==== 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 3ZSX . 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) . 14363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 76.2 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.4 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,-1.3 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -26.0 -21.6 10.8 -0.4 2 58 A P T 3 + 0 0 30 0, 0.0 143,-0.1 0, 0.0 23,-0.1 0.757 360.0 46.2 -56.1 -20.6 -18.8 12.6 -2.5 3 59 A G T 3 S+ 0 0 7 51,-0.1 52,-2.3 2,-0.0 53,-2.3 0.312 87.3 111.0-104.8 8.5 -21.8 14.5 -4.1 4 60 A I E < +a 56 0A 45 -3,-1.3 19,-1.4 51,-0.2 20,-0.4 -0.763 38.0 173.9 -99.7 124.5 -23.8 15.4 -1.0 5 61 A W E -aB 57 22A 0 51,-2.5 53,-2.6 -2,-0.5 2,-0.4 -0.891 18.1-148.0-124.9 152.4 -24.1 19.1 0.2 6 62 A Q E -aB 58 21A 27 15,-2.5 15,-3.2 -2,-0.3 2,-0.3 -0.986 13.1-138.2-122.2 130.2 -26.1 20.8 2.9 7 63 A L E - B 0 20A 1 51,-3.0 2,-0.3 -2,-0.4 13,-0.2 -0.630 22.2-176.7 -85.5 146.3 -27.5 24.3 2.7 8 64 A D E - B 0 19A 11 11,-2.6 11,-3.2 -2,-0.3 2,-0.5 -0.997 10.7-161.0-145.7 135.1 -27.2 26.5 5.8 9 65 A C E + B 0 18A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 16.8 169.1-122.3 128.5 -28.6 30.1 6.4 10 66 A T E - B 0 17A 13 7,-2.7 7,-3.3 -2,-0.5 2,-0.3 -0.888 22.3-131.0-133.1 165.2 -27.2 32.3 9.1 11 67 A H E + B 0 16A 113 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.918 26.9 158.1-122.6 147.0 -27.6 36.0 10.0 12 68 A L E > + B 0 15A 46 3,-2.0 3,-2.0 -2,-0.3 -2,-0.0 -0.914 68.7 3.8-162.4 138.9 -25.2 38.8 10.9 13 69 A E T 3 S- 0 0 96 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.803 127.9 -59.9 55.5 33.3 -25.3 42.6 10.7 14 70 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.720 119.2 102.6 68.5 21.2 -28.9 42.4 9.6 15 71 A K E < S-B 12 0A 85 -3,-2.0 -3,-2.0 20,-0.0 2,-0.4 -0.793 70.8-113.1-125.4 173.4 -27.9 40.4 6.5 16 72 A V E -BC 11 33A 7 17,-2.1 17,-2.5 -2,-0.3 2,-0.6 -0.886 14.3-157.8-111.7 137.2 -28.0 36.8 5.5 17 73 A I E -BC 10 32A 4 -7,-3.3 -7,-2.7 -2,-0.4 2,-0.5 -0.976 11.9-158.3-114.7 113.4 -25.1 34.5 5.0 18 74 A L E -BC 9 31A 0 13,-2.6 13,-2.2 -2,-0.6 2,-0.3 -0.873 15.1-173.3 -92.4 125.6 -26.0 31.6 2.7 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.6 -2,-0.5 2,-0.5 -0.931 18.6-160.7-122.3 139.3 -23.6 28.6 3.2 20 76 A A E -BC 7 29A 0 9,-2.7 9,-1.7 -2,-0.3 2,-0.5 -0.993 15.5-160.6-115.3 125.2 -23.3 25.2 1.3 21 77 A V E -BC 6 28A 15 -15,-3.2 -15,-2.5 -2,-0.5 2,-1.0 -0.900 18.2-138.3-106.3 129.6 -21.4 22.6 3.2 22 78 A H E >>> -BC 5 27A 0 5,-3.1 4,-2.9 -2,-0.5 3,-1.1 -0.766 24.9-150.7 -80.7 106.9 -19.8 19.5 1.6 23 79 A V T 345S+ 0 0 85 -19,-1.4 -1,-0.2 -2,-1.0 -18,-0.1 0.856 85.2 48.7 -55.0 -50.1 -20.9 17.1 4.3 24 80 A A T 345S+ 0 0 49 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.717 126.5 25.4 -67.6 -21.6 -18.1 14.5 4.0 25 81 A S T <45S- 0 0 5 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.654 93.0-126.5-115.1 -20.6 -15.3 17.0 4.1 26 82 A G T <5 + 0 0 23 -4,-2.9 -3,-0.2 1,-0.3 111,-0.1 0.524 57.3 150.0 77.3 5.8 -16.6 20.1 5.9 27 83 A Y E < -C 22 0A 1 -5,-0.6 -5,-3.1 110,-0.3 2,-0.3 -0.483 27.9-160.3 -67.6 144.3 -15.6 22.3 3.0 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.3 96,-0.2 -7,-0.2 -0.882 26.1-168.5-130.3 153.4 -17.7 25.4 2.4 29 85 A E E +C 20 0A 10 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.3 -0.956 25.4 175.4-126.1 147.8 -18.8 28.0 -0.1 30 86 A A E -C 19 0A 2 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 16.0-171.2-150.6 158.9 -20.8 31.1 1.1 31 87 A E E -C 18 0A 19 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.5 -0.977 25.1-122.4-144.3 153.8 -22.2 34.4 0.0 32 88 A V E +C 17 0A 31 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.874 34.5 174.1 -93.4 132.0 -23.9 37.4 1.6 33 89 A I E -C 16 0A 6 -17,-2.5 -17,-2.1 -2,-0.5 3,-0.1 -0.938 40.1-122.7-133.0 154.7 -27.4 38.2 0.4 34 90 A P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.882 93.8 -9.0 -68.9 -29.8 -29.9 40.9 1.6 35 91 A A S S- 0 0 50 -20,-0.1 2,-0.9 -19,-0.1 5,-0.1 -0.973 77.2-101.2-160.9 149.1 -32.6 38.2 2.3 36 92 A E + 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.722 53.3 159.7 -81.5 106.8 -33.0 34.5 1.6 37 93 A T > - 0 0 67 -2,-0.9 4,-2.2 1,-0.1 5,-0.1 -0.745 54.2-108.5-113.8 168.4 -35.4 34.2 -1.4 38 94 A G H > S+ 0 0 19 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.889 119.8 53.4 -62.0 -41.1 -35.9 31.3 -3.8 39 95 A Q H > S+ 0 0 138 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 110.1 46.1 -63.3 -45.0 -34.2 33.3 -6.6 40 96 A E H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 115.2 46.9 -60.8 -46.1 -31.1 33.9 -4.4 41 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 111.9 50.6 -65.1 -43.5 -31.0 30.3 -3.3 42 98 A A H X S+ 0 0 10 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.917 112.0 47.7 -55.6 -49.1 -31.4 29.0 -7.0 43 99 A Y H X S+ 0 0 28 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 110.3 51.6 -63.0 -45.4 -28.6 31.2 -8.2 44 100 A F H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 111.0 48.2 -57.0 -42.0 -26.2 30.2 -5.4 45 101 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.871 108.4 54.1 -69.5 -37.0 -26.9 26.4 -6.2 46 102 A L H X S+ 0 0 6 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.922 111.0 46.4 -62.2 -45.0 -26.3 27.0 -9.9 47 103 A K H X S+ 0 0 44 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.944 113.5 48.8 -59.0 -51.6 -22.9 28.6 -9.1 48 104 A L H >X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.890 110.4 49.6 -54.8 -48.9 -22.0 25.8 -6.7 49 105 A A H 3< S+ 0 0 1 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.730 105.6 56.1 -71.7 -23.3 -22.9 23.0 -9.2 50 106 A G H 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.655 116.0 40.8 -72.6 -17.9 -20.9 24.6 -12.1 51 107 A R H << S+ 0 0 19 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.771 123.5 22.1-102.6 -34.7 -17.9 24.4 -9.7 52 108 A W S < S- 0 0 5 -4,-2.1 2,-1.8 -49,-0.0 -1,-0.2 -0.942 89.0 -96.9-131.2 156.0 -18.2 21.0 -7.9 53 109 A P - 0 0 64 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.514 48.2-171.8 -74.7 82.0 -20.0 17.7 -8.8 54 110 A V + 0 0 10 -2,-1.8 -50,-0.2 -5,-0.3 3,-0.1 -0.660 19.1 161.6 -80.7 113.1 -23.2 18.4 -6.8 55 111 A K + 0 0 142 -52,-2.3 25,-2.9 -2,-0.7 2,-0.4 0.847 65.4 18.3 -98.7 -40.8 -25.4 15.3 -6.7 56 112 A T E -ad 4 80A 9 -53,-2.3 -51,-2.5 23,-0.2 2,-0.5 -0.987 59.7-164.2-135.5 137.0 -27.7 15.9 -3.7 57 113 A V E -ad 5 81A 0 23,-2.5 25,-3.1 -2,-0.4 2,-0.9 -0.993 11.7-151.1-123.4 125.8 -28.6 19.1 -1.8 58 114 A H E -ad 6 82A 43 -53,-2.6 -51,-3.0 -2,-0.5 25,-0.2 -0.867 29.2-135.0 -89.1 108.7 -30.2 19.0 1.6 59 115 A T - 0 0 1 23,-2.3 3,-0.1 -2,-0.9 6,-0.0 -0.232 5.8-128.7 -65.4 155.0 -32.1 22.3 1.6 60 116 A D S S+ 0 0 39 1,-0.1 2,-0.3 -54,-0.1 -51,-0.2 0.600 79.7 0.6 -84.1 -15.6 -32.0 24.5 4.7 61 117 A N S > S- 0 0 59 -53,-0.1 4,-1.7 1,-0.0 5,-0.1 -0.967 76.5 -95.5-164.2 169.6 -35.7 25.0 5.3 62 118 A G H > S+ 0 0 47 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.745 115.1 59.3 -69.3 -26.5 -39.2 24.1 4.0 63 119 A S H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.8 41.7 -70.9 -44.1 -39.5 27.3 1.9 64 120 A N H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.826 113.8 54.4 -66.7 -36.2 -36.5 26.6 -0.2 65 121 A F H < S+ 0 0 68 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.920 116.6 37.4 -59.7 -45.5 -37.5 23.0 -0.4 66 122 A T H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.841 89.1 116.8 -71.9 -36.4 -41.0 24.1 -1.8 67 123 A S X - 0 0 23 -4,-2.4 4,-2.4 -5,-0.2 5,-0.1 -0.030 56.2-152.0 -45.9 124.0 -39.7 27.0 -3.9 68 124 A T H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.866 97.2 53.2 -69.5 -30.4 -40.4 26.4 -7.6 69 125 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 108.9 48.3 -67.6 -42.8 -37.3 28.5 -8.6 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 112.8 48.9 -61.7 -45.3 -35.1 26.4 -6.3 71 127 A K H X S+ 0 0 89 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.900 109.9 52.7 -58.8 -41.5 -36.6 23.2 -7.9 72 128 A A H X S+ 0 0 54 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.910 110.1 47.1 -60.9 -42.2 -36.0 24.7 -11.4 73 129 A A H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 111.7 50.5 -67.1 -41.5 -32.3 25.3 -10.6 74 130 A C H X>S+ 0 0 3 -4,-2.4 5,-3.1 1,-0.2 4,-0.7 0.905 112.5 47.6 -62.3 -41.2 -31.9 21.8 -9.2 75 131 A W H ><5S+ 0 0 194 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.964 112.1 49.7 -59.6 -49.9 -33.5 20.5 -12.4 76 132 A W H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.915 116.8 40.2 -56.9 -45.8 -31.2 22.6 -14.6 77 133 A A H 3<5S- 0 0 7 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.399 113.0-110.1 -90.9 1.5 -28.0 21.6 -12.8 78 134 A G T <<5 + 0 0 58 -3,-1.1 2,-0.5 -4,-0.7 -3,-0.2 0.861 65.4 151.7 75.7 33.0 -28.8 17.9 -12.3 79 135 A I < - 0 0 13 -5,-3.1 2,-0.7 -6,-0.2 -1,-0.2 -0.872 46.0-136.4-105.9 131.7 -29.2 18.1 -8.6 80 136 A K E -d 56 0A 140 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.6 -0.766 25.1-145.7 -79.1 116.0 -31.5 15.9 -6.5 81 137 A Q E +d 57 0A 33 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.770 25.3 175.8 -89.4 120.9 -33.2 18.3 -4.1 82 138 A E E -d 58 0A 57 -25,-3.1 -23,-2.3 -2,-0.6 -26,-0.0 -0.772 31.8-103.1-121.0 165.0 -33.8 16.7 -0.7 83 139 A D - 0 0 46 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.154 25.4-131.7 -74.4-177.6 -35.3 17.9 2.6 84 140 A G + 0 0 29 -26,-0.2 -26,-0.1 -78,-0.1 -1,-0.1 0.172 46.1 150.4-126.0 17.9 -32.9 18.7 5.5 85 141 A I - 0 0 95 1,-0.1 2,-2.2 2,-0.1 3,-0.3 -0.293 49.1-131.5 -55.3 124.4 -34.5 16.8 8.4 86 142 A P + 0 0 51 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.401 39.4 163.9 -80.6 66.0 -31.8 15.7 10.8 87 143 A Y S S+ 0 0 175 -2,-2.2 -2,-0.1 1,-0.2 3,-0.1 0.801 79.2 62.1 -46.5 -28.8 -33.0 12.1 11.0 88 144 A N S > S- 0 0 93 -3,-0.3 3,-2.2 1,-0.1 4,-0.4 -0.920 85.2-156.1 -97.4 108.1 -29.5 12.1 12.5 89 145 A P T >> S+ 0 0 86 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.723 87.4 69.7 -57.6 -25.7 -29.7 14.4 15.6 90 146 A Q H 3> S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.672 84.9 71.8 -68.2 -16.7 -25.9 15.1 15.4 91 147 A S H <> S+ 0 0 47 -3,-2.2 4,-2.1 2,-0.2 5,-0.2 0.894 92.2 53.6 -65.4 -45.5 -26.5 17.1 12.2 92 148 A Q H <> S+ 0 0 97 -3,-0.6 4,-2.6 -4,-0.4 5,-0.2 0.953 111.9 46.5 -48.4 -55.3 -28.2 20.0 14.0 93 149 A G H X S+ 0 0 30 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.850 109.5 52.3 -59.8 -43.0 -25.1 20.3 16.3 94 150 A V H X S+ 0 0 102 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.910 114.0 43.4 -61.5 -44.1 -22.5 20.1 13.6 95 151 A I H X S+ 0 0 40 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.900 112.8 51.6 -69.1 -44.7 -24.2 23.0 11.6 96 152 A E H X S+ 0 0 120 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.915 111.3 49.3 -56.6 -45.1 -24.8 25.1 14.8 97 153 A S H X S+ 0 0 78 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.883 109.5 51.1 -62.9 -41.0 -21.1 24.6 15.6 98 154 A M H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.925 108.3 51.7 -64.5 -41.7 -20.0 25.6 12.1 99 155 A N H X S+ 0 0 25 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.934 111.9 46.5 -58.7 -46.4 -22.1 28.8 12.2 100 156 A K H X S+ 0 0 160 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 114.0 47.9 -62.9 -43.4 -20.5 29.7 15.6 101 157 A E H X S+ 0 0 53 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.928 112.8 48.9 -60.0 -47.4 -17.0 29.0 14.2 102 158 A L H X S+ 0 0 9 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.933 111.6 48.6 -60.3 -45.8 -17.7 31.0 11.0 103 159 A K H X S+ 0 0 77 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.877 109.6 53.3 -61.7 -38.4 -19.0 34.0 13.0 104 160 A K H X S+ 0 0 144 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.952 110.7 45.9 -59.7 -49.7 -15.9 33.8 15.2 105 161 A I H X S+ 0 0 11 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 0.932 109.9 54.5 -60.0 -45.4 -13.6 33.9 12.2 106 162 A I H X S+ 0 0 6 -4,-2.8 4,-1.1 1,-0.2 3,-0.3 0.903 108.5 49.6 -55.2 -44.1 -15.7 36.8 10.7 107 163 A G H < S+ 0 0 52 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.896 107.4 54.4 -61.4 -39.9 -15.1 38.7 14.0 108 164 A Q H < S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.803 121.4 29.8 -64.3 -27.9 -11.4 38.0 13.8 109 165 A V H >< S+ 0 0 4 -4,-1.7 3,-2.7 -3,-0.3 -1,-0.2 0.434 88.2 107.4-106.3 -3.2 -11.2 39.5 10.3 110 166 A R G >< S+ 0 0 57 -4,-1.1 3,-1.2 -3,-0.4 9,-0.1 0.828 77.1 52.0 -56.2 -39.5 -14.0 42.1 10.5 111 167 A D G 3 S+ 0 0 144 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.481 95.3 72.2 -74.3 -2.2 -11.8 45.2 10.7 112 168 A Q G < S+ 0 0 92 -3,-2.7 2,-0.3 1,-0.1 -1,-0.2 0.361 102.8 39.5 -95.1 7.3 -9.8 44.1 7.5 113 169 A A < - 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0 0 21 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 -0.037 55.3-153.0 -47.3 122.9 -3.5 47.8 -8.7 219 124 B T H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.859 97.6 54.2 -67.3 -30.2 -2.6 48.1 -5.0 220 125 B T H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 108.8 47.7 -68.0 -41.8 -6.0 46.6 -4.1 221 126 B V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 112.8 48.8 -63.7 -42.8 -5.3 43.6 -6.3 222 127 B K H X S+ 0 0 87 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.903 109.7 52.9 -63.0 -40.1 -1.8 43.3 -4.7 223 128 B A H X S+ 0 0 53 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 110.1 47.3 -60.6 -43.2 -3.4 43.5 -1.2 224 129 B A H X S+ 0 0 14 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 111.9 50.0 -64.8 -42.6 -5.8 40.7 -2.1 225 130 B C H X>S+ 0 0 3 -4,-2.5 5,-3.1 1,-0.2 4,-0.7 0.920 112.5 47.7 -64.2 -41.0 -3.0 38.5 -3.5 226 131 B W H ><5S+ 0 0 195 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.959 112.4 49.6 -56.5 -50.0 -1.0 39.2 -0.3 227 132 B W H 3<5S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.913 116.5 40.6 -57.9 -45.7 -4.0 38.4 1.9 228 133 B A H 3<5S- 0 0 7 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.382 113.4-109.8 -90.1 -0.0 -4.7 35.1 0.1 229 134 B G T <<5 + 0 0 57 -3,-1.1 2,-0.5 -4,-0.7 -3,-0.2 0.832 65.7 151.6 76.8 31.7 -1.1 33.9 -0.3 230 135 B I < - 0 0 13 -5,-3.1 2,-0.7 -6,-0.2 -1,-0.2 -0.858 46.4-136.1-105.8 133.1 -1.1 34.4 -4.1 231 136 B K E -i 207 0C 121 -25,-2.7 -23,-2.4 -2,-0.5 2,-0.5 -0.770 24.7-147.3 -78.3 111.6 2.0 35.2 -6.2 232 137 B Q E +i 208 0C 37 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.745 24.9 174.6 -87.4 120.3 0.8 37.9 -8.6 233 138 B E E -i 209 0C 74 -25,-3.0 -23,-2.3 -2,-0.5 2,-0.0 -0.775 32.9-101.7-119.8 167.6 2.5 37.7 -12.0 234 139 B D - 0 0 50 -2,-0.3 -1,-0.1 -25,-0.2 -23,-0.1 -0.203 24.7-131.0 -77.3 178.1 2.1 39.5 -15.3 235 140 B G + 0 0 29 -26,-0.2 -26,-0.1 -78,-0.0 -1,-0.1 0.151 48.4 149.7-119.8 17.5 0.2 37.8 -18.2 236 141 B I - 0 0 92 1,-0.1 2,-1.8 2,-0.1 3,-0.2 -0.339 48.3-132.9 -52.8 121.0 2.8 38.4 -20.9 237 142 B P + 0 0 54 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.481 35.7 167.9 -84.8 71.5 2.3 35.4 -23.3 238 143 B Y S S+ 0 0 180 -2,-1.8 3,-0.1 1,-0.1 -2,-0.1 0.780 78.2 61.5 -52.4 -29.2 6.0 34.4 -23.7 239 144 B N S > S- 0 0 89 -3,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.934 83.7-154.9 -93.3 111.6 4.3 31.4 -25.2 240 145 B P T >> S+ 0 0 87 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.745 87.7 72.7 -56.6 -27.0 2.4 32.8 -28.2 241 146 B Q H 3> S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.685 84.2 70.6 -64.3 -17.7 -0.1 29.9 -28.1 242 147 B S H <> S+ 0 0 47 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.907 91.4 53.5 -66.9 -47.3 -1.6 31.4 -24.9 243 148 B Q H <> S+ 0 0 99 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.2 0.903 112.0 48.5 -50.4 -44.4 -3.3 34.4 -26.5 244 149 B G H X S+ 0 0 28 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.872 107.2 52.5 -67.1 -42.4 -5.0 32.0 -28.9 245 150 B V H X S+ 0 0 102 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.898 113.3 45.5 -62.2 -40.8 -6.2 29.6 -26.2 246 151 B I H X S+ 0 0 42 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.899 112.9 48.5 -70.8 -44.5 -7.9 32.5 -24.3 247 152 B E H X S+ 0 0 131 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 113.1 49.1 -61.0 -43.2 -9.5 34.0 -27.4 248 153 B S H X S+ 0 0 72 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.943 111.4 50.0 -59.8 -48.1 -10.8 30.5 -28.3 249 154 B M H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.918 109.2 50.3 -57.0 -45.3 -12.1 30.2 -24.8 250 155 B N H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.901 111.8 48.6 -59.9 -42.3 -13.8 33.5 -24.9 251 156 B K H X S+ 0 0 169 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 112.6 47.9 -62.3 -45.5 -15.5 32.6 -28.2 252 157 B E H X S+ 0 0 40 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.943 112.6 48.8 -60.9 -47.3 -16.6 29.2 -26.8 253 158 B L H X S+ 0 0 11 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.931 111.0 49.7 -61.2 -43.8 -18.0 30.8 -23.7 254 159 B K H X S+ 0 0 79 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.874 109.4 53.2 -63.0 -37.4 -19.9 33.4 -25.7 255 160 B K H X S+ 0 0 140 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.947 110.7 45.6 -58.1 -50.5 -21.3 30.6 -27.9 256 161 B I H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.941 110.2 54.6 -61.2 -47.2 -22.6 28.7 -24.8 257 162 B I H X S+ 0 0 6 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.897 108.7 48.6 -51.3 -43.7 -24.0 31.9 -23.3 258 163 B G H < S+ 0 0 52 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.889 107.9 54.5 -67.7 -37.3 -26.0 32.5 -26.6 259 164 B Q H < S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 121.3 30.6 -63.8 -29.0 -27.3 28.8 -26.5 260 165 B V H >< S+ 0 0 4 -4,-1.8 3,-2.8 -3,-0.3 -1,-0.2 0.444 88.5 107.5-103.6 -2.9 -28.7 29.4 -23.0 261 166 B R G >< S+ 0 0 58 -4,-1.0 3,-1.2 -3,-0.3 9,-0.1 0.822 77.2 51.6 -54.1 -39.6 -29.4 33.2 -23.2 262 167 B D G 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.500 95.6 72.8 -74.3 -4.7 -33.2 32.8 -23.4 263 168 B Q G < S+ 0 0 92 -3,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.389 102.1 37.4 -92.3 4.4 -33.3 30.6 -20.2 264 169 B A < - 0 0 18 -3,-1.2 -1,-0.1 -4,-0.2 6,-0.0 -0.988 62.1-146.5-150.7 143.1 -32.5 33.5 -17.9 265 170 B E S S+ 0 0 157 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.921 87.5 60.6 -70.3 -47.8 -33.5 37.2 -17.6 266 171 B H S >> S- 0 0 88 1,-0.1 4,-1.3 4,-0.0 3,-0.6 -0.597 78.3-135.2 -92.3 140.3 -30.1 38.3 -16.2 267 172 B L H 3> S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.850 103.6 64.0 -55.1 -38.0 -26.8 37.9 -17.9 268 173 B K H 3> S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 101.0 51.4 -57.0 -40.2 -25.2 36.6 -14.7 269 174 B T H <> S+ 0 0 31 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.941 110.6 47.5 -59.7 -50.7 -27.5 33.5 -14.7 270 175 B A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.852 110.2 53.3 -57.6 -41.1 -26.6 32.7 -18.3 271 176 B V H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.928 109.5 47.6 -63.9 -45.6 -22.9 33.1 -17.5 272 177 B Q H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.847 110.8 51.9 -64.3 -34.4 -23.2 30.6 -14.6 273 178 B M H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.903 110.4 49.3 -62.9 -43.7 -25.0 28.2 -16.9 274 179 B A H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.890 108.5 51.8 -64.3 -39.7 -22.2 28.5 -19.4 275 180 B V H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.942 110.9 50.1 -57.3 -48.1 -19.5 27.9 -16.6 276 181 B F H X S+ 0 0 27 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.960 113.0 43.8 -56.7 -55.2 -21.5 24.7 -15.7 277 182 B I H X S+ 0 0 57 -4,-2.6 4,-1.2 1,-0.2 3,-0.2 0.934 114.7 50.7 -59.9 -45.0 -21.6 23.4 -19.3 278 183 B H H < S+ 0 0 17 -4,-2.9 10,-0.5 1,-0.2 3,-0.4 0.922 112.6 44.5 -57.4 -49.5 -17.9 24.3 -19.9 279 184 B N H < S+ 0 0 2 -4,-2.8 10,-2.4 1,-0.2 11,-0.4 0.721 117.4 44.6 -72.2 -23.1 -16.6 22.6 -16.8 280 185 B H H < S+ 0 0 77 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.569 82.4 119.6 -94.3 -14.3 -18.8 19.4 -17.3 281 186 B K < - 0 0 105 -4,-1.2 7,-0.5 -3,-0.4 2,-0.4 -0.413 64.4-132.0 -60.3 117.7 -18.1 19.1 -21.1 282 187 B R 0 0 150 -2,-0.3 5,-0.2 5,-0.2 -1,-0.1 -0.579 360.0 360.0 -74.4 122.6 -16.4 15.8 -21.7 283 188 B K 0 0 132 3,-2.4 3,-0.8 -2,-0.4 -1,-0.1 -0.844 360.0 360.0-109.4 360.0 -13.3 16.3 -23.9 284 ! 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 78 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 142.9 -12.2 11.5 -22.1 286 194 B Y - 0 0 124 -3,-0.8 -3,-2.4 -4,-0.1 2,-0.2 -0.767 360.0-120.0-119.1 159.3 -12.5 13.7 -19.0 287 195 B S > - 0 0 8 -2,-0.3 4,-2.4 -5,-0.2 -5,-0.2 -0.509 31.5-109.7 -89.0 166.0 -14.2 17.0 -18.2 288 196 B A H > S+ 0 0 1 -7,-0.5 4,-2.5 -10,-0.5 -110,-0.3 0.894 121.2 55.2 -61.9 -40.8 -12.3 20.1 -17.0 289 197 B G H > S+ 0 0 21 -10,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.875 110.1 46.0 -58.2 -39.3 -13.9 19.7 -13.6 290 198 B E H > S+ 0 0 36 -11,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.920 111.7 51.3 -67.6 -45.2 -12.6 16.1 -13.5 291 199 B R H X S+ 0 0 72 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.891 107.5 51.5 -61.7 -44.4 -9.1 17.2 -14.6 292 200 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.935 111.6 47.1 -60.9 -43.8 -8.7 20.0 -12.0 293 201 B V H X S+ 0 0 3 -4,-1.4 4,-3.1 -5,-0.2 5,-0.2 0.932 113.9 47.5 -63.3 -46.3 -9.6 17.6 -9.1 294 202 B D H X S+ 0 0 69 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.930 112.1 50.5 -58.8 -47.7 -7.2 14.8 -10.4 295 203 B I H X S+ 0 0 42 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.932 116.5 40.0 -59.4 -47.7 -4.4 17.4 -10.9 296 204 B I H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.899 114.3 51.5 -72.5 -39.9 -4.7 18.8 -7.4 297 205 B A H X S+ 0 0 8 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.932 109.6 51.4 -61.7 -43.2 -5.3 15.4 -5.6 298 206 B T H < S+ 0 0 90 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.926 110.4 50.5 -56.9 -43.8 -2.2 14.1 -7.3 299 207 B D H < S+ 0 0 105 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.897 107.8 51.4 -60.0 -46.0 -0.3 17.1 -6.0 300 208 B I H < 0 0 44 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.855 360.0 360.0 -61.3 -35.7 -1.6 16.7 -2.4 301 209 B Q < 0 0 131 -4,-1.8 -1,-0.0 -5,-0.2 -4,-0.0 -0.588 360.0 360.0 -79.7 360.0 -0.5 13.0 -2.3