==== 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 30-JUN-11 3ZSO . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR T.S.PEAT,J.NEWMAN,D.I.RHODES,J.J.DEADMAN,N.VANDERGRAAFF,G.LE . 300 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.7 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 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 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 1 1 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 78 0, 0.0 3,-1.6 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 147.8 -21.1 10.6 -0.7 2 58 A P T 3 + 0 0 30 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.718 360.0 49.6 -56.6 -23.7 -18.7 12.7 -2.8 3 59 A G T 3 S+ 0 0 6 51,-0.1 53,-2.2 49,-0.0 52,-1.9 0.261 84.3 110.9-101.2 6.6 -21.8 14.6 -4.4 4 60 A I E < +a 56 0A 42 -3,-1.6 19,-1.6 51,-0.2 20,-0.4 -0.752 37.7 171.8 -97.3 124.4 -23.8 15.5 -1.2 5 61 A W E -aB 57 22A 0 51,-2.5 53,-2.7 -2,-0.5 2,-0.4 -0.909 18.9-148.2-124.7 156.5 -24.1 19.1 -0.1 6 62 A Q E -aB 58 21A 26 15,-2.5 15,-3.2 -2,-0.3 2,-0.2 -0.989 12.1-139.8-126.1 132.4 -26.1 20.9 2.7 7 63 A L E - B 0 20A 1 51,-2.9 2,-0.3 -2,-0.4 13,-0.2 -0.589 21.5-178.9 -88.8 150.4 -27.5 24.4 2.5 8 64 A D E - B 0 19A 9 11,-2.2 11,-3.0 -2,-0.2 2,-0.5 -0.988 11.9-159.1-150.9 138.4 -27.4 26.6 5.6 9 65 A C E + B 0 18A 31 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 16.5 171.8-127.9 127.6 -28.6 30.2 6.1 10 66 A T E - B 0 17A 11 7,-2.3 7,-3.3 -2,-0.5 2,-0.4 -0.903 22.6-128.4-131.4 160.1 -27.3 32.4 8.9 11 67 A H E + B 0 16A 119 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.906 28.3 159.2-116.6 143.1 -27.7 36.1 9.7 12 68 A L E > + B 0 15A 45 3,-2.0 3,-1.9 -2,-0.4 -2,-0.0 -0.923 67.4 0.1-155.6 141.4 -25.3 38.9 10.4 13 69 A E T 3 S- 0 0 96 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.839 127.4 -58.6 53.2 35.0 -25.4 42.7 10.3 14 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.713 121.3 101.9 71.9 13.4 -29.0 42.6 9.1 15 71 A K E < S-B 12 0A 87 -3,-1.9 -3,-2.0 20,-0.0 2,-0.4 -0.774 70.3-118.1-121.6 173.2 -27.9 40.5 6.1 16 72 A V E -BC 11 33A 6 17,-2.2 17,-2.6 -2,-0.3 2,-0.6 -0.921 13.1-157.0-115.9 137.2 -28.1 36.9 5.2 17 73 A I E -BC 10 32A 4 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.5 -0.974 11.4-157.8-109.2 121.8 -25.1 34.6 4.6 18 74 A L E -BC 9 31A 0 13,-2.4 13,-2.2 -2,-0.6 2,-0.4 -0.860 13.8-170.9-100.5 131.5 -26.0 31.5 2.5 19 75 A V E -BC 8 30A 0 -11,-3.0 -11,-2.2 -2,-0.5 2,-0.5 -0.952 17.5-159.5-124.1 139.5 -23.6 28.7 2.9 20 76 A A E -BC 7 29A 1 9,-2.7 9,-1.8 -2,-0.4 2,-0.5 -0.989 16.2-163.2-113.3 122.3 -23.3 25.4 1.0 21 77 A V E -BC 6 28A 17 -15,-3.2 -15,-2.5 -2,-0.5 2,-0.9 -0.912 18.9-138.0-108.8 130.6 -21.3 22.7 2.9 22 78 A H E >>> -BC 5 27A 0 5,-2.9 4,-2.7 -2,-0.5 3,-0.8 -0.799 24.3-150.2 -81.9 113.9 -19.9 19.6 1.3 23 79 A V T 345S+ 0 0 87 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.854 85.2 49.8 -64.0 -46.5 -20.9 17.2 4.0 24 80 A A T 345S+ 0 0 55 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.749 126.0 25.6 -62.5 -32.4 -18.1 14.6 3.7 25 81 A S T <45S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.643 92.6-126.8-103.8 -24.7 -15.2 17.2 3.8 26 82 A G T <5 + 0 0 22 -4,-2.7 -3,-0.1 1,-0.3 111,-0.1 0.465 58.0 148.7 80.3 4.6 -16.6 20.3 5.6 27 83 A Y E < -C 22 0A 2 -5,-0.5 -5,-2.9 110,-0.3 2,-0.3 -0.446 28.2-164.6 -67.8 147.3 -15.5 22.4 2.6 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.898 25.4-165.6-132.8 155.7 -17.8 25.4 2.2 29 85 A E E +C 20 0A 10 -9,-1.8 -9,-2.7 -2,-0.3 2,-0.3 -0.955 25.6 175.8-124.8 152.5 -18.8 28.1 -0.4 30 86 A A E -C 19 0A 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.992 14.7-172.8-151.1 160.8 -20.8 31.1 0.9 31 87 A E E -C 18 0A 17 -13,-2.2 -13,-2.4 -2,-0.3 2,-0.5 -0.984 24.6-121.1-148.7 159.0 -22.3 34.5 -0.3 32 88 A V E +C 17 0A 32 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.876 33.1 170.0 -99.5 136.7 -24.0 37.5 1.3 33 89 A I E -C 16 0A 6 -17,-2.6 -17,-2.2 -2,-0.5 3,-0.1 -0.911 42.8-119.0-137.7 160.4 -27.5 38.4 0.0 34 90 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.904 94.4 -8.9 -77.5 -25.5 -30.0 41.0 1.5 35 91 A A S S- 0 0 50 -20,-0.1 2,-0.5 -19,-0.1 5,-0.1 -0.983 77.5 -98.0-161.2 152.9 -32.5 38.2 2.1 36 92 A E + 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.689 51.6 159.7 -75.6 125.6 -33.1 34.6 1.4 37 93 A T > - 0 0 67 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.890 53.3-109.9-131.1 169.6 -35.4 34.3 -1.6 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.923 120.1 53.6 -66.8 -40.2 -36.0 31.3 -4.1 39 95 A Q H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 110.9 43.8 -63.6 -44.3 -34.3 33.4 -6.8 40 96 A E H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 116.2 47.9 -65.0 -41.4 -31.1 34.0 -4.7 41 97 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 111.6 50.2 -68.2 -40.0 -31.0 30.4 -3.6 42 98 A A H X S+ 0 0 11 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.920 111.3 48.2 -59.9 -42.3 -31.5 29.1 -7.1 43 99 A Y H X S+ 0 0 30 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 110.7 51.5 -67.7 -38.2 -28.7 31.3 -8.5 44 100 A F H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.895 110.3 47.8 -66.4 -41.4 -26.3 30.2 -5.7 45 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.876 109.4 54.2 -66.6 -34.0 -27.0 26.5 -6.4 46 102 A L H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.938 110.9 46.3 -64.2 -44.5 -26.4 27.1 -10.2 47 103 A K H X S+ 0 0 43 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.945 113.1 49.2 -56.3 -50.8 -23.0 28.7 -9.3 48 104 A L H >X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-1.2 0.908 110.7 49.0 -58.9 -45.4 -22.1 25.8 -6.9 49 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.2 1,-0.3 -1,-0.2 0.726 105.5 56.5 -79.6 -14.8 -23.0 23.0 -9.4 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.708 115.8 39.8 -78.2 -14.1 -21.0 24.6 -12.2 51 107 A R H << S+ 0 0 18 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.1 0.743 124.6 23.1-104.0 -34.5 -17.9 24.5 -9.9 52 108 A W S < S- 0 0 4 -4,-2.3 2,-1.7 -49,-0.0 -1,-0.2 -0.942 89.0 -98.5-133.9 159.4 -18.3 21.1 -8.1 53 109 A P - 0 0 62 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.558 47.9-172.6 -82.3 84.3 -20.1 17.8 -9.1 54 110 A V + 0 0 10 -2,-1.7 -50,-0.2 -5,-0.2 3,-0.1 -0.668 18.8 162.0 -87.2 110.3 -23.2 18.4 -7.0 55 111 A K + 0 0 130 -52,-1.9 25,-2.8 -2,-0.7 2,-0.4 0.826 65.1 18.9 -96.3 -39.4 -25.4 15.4 -7.0 56 112 A T E -ad 4 80A 8 -53,-2.2 -51,-2.5 23,-0.2 2,-0.5 -0.995 59.7-164.8-133.4 134.4 -27.7 16.0 -4.0 57 113 A V E -ad 5 81A 0 23,-2.6 25,-2.7 -2,-0.4 2,-0.7 -0.992 12.4-150.4-120.3 126.9 -28.5 19.1 -2.0 58 114 A H E -ad 6 82A 39 -53,-2.7 -51,-2.9 -2,-0.5 25,-0.2 -0.828 30.3-135.2 -83.3 113.7 -30.2 19.0 1.4 59 115 A T - 0 0 2 23,-2.6 3,-0.1 -2,-0.7 6,-0.0 -0.359 5.9-126.5 -74.3 159.9 -32.1 22.3 1.4 60 116 A D S S- 0 0 39 1,-0.1 2,-0.3 23,-0.1 -51,-0.1 0.659 80.8 -1.7 -86.2 -19.4 -32.0 24.5 4.5 61 117 A N S > S- 0 0 61 -53,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.967 76.2 -96.8-159.4 174.5 -35.8 25.0 5.1 62 118 A G H > S+ 0 0 49 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.774 115.7 61.4 -76.9 -22.4 -39.1 24.0 3.6 63 119 A S H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 109.1 42.2 -67.2 -46.8 -39.6 27.3 1.7 64 120 A N H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 113.6 53.4 -65.9 -34.1 -36.5 26.6 -0.4 65 121 A F H < S+ 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.0 37.8 -61.8 -43.4 -37.5 22.9 -0.7 66 122 A T H < S+ 0 0 93 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.826 87.7 115.1 -78.2 -29.8 -41.0 24.0 -2.0 67 123 A S X - 0 0 23 -4,-2.1 4,-2.3 1,-0.2 5,-0.1 -0.049 58.0-149.2 -52.8 126.2 -39.8 27.0 -4.2 68 124 A T H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.836 97.7 55.5 -67.7 -27.7 -40.5 26.5 -7.9 69 125 A T H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 109.4 46.1 -68.0 -44.9 -37.4 28.6 -8.8 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 112.4 50.4 -64.0 -42.8 -35.2 26.5 -6.6 71 127 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 109.3 53.3 -61.8 -35.7 -36.7 23.3 -8.1 72 128 A A H X S+ 0 0 53 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 109.5 46.7 -65.0 -41.2 -36.1 24.7 -11.6 73 129 A A H X S+ 0 0 15 -4,-2.3 4,-2.8 2,-0.2 6,-0.2 0.899 111.2 51.2 -67.8 -40.5 -32.4 25.4 -10.9 74 130 A C H X>S+ 0 0 3 -4,-2.4 5,-2.8 2,-0.2 4,-0.6 0.931 111.9 47.7 -63.1 -40.0 -32.0 21.9 -9.4 75 131 A W H ><5S+ 0 0 198 -4,-2.4 3,-1.1 -5,-0.2 -2,-0.2 0.961 113.0 49.5 -60.9 -48.0 -33.6 20.4 -12.5 76 132 A W H 3<5S+ 0 0 51 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.941 116.7 39.7 -57.2 -48.3 -31.4 22.6 -14.8 77 133 A A H 3<5S- 0 0 7 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.389 113.2-111.5 -85.9 1.4 -28.2 21.7 -13.0 78 134 A G T <<5 + 0 0 60 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.2 0.853 64.4 150.5 74.7 28.2 -28.9 18.0 -12.5 79 135 A I < - 0 0 13 -5,-2.8 2,-0.6 -6,-0.2 -1,-0.2 -0.862 46.2-134.7-100.6 133.3 -29.3 18.2 -8.7 80 136 A K E -d 56 0A 130 -25,-2.8 -23,-2.6 -2,-0.5 2,-0.5 -0.756 25.0-143.8 -79.7 117.4 -31.5 16.0 -6.6 81 137 A Q E +d 57 0A 31 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.752 26.7 173.5 -89.4 125.2 -33.2 18.3 -4.2 82 138 A E E -d 58 0A 52 -25,-2.7 -23,-2.6 -2,-0.5 2,-0.0 -0.825 34.4-102.3-121.8 163.4 -33.8 16.8 -0.8 83 139 A D - 0 0 48 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.259 25.6-135.0 -71.4-178.8 -35.0 18.0 2.6 84 140 A G + 0 0 26 -26,-0.2 -26,-0.1 -78,-0.0 -1,-0.1 -0.072 44.8 152.7-132.1 31.4 -32.4 18.8 5.3 85 141 A I - 0 0 93 1,-0.1 2,-2.4 -24,-0.0 3,-0.3 -0.500 51.5-125.4 -67.6 128.3 -34.1 17.0 8.2 86 142 A P + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.452 43.0 163.0 -77.4 67.4 -31.4 15.9 10.7 87 143 A Y S S+ 0 0 177 -2,-2.4 3,-0.1 1,-0.2 -2,-0.0 0.821 79.7 56.1 -47.8 -35.2 -32.6 12.3 10.7 88 144 A N S > S- 0 0 84 -3,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.936 89.8-150.9 -99.1 113.7 -29.2 12.0 12.3 89 145 A P T >> S+ 0 0 95 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.743 88.5 72.0 -63.1 -24.8 -29.4 14.4 15.3 90 146 A Q H 3> S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.786 85.1 70.6 -58.8 -25.7 -25.6 15.2 15.2 91 147 A S H <> S+ 0 0 55 -3,-2.1 4,-2.2 2,-0.2 5,-0.2 0.885 92.0 55.2 -61.3 -48.5 -26.3 17.3 11.9 92 148 A Q H <> S+ 0 0 110 -3,-0.6 4,-2.2 -4,-0.4 -1,-0.2 0.967 112.4 43.1 -36.4 -66.2 -28.1 20.0 13.8 93 149 A G H X S+ 0 0 33 -4,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.828 110.5 55.7 -60.1 -38.9 -25.1 20.5 16.2 94 150 A V H X S+ 0 0 100 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 110.2 44.2 -63.0 -47.5 -22.5 20.4 13.3 95 151 A I H X S+ 0 0 42 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.890 113.6 51.6 -63.4 -42.1 -24.2 23.2 11.3 96 152 A E H X S+ 0 0 117 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.921 110.3 48.6 -61.4 -43.9 -24.6 25.3 14.5 97 153 A S H X S+ 0 0 82 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.881 110.7 51.6 -64.3 -39.2 -21.0 24.8 15.3 98 154 A M H X S+ 0 0 16 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.945 109.1 50.1 -66.1 -41.8 -20.0 25.8 11.7 99 155 A N H X S+ 0 0 23 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.917 112.0 47.8 -58.8 -44.9 -22.1 29.0 12.0 100 156 A K H X S+ 0 0 169 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.928 112.3 48.4 -61.6 -42.7 -20.5 29.9 15.2 101 157 A E H X S+ 0 0 55 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.909 112.1 50.0 -63.0 -45.8 -17.0 29.3 13.8 102 158 A L H X S+ 0 0 9 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.934 110.6 48.5 -58.1 -45.8 -17.7 31.3 10.7 103 159 A K H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 109.7 53.8 -65.4 -31.3 -19.0 34.2 12.6 104 160 A K H X S+ 0 0 145 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.923 111.1 45.1 -66.9 -45.1 -15.9 34.0 14.9 105 161 A I H X S+ 0 0 11 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.935 109.5 55.2 -66.1 -43.1 -13.6 34.2 11.9 106 162 A I H X S+ 0 0 5 -4,-2.9 4,-1.2 1,-0.2 3,-0.4 0.926 107.9 50.1 -53.7 -45.2 -15.7 37.0 10.3 107 163 A G H < S+ 0 0 54 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.910 106.4 55.9 -58.7 -35.4 -15.2 39.0 13.6 108 164 A Q H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.750 120.9 29.0 -69.5 -25.6 -11.5 38.3 13.4 109 165 A V H >< S+ 0 0 5 -4,-1.6 3,-2.8 -3,-0.4 4,-0.3 0.466 88.3 107.0-106.9 -1.6 -11.3 39.9 10.0 110 166 A R G >< S+ 0 0 57 -4,-1.2 3,-1.2 -3,-0.3 -2,-0.1 0.794 77.6 51.1 -57.7 -33.6 -14.1 42.3 10.1 111 167 A D G 3 S+ 0 0 146 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.520 93.7 75.7 -82.2 -2.5 -12.0 45.5 10.3 112 168 A Q G < S+ 0 0 99 -3,-2.8 2,-0.3 1,-0.1 -1,-0.3 0.483 104.6 30.4 -87.8 2.1 -9.9 44.4 7.2 113 169 A A < - 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0 0 2 -5,-0.5 -5,-3.0 110,-0.3 2,-0.3 -0.444 28.4-164.0 -70.1 147.9 -11.7 24.6 -15.8 180 84 B I E -H 173 0C 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.904 25.8-165.5-133.1 155.1 -13.1 28.1 -15.4 181 85 B E E +H 172 0C 9 -9,-1.8 -9,-2.9 -2,-0.3 2,-0.3 -0.963 25.2 176.3-124.4 153.2 -15.0 30.3 -12.8 182 86 B A E -H 171 0C 3 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.987 14.1-173.2-150.9 160.9 -16.6 33.6 -14.1 183 87 B E E -H 170 0C 18 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.5 -0.984 24.6-121.4-150.2 158.7 -18.7 36.5 -12.9 184 88 B V E +H 169 0C 34 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.869 33.3 170.1-100.3 133.6 -20.5 39.5 -14.5 185 89 B I E -H 168 0C 7 -17,-2.5 -17,-2.3 -2,-0.5 3,-0.1 -0.910 43.6-117.1-136.0 160.2 -19.5 43.0 -13.2 186 90 B P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.922 94.2 -15.4 -72.0 -31.4 -20.5 46.5 -14.7 187 91 B A S S- 0 0 50 -20,-0.1 2,-0.5 -19,-0.1 5,-0.1 -0.981 78.2 -91.0-163.5 157.6 -16.8 47.2 -15.4 188 92 B E + 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.656 51.7 160.3 -76.1 125.1 -13.4 46.0 -14.6 189 93 B T > - 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0 0 13 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.861 46.9-132.9-100.3 133.5 -1.1 34.4 -4.5 232 136 B K E -i 208 0C 120 -25,-2.8 -23,-2.5 -2,-0.5 2,-0.5 -0.775 25.2-144.5 -77.6 117.9 1.9 35.2 -6.6 233 137 B Q E +i 209 0C 35 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.755 26.4 173.2 -91.6 125.5 0.8 37.9 -9.0 234 138 B E E -i 210 0C 75 -25,-2.6 -23,-2.6 -2,-0.5 2,-0.0 -0.824 34.4-101.9-123.5 165.5 2.4 37.7 -12.4 235 139 B D - 0 0 63 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.245 26.7-132.7 -75.4-177.4 1.9 39.4 -15.8 236 140 B G + 0 0 27 -26,-0.2 -1,-0.1 -78,-0.0 -26,-0.1 -0.093 45.7 152.0-129.8 33.4 -0.0 37.5 -18.5 237 141 B I - 0 0 83 1,-0.1 2,-2.3 -24,-0.0 3,-0.3 -0.520 51.6-124.6 -72.6 129.1 2.3 38.0 -21.4 238 142 B P + 0 0 42 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.525 41.5 164.8 -75.7 72.3 1.9 35.1 -23.9 239 143 B Y S S+ 0 0 184 -2,-2.3 3,-0.0 1,-0.1 -2,-0.0 0.830 79.3 57.3 -52.2 -38.1 5.6 34.1 -23.9 240 144 B N S > S- 0 0 85 -3,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.913 88.8-151.3 -89.5 123.2 4.1 31.1 -25.5 241 145 B P T >> S+ 0 0 91 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.743 89.2 71.2 -72.4 -20.1 2.2 32.6 -28.5 242 146 B Q H 3> S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.562 85.0 74.3 -70.2 -8.7 -0.4 29.8 -28.5 243 147 B S H <> S+ 0 0 52 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.832 89.2 52.5 -74.2 -39.5 -1.8 31.5 -25.3 244 148 B Q H <> S+ 0 0 104 -3,-0.8 4,-2.6 -4,-0.3 5,-0.2 0.982 113.6 46.3 -55.1 -54.9 -3.4 34.5 -27.1 245 149 B G H X S+ 0 0 28 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.816 109.0 54.4 -57.7 -38.1 -5.2 32.0 -29.3 246 150 B V H X S+ 0 0 100 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.940 112.0 42.6 -67.1 -46.7 -6.3 29.8 -26.5 247 151 B I H X S+ 0 0 43 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.905 113.5 54.0 -61.6 -44.5 -8.0 32.6 -24.5 248 152 B E H X S+ 0 0 122 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.928 109.9 46.6 -57.1 -46.6 -9.5 34.0 -27.8 249 153 B S H X S+ 0 0 62 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.873 110.4 52.7 -70.8 -36.3 -11.1 30.6 -28.6 250 154 B M H X S+ 0 0 22 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 109.1 50.0 -62.9 -39.9 -12.4 30.2 -25.0 251 155 B N H X S+ 0 0 23 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.924 111.6 48.3 -63.5 -39.5 -14.1 33.6 -25.1 252 156 B K H X S+ 0 0 162 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.942 112.9 47.4 -64.9 -44.2 -15.7 32.7 -28.4 253 157 B E H X S+ 0 0 46 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.921 112.7 50.1 -60.6 -48.2 -16.9 29.3 -27.1 254 158 B L H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.937 110.7 48.4 -58.4 -43.7 -18.3 31.0 -23.9 255 159 B K H X S+ 0 0 78 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.882 109.3 53.9 -67.7 -30.3 -20.1 33.5 -25.9 256 160 B K H X S+ 0 0 138 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.932 111.7 45.3 -66.3 -46.2 -21.5 30.8 -28.1 257 161 B I H X S+ 0 0 11 -4,-2.7 4,-1.6 1,-0.2 5,-0.2 0.933 108.8 54.9 -64.7 -45.9 -22.8 29.0 -25.1 258 162 B I H >X S+ 0 0 6 -4,-2.9 4,-1.2 1,-0.2 3,-0.5 0.918 108.7 49.1 -51.1 -46.7 -24.2 32.1 -23.6 259 163 B G H 3< S+ 0 0 53 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.888 106.4 56.8 -63.0 -32.6 -26.2 32.7 -26.8 260 164 B Q H 3< S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.736 121.2 28.1 -68.4 -25.0 -27.5 29.1 -26.7 261 165 B V H X< S+ 0 0 4 -4,-1.6 3,-2.8 -3,-0.5 4,-0.3 0.442 89.0 107.0-108.7 -0.6 -28.9 29.7 -23.2 262 166 B R G >< S+ 0 0 55 -4,-1.2 3,-1.2 1,-0.3 -2,-0.1 0.817 76.9 52.1 -59.4 -32.8 -29.6 33.3 -23.3 263 167 B D G 3 S+ 0 0 144 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.532 93.7 75.4 -80.8 -2.0 -33.4 33.1 -23.6 264 168 B Q G < S+ 0 0 95 -3,-2.8 2,-0.3 1,-0.1 -1,-0.3 0.443 104.3 28.8 -88.2 1.5 -33.5 30.8 -20.5 265 169 B A < - 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0 0 114 -4,-1.5 7,-0.5 -3,-0.3 2,-0.3 -0.326 62.5-135.0 -59.7 124.5 -18.2 19.2 -21.3 283 187 B R 0 0 153 -2,-0.2 5,-0.2 5,-0.2 -1,-0.1 -0.661 360.0 360.0 -85.5 132.4 -16.4 15.9 -22.0 284 188 B K 0 0 139 3,-2.0 3,-0.8 -2,-0.3 -1,-0.0 -0.927 360.0 360.0-117.0 360.0 -13.4 16.2 -24.5 285 ! 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 0.0 286 193 B G 0 0 81 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 141.7 -12.6 11.5 -22.3 287 194 B Y - 0 0 109 -3,-0.8 -3,-2.0 -5,-0.0 2,-0.2 -0.797 360.0-125.9-118.0 157.1 -12.6 13.8 -19.2 288 195 B S > - 0 0 8 -2,-0.3 4,-2.4 -5,-0.2 -5,-0.2 -0.520 32.8-106.7 -89.5 169.1 -14.3 17.1 -18.5 289 196 B A H > S+ 0 0 2 -7,-0.5 4,-2.6 -10,-0.4 -110,-0.3 0.871 122.0 56.3 -64.6 -34.9 -12.4 20.2 -17.3 290 197 B G H > S+ 0 0 20 -10,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.890 109.1 45.7 -66.7 -38.1 -13.9 19.7 -13.8 291 198 B E H > S+ 0 0 36 -11,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.926 112.1 52.0 -63.7 -43.8 -12.6 16.2 -13.7 292 199 B R H X S+ 0 0 71 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.886 107.6 50.3 -62.4 -44.0 -9.2 17.3 -14.9 293 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.940 112.1 46.5 -66.5 -38.7 -8.7 20.0 -12.3 294 201 B V H X S+ 0 0 3 -4,-1.5 4,-2.9 -5,-0.2 5,-0.2 0.933 113.7 49.2 -66.2 -39.8 -9.6 17.7 -9.4 295 202 B D H X S+ 0 0 59 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.943 112.0 49.2 -63.0 -47.6 -7.3 14.9 -10.7 296 203 B I H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.931 115.7 41.5 -59.9 -45.4 -4.5 17.4 -11.1 297 204 B I H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.897 113.3 51.8 -73.1 -38.1 -4.8 18.9 -7.7 298 205 B A H X S+ 0 0 5 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.916 109.8 51.4 -66.0 -35.4 -5.4 15.5 -5.9 299 206 B T H < S+ 0 0 85 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.940 110.5 49.2 -64.3 -41.6 -2.3 14.2 -7.6 300 207 B D H >< S+ 0 0 80 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.928 106.3 54.6 -58.9 -53.3 -0.4 17.3 -6.3 301 208 B I H 3< S+ 0 0 34 -4,-2.8 2,-0.8 1,-0.3 -1,-0.2 0.851 96.1 67.5 -53.1 -39.2 -1.6 16.8 -2.7 302 209 B Q T 3< 0 0 97 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.013 360.0 360.0 -72.5 32.9 -0.3 13.2 -2.8 303 210 B T < 0 0 152 -3,-1.0 -2,-0.1 -2,-0.8 -3,-0.1 -0.280 360.0 360.0-152.7 360.0 3.3 14.9 -2.9