 2.1 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.903 26.0-166.4-132.7 155.3 -17.8 25.3 1.6 29 85 A E E +C 20 0A 9 -9,-1.7 -9,-2.9 -2,-0.3 2,-0.3 -0.963 26.3 176.5-123.3 149.5 -18.8 28.0 -1.0 30 86 A A E -C 19 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.993 14.8-172.2-150.9 160.6 -20.7 31.0 0.4 31 87 A E E -C 18 0A 19 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.4 -0.981 24.4-123.3-148.3 154.9 -22.2 34.3 -0.8 32 88 A V E +C 17 0A 31 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.880 33.8 171.3 -96.1 137.3 -23.9 37.4 0.8 33 89 A I E -C 16 0A 7 -17,-2.6 -17,-2.3 -2,-0.4 3,-0.1 -0.915 42.1-119.8-140.4 156.5 -27.5 38.2 -0.5 34 90 A P S S- 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.910 94.8 -7.0 -74.2 -27.3 -29.9 40.8 0.9 35 91 A A S S- 0 0 50 -20,-0.1 2,-0.7 -19,-0.1 5,-0.1 -0.985 78.1-101.6-160.4 153.9 -32.6 38.1 1.6 36 92 A E + 0 0 48 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.713 52.1 162.6 -84.7 110.6 -33.0 34.4 0.8 37 93 A T > - 0 0 66 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.840 52.2-109.4-117.9 170.4 -35.3 34.2 -2.2 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.921 120.3 52.3 -65.8 -43.8 -35.9 31.2 -4.6 39 95 A Q H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 110.8 45.5 -60.2 -44.3 -34.1 33.2 -7.4 40 96 A E H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 115.9 46.7 -64.9 -42.5 -31.0 33.9 -5.2 41 97 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.909 112.8 49.3 -66.2 -40.4 -30.9 30.2 -4.0 42 98 A A H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.926 112.0 48.9 -63.8 -43.0 -31.4 28.9 -7.6 43 99 A Y H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 110.1 51.3 -64.7 -43.1 -28.6 31.2 -8.9 44 100 A F H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 110.7 47.7 -58.7 -44.4 -26.3 30.1 -6.2 45 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.868 108.8 55.0 -66.4 -35.2 -26.9 26.4 -7.0 46 102 A L H X S+ 0 0 10 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.932 110.9 45.8 -59.6 -45.2 -26.3 27.0 -10.7 47 103 A K H X S+ 0 0 40 -4,-2.3 4,-0.8 1,-0.2 3,-0.4 0.950 113.5 48.4 -61.3 -50.6 -22.9 28.5 -9.8 48 104 A L H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-0.8 0.875 110.2 50.4 -57.0 -46.5 -22.0 25.7 -7.5 49 105 A A H 3< S+ 0 0 1 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.729 105.5 56.0 -75.4 -18.4 -23.0 22.9 -9.9 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.697 115.6 40.1 -79.4 -15.2 -20.9 24.5 -12.8 51 107 A R H << S+ 0 0 21 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.1 0.732 124.4 23.5-101.9 -34.0 -17.8 24.4 -10.4 52 108 A W S < S- 0 0 5 -4,-2.1 2,-1.9 -49,-0.0 -1,-0.2 -0.946 88.9 -98.8-133.5 157.8 -18.2 21.0 -8.7 53 109 A P - 0 0 62 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.517 46.8-171.9 -82.7 81.1 -20.0 17.7 -9.6 54 110 A V + 0 0 11 -2,-1.9 -50,-0.1 -5,-0.3 3,-0.1 -0.647 18.3 163.3 -81.0 108.6 -23.1 18.4 -7.5 55 111 A K + 0 0 139 -52,-1.6 25,-2.9 -2,-0.7 2,-0.4 0.844 66.2 17.0 -90.2 -44.0 -25.3 15.2 -7.5 56 112 A T E -ad 4 80A 7 -53,-2.2 -51,-2.6 23,-0.2 2,-0.5 -0.998 59.4-164.2-134.0 137.1 -27.6 15.9 -4.6 57 113 A V E -ad 5 81A 0 23,-2.6 25,-2.8 -2,-0.4 2,-0.7 -0.991 11.7-150.9-123.4 125.3 -28.5 19.0 -2.6 58 114 A H E -ad 6 82A 43 -53,-2.7 -51,-2.6 -2,-0.5 25,-0.2 -0.836 30.6-133.0 -84.1 110.5 -30.2 18.9 0.8 59 115 A T - 0 0 1 23,-2.7 3,-0.1 -2,-0.7 6,-0.0 -0.303 4.7-127.6 -71.8 158.3 -32.1 22.1 0.8 60 116 A D S S- 0 0 38 1,-0.1 2,-0.3 -54,-0.1 -51,-0.2 0.656 80.3 -2.1 -83.8 -20.6 -31.9 24.4 3.9 61 117 A N S > S- 0 0 62 -53,-0.1 4,-1.9 1,-0.0 5,-0.1 -0.966 76.0 -95.4-160.5 174.7 -35.7 24.9 4.5 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.775 116.2 61.0 -75.3 -24.2 -39.1 24.0 3.2 63 119 A S H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 110.3 41.2 -67.3 -46.0 -39.4 27.3 1.2 64 120 A N H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.799 114.0 53.5 -69.7 -33.1 -36.3 26.5 -0.9 65 121 A F H < S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 117.0 38.1 -64.7 -38.9 -37.5 22.8 -1.1 66 122 A T H < S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.841 87.6 114.2 -77.9 -34.6 -40.9 24.0 -2.5 67 123 A S X - 0 0 23 -4,-2.2 4,-2.3 1,-0.1 5,-0.2 -0.018 56.6-152.2 -50.2 127.5 -39.7 26.9 -4.7 68 124 A T H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.851 96.6 55.7 -75.5 -21.7 -40.4 26.2 -8.3 69 125 A T H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 107.9 46.9 -71.2 -43.4 -37.4 28.3 -9.3 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 113.3 50.1 -60.8 -44.2 -35.0 26.3 -7.1 71 127 A K H X S+ 0 0 85 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.910 109.9 51.6 -61.3 -38.6 -36.6 23.1 -8.6 72 128 A A H X S+ 0 0 53 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.893 109.8 47.4 -65.7 -41.3 -36.0 24.5 -12.1 73 129 A A H X S+ 0 0 15 -4,-2.3 4,-3.0 2,-0.2 6,-0.2 0.919 111.5 51.1 -68.2 -35.2 -32.3 25.3 -11.5 74 130 A C H X>S+ 0 0 3 -4,-2.4 5,-2.7 1,-0.2 4,-0.7 0.955 112.2 47.7 -69.7 -36.6 -31.8 21.8 -10.0 75 131 A W H ><5S+ 0 0 194 -4,-2.8 3,-1.2 3,-0.2 -1,-0.2 0.951 113.2 48.2 -60.7 -50.9 -33.5 20.4 -13.2 76 132 A W H 3<5S+ 0 0 47 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.950 117.6 40.3 -57.0 -46.3 -31.2 22.6 -15.4 77 133 A A H 3<5S- 0 0 6 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.406 112.9-112.2 -89.4 3.0 -28.0 21.6 -13.6 78 134 A G T <<5 + 0 0 61 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.2 0.838 64.9 149.2 75.5 27.4 -28.8 17.9 -13.1 79 135 A I < - 0 0 13 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.850 47.7-134.2-100.9 135.0 -29.1 18.1 -9.3 80 136 A K E -d 56 0A 138 -25,-2.9 -23,-2.6 -2,-0.4 2,-0.5 -0.761 25.4-145.8 -82.5 116.8 -31.4 15.9 -7.3 81 137 A Q E +d 57 0A 32 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.743 25.7 173.8 -87.9 124.0 -33.2 18.3 -4.9 82 138 A E E -d 58 0A 58 -25,-2.8 -23,-2.7 -2,-0.5 -26,-0.0 -0.824 33.1-102.4-128.0 167.7 -33.9 16.7 -1.5 83 139 A D - 0 0 47 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.118 24.9-130.7 -83.1-171.5 -35.2 17.9 1.8 84 140 A G + 0 0 31 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 0.111 44.7 154.4-132.2 24.3 -32.8 18.6 4.7 85 141 A I - 0 0 97 1,-0.1 2,-1.9 2,-0.1 3,-0.3 -0.285 47.9-129.1 -55.9 128.4 -34.6 16.7 7.4 86 142 A P + 0 0 48 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.447 40.8 164.6 -86.4 70.8 -31.8 15.8 10.0 87 143 A Y S S+ 0 0 183 -2,-1.9 3,-0.1 1,-0.2 -2,-0.1 0.808 77.3 58.0 -52.8 -31.1 -32.6 12.0 10.2 88 144 A N S > S- 0 0 91 -3,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.922 85.3-154.3 -94.9 111.6 -29.2 12.0 11.7 89 145 A P T >> S+ 0 0 89 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.778 90.2 72.4 -61.9 -24.0 -29.6 14.3 14.7 90 146 A Q H 3> S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.759 84.6 70.6 -56.9 -25.5 -25.8 15.0 14.5 91 147 A S H <> S+ 0 0 50 -3,-2.4 4,-2.1 2,-0.2 5,-0.2 0.909 94.2 52.3 -57.9 -50.2 -26.5 17.0 11.2 92 148 A Q H <> S+ 0 0 109 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.952 112.1 45.4 -44.1 -57.8 -28.2 19.9 13.2 93 149 A G H X S+ 0 0 30 -4,-1.0 4,-2.8 1,-0.2 5,-0.2 0.856 110.1 53.3 -61.3 -42.6 -25.2 20.2 15.5 94 150 A V H X S+ 0 0 92 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.917 111.8 45.3 -62.2 -42.7 -22.6 20.1 12.7 95 151 A I H X S+ 0 0 38 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.926 113.2 50.0 -69.2 -46.2 -24.3 23.0 10.8 96 152 A E H X S+ 0 0 131 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 112.3 48.2 -54.5 -46.2 -24.8 25.1 14.0 97 153 A S H X S+ 0 0 81 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.879 110.4 51.8 -65.0 -40.7 -21.1 24.6 14.8 98 154 A M H X S+ 0 0 15 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.930 109.0 49.8 -61.4 -40.3 -20.1 25.5 11.3 99 155 A N H X S+ 0 0 25 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.917 111.7 48.6 -66.2 -38.5 -22.1 28.7 11.4 100 156 A K H X S+ 0 0 165 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.925 112.2 48.0 -67.3 -42.9 -20.5 29.6 14.7 101 157 A E H X S+ 0 0 58 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.914 113.0 49.6 -56.3 -48.8 -16.9 28.9 13.3 102 158 A L H X S+ 0 0 7 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.945 110.9 47.7 -62.4 -44.3 -17.7 31.0 10.2 103 159 A K H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.859 110.3 53.8 -64.7 -32.5 -19.0 33.9 12.2 104 160 A K H X S+ 0 0 146 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.926 111.1 45.4 -62.6 -47.4 -15.9 33.7 14.5 105 161 A I H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 5,-0.3 0.942 109.7 54.8 -61.8 -46.0 -13.7 33.9 11.4 106 162 A I H X S+ 0 0 5 -4,-3.1 4,-1.2 1,-0.2 3,-0.4 0.923 108.2 49.1 -54.8 -45.4 -15.7 36.7 9.9 107 163 A G H < S+ 0 0 53 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.905 107.6 56.0 -59.5 -34.0 -15.2 38.7 13.2 108 164 A Q H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.764 121.1 28.3 -71.1 -25.8 -11.4 38.0 13.0 109 165 A V H >< S+ 0 0 4 -4,-1.7 3,-2.8 -3,-0.4 -1,-0.2 0.444 89.8 106.2-107.2 -1.8 -11.2 39.5 9.5 110 166 A R G >< S+ 0 0 57 -4,-1.2 3,-1.0 1,-0.3 9,-0.1 0.773 76.4 52.7 -58.6 -31.6 -14.0 42.0 9.7 111 167 A D G 3 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.437 93.7 75.9 -82.5 1.5 -11.9 45.2 10.0 112 168 A Q G < S+ 0 0 91 -3,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.383 103.7 28.3 -92.4 7.3 -9.9 44.2 6.8 113 169 A A < - 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0 0 23 -4,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.015 56.1-152.7 -51.0 126.7 -3.5 47.8 -9.5 219 124 B T H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.847 96.0 56.4 -71.6 -25.4 -2.5 48.0 -5.9 220 125 B T H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 108.9 45.8 -68.7 -40.8 -5.9 46.5 -4.9 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.928 112.6 50.7 -66.0 -40.9 -5.3 43.5 -7.0 222 127 B K H X S+ 0 0 85 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.908 110.6 51.1 -64.3 -36.2 -1.7 43.2 -5.6 223 128 B A H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.880 109.3 48.5 -65.7 -43.6 -3.3 43.4 -2.1 224 129 B A H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.891 111.6 50.3 -63.5 -40.3 -5.7 40.6 -2.8 225 130 B C H X>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 4,-0.5 0.946 111.7 48.3 -66.4 -38.1 -2.9 38.5 -4.2 226 131 B W H ><5S+ 0 0 197 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.958 113.1 47.9 -57.4 -51.3 -0.9 39.2 -1.1 227 132 B W H 3<5S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.949 117.7 40.7 -57.1 -48.1 -3.9 38.3 1.2 228 133 B A H 3<5S- 0 0 6 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.380 112.9-113.6 -86.5 5.2 -4.7 35.1 -0.7 229 134 B G T <<5 + 0 0 58 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.838 63.7 149.4 67.3 33.6 -1.1 33.9 -1.1 230 135 B I < - 0 0 12 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.856 48.4-132.2-105.0 137.0 -1.1 34.2 -4.9 231 136 B K E -i 207 0C 122 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.5 -0.761 26.3-146.7 -79.4 114.0 2.0 35.1 -7.0 232 137 B Q E +i 208 0C 35 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.759 25.3 173.8 -90.9 123.5 0.8 37.8 -9.3 233 138 B E E -i 209 0C 76 -25,-2.8 -23,-2.5 -2,-0.5 -26,-0.0 -0.811 33.3-101.8-124.3 167.7 2.4 37.7 -12.7 234 139 B D - 0 0 50 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.167 25.7-130.6 -80.9-174.9 2.1 39.5 -16.0 235 140 B G + 0 0 31 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 0.023 45.4 154.6-127.7 24.7 0.2 37.7 -18.9 236 141 B I - 0 0 91 1,-0.1 2,-1.8 -24,-0.0 3,-0.3 -0.331 47.2-130.5 -57.7 130.7 2.8 38.3 -21.6 237 142 B P + 0 0 52 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.406 40.6 163.8 -88.4 64.0 2.2 35.4 -24.2 238 143 B Y S S+ 0 0 180 -2,-1.8 3,-0.1 1,-0.2 -2,-0.0 0.812 77.1 57.8 -48.9 -34.2 5.9 34.3 -24.4 239 144 B N S > S- 0 0 90 -3,-0.3 3,-2.6 1,-0.1 4,-0.4 -0.899 86.0-154.4 -90.6 108.0 4.3 31.2 -25.9 240 145 B P T >> S+ 0 0 87 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.764 88.5 73.6 -57.0 -25.5 2.4 32.8 -28.9 241 146 B Q H 3> S+ 0 0 150 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.739 83.6 71.7 -59.9 -20.1 -0.1 29.8 -28.8 242 147 B S H <> S+ 0 0 49 -3,-2.6 4,-2.5 2,-0.2 5,-0.2 0.917 92.3 52.0 -60.1 -50.5 -1.6 31.5 -25.5 243 148 B Q H <> S+ 0 0 102 -3,-0.6 4,-2.5 -4,-0.4 5,-0.2 0.933 112.9 47.8 -48.3 -48.7 -3.3 34.4 -27.4 244 149 B G H X S+ 0 0 30 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.870 108.9 51.1 -63.5 -44.1 -4.9 31.9 -29.7 245 150 B V H X S+ 0 0 97 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.933 113.9 45.1 -63.8 -43.0 -6.1 29.6 -26.8 246 151 B I H X S+ 0 0 38 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.898 112.9 49.4 -68.2 -44.8 -7.7 32.5 -25.0 247 152 B E H X S+ 0 0 125 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.933 112.8 49.2 -58.6 -44.7 -9.4 34.0 -28.3 248 153 B S H X S+ 0 0 68 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.927 110.5 50.7 -64.7 -44.0 -10.7 30.5 -29.0 249 154 B M H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.918 109.6 49.5 -58.5 -42.5 -12.1 30.2 -25.4 250 155 B N H X S+ 0 0 24 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.890 112.0 48.4 -66.1 -37.3 -13.8 33.5 -25.7 251 156 B K H X S+ 0 0 164 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.925 112.8 47.6 -65.3 -44.6 -15.4 32.6 -29.0 252 157 B E H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 113.1 49.3 -59.1 -47.8 -16.6 29.1 -27.6 253 158 B L H X S+ 0 0 9 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.941 111.2 48.1 -62.1 -43.0 -18.0 30.8 -24.4 254 159 B K H X S+ 0 0 77 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.871 109.7 54.0 -64.6 -33.4 -19.9 33.4 -26.5 255 160 B K H X S+ 0 0 143 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 45.3 -59.6 -52.4 -21.2 30.6 -28.7 256 161 B I H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 0.917 109.3 54.5 -61.0 -47.2 -22.5 28.8 -25.6 257 162 B I H X S+ 0 0 5 -4,-3.1 4,-1.2 1,-0.2 3,-0.4 0.917 109.1 48.7 -53.5 -43.7 -24.0 32.0 -24.1 258 163 B G H < S+ 0 0 53 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.915 107.4 56.1 -65.5 -31.5 -26.0 32.5 -27.4 259 164 B Q H < S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 121.4 28.3 -69.0 -27.2 -27.2 28.9 -27.3 260 165 B V H >< S+ 0 0 4 -4,-1.7 3,-2.8 -3,-0.4 -1,-0.2 0.443 89.6 106.7-105.7 -2.1 -28.6 29.4 -23.8 261 166 B R G >< S+ 0 0 53 -4,-1.2 3,-1.1 -3,-0.3 9,-0.1 0.780 76.0 53.1 -59.7 -30.5 -29.4 33.1 -23.9 262 167 B D G 3 S+ 0 0 145 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.485 93.3 75.8 -81.0 -1.2 -33.2 32.8 -24.2 263 168 B Q G < S+ 0 0 92 -3,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.374 103.5 28.0 -89.9 6.0 -33.3 30.6 -21.1 264 169 B A < - 0 0 23 -3,-1.1 -1,-0.1 -4,-0.2 6,-0.0 -0.969 63.6-138.5-160.8 151.6 -32.7 33.6 -18.7 265 170 B E S S+ 0 0 159 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.896 87.4 64.7 -75.7 -47.5 -33.4 37.3 -18.6 266 171 B H S >> S- 0 0 87 1,-0.1 4,-1.5 4,-0.0 3,-0.7 -0.601 74.5-138.9 -91.5 137.0 -30.0 38.3 -17.0 267 172 B L H 3> S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.855 101.9 66.1 -60.3 -35.2 -26.8 37.8 -18.8 268 173 B K H 3> S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 101.5 50.4 -52.3 -40.4 -25.1 36.6 -15.4 269 174 B T H <> S+ 0 0 32 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.946 110.4 47.8 -61.9 -49.4 -27.4 33.6 -15.5 270 175 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.0 53.0 -57.2 -41.3 -26.5 32.7 -19.1 271 176 B V H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 109.1 48.6 -67.1 -36.8 -22.8 33.1 -18.3 272 177 B Q H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.871 110.1 52.2 -71.6 -30.2 -23.1 30.6 -15.4 273 178 B M H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.891 110.4 49.6 -63.5 -42.2 -25.0 28.2 -17.7 274 179 B A H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.895 108.1 51.8 -65.2 -36.3 -22.1 28.6 -20.1 275 180 B V H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.944 111.6 48.9 -61.6 -46.7 -19.5 27.9 -17.3 276 181 B F H X S+ 0 0 29 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.961 113.6 43.7 -59.8 -52.4 -21.4 24.7 -16.4 277 182 B I H X S+ 0 0 54 -4,-2.6 4,-1.4 1,-0.2 3,-0.2 0.936 115.3 50.1 -61.0 -46.1 -21.6 23.4 -20.1 278 183 B H H < S+ 0 0 18 -4,-2.8 10,-0.5 1,-0.2 3,-0.4 0.934 112.9 45.4 -56.5 -45.5 -17.9 24.3 -20.7 279 184 B N H < S+ 0 0 3 -4,-2.8 10,-2.2 1,-0.2 11,-0.4 0.756 117.5 42.9 -72.0 -23.7 -16.7 22.6 -17.5 280 185 B H H < S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.612 83.8 118.0 -99.6 -11.8 -18.8 19.4 -18.0 281 186 B K < - 0 0 107 -4,-1.4 7,-0.5 -3,-0.4 2,-0.3 -0.355 62.6-134.3 -61.7 124.4 -18.1 19.1 -21.9 282 187 B R 0 0 146 -2,-0.2 5,-0.2 5,-0.2 -1,-0.1 -0.639 360.0 360.0 -81.9 131.9 -16.3 15.8 -22.6 283 188 B K 0 0 128 3,-1.8 3,-0.6 -2,-0.3 -1,-0.0 -0.936 360.0 360.0-109.7 360.0 -13.3 16.3 -25.0 284 ! 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 82 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 129.8 -12.5 11.3 -22.8 286 194 B Y - 0 0 115 -3,-0.6 -3,-1.8 -4,-0.1 2,-0.2 -0.781 360.0-124.6-118.2 157.7 -12.6 13.7 -19.8 287 195 B S > - 0 0 9 -2,-0.3 4,-2.5 -5,-0.2 5,-0.2 -0.506 32.4-108.3 -90.3 166.4 -14.2 17.0 -19.0 288 196 B A H > S+ 0 0 1 -7,-0.5 4,-2.5 -10,-0.5 -110,-0.3 0.878 122.1 54.6 -59.5 -37.8 -12.2 20.1 -17.8 289 197 B G H > S+ 0 0 20 -10,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.896 109.7 46.4 -68.6 -35.6 -13.8 19.6 -14.3 290 198 B E H > S+ 0 0 39 -11,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.937 112.0 51.3 -67.8 -41.6 -12.5 16.0 -14.2 291 199 B R H X S+ 0 0 69 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.886 108.3 50.6 -64.3 -41.4 -9.1 17.1 -15.4 292 200 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.959 111.6 47.3 -67.2 -39.9 -8.7 19.9 -12.8 293 201 B V H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.916 114.5 47.4 -62.1 -39.9 -9.6 17.5 -9.9 294 202 B D H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.938 112.5 49.6 -69.7 -43.5 -7.2 14.8 -11.2 295 203 B I H X S+ 0 0 48 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.928 115.8 41.3 -62.4 -47.9 -4.4 17.3 -11.7 296 204 B I H X S+ 0 0 3 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.892 113.4 52.3 -70.9 -35.3 -4.7 18.7 -8.2 297 205 B A H X S+ 0 0 9 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.921 108.9 52.2 -68.0 -35.1 -5.3 15.3 -6.5 298 206 B T H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.930 110.2 49.1 -60.3 -45.4 -2.1 14.1 -8.2 299 207 B D H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 108.8 50.9 -59.6 -51.3 -0.3 17.1 -6.8 300 208 B I H < 0 0 42 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.861 360.0 360.0 -54.0 -37.1 -1.6 16.6 -3.2 301 209 B Q < 0 0 139 -4,-1.8 -4,-0.0 -5,-0.2 0, 0.0 -0.492 360.0 360.0 -79.6 360.0 -0.4 12.9 -3.2