==== 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/TRANSFERASE INHIBITOR 20-MAR-12 3VQ4 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,D.K.CHALMERS,M.W.PARKER,M.J.SCANLON . 284 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 13.0 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 . 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 0 0 0 1 2 0 1 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 1 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 . 1 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 0 113 0, 0.0 24,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 118.4 18.6 14.9 25.8 2 57 A S > - 0 0 37 1,-0.1 3,-1.2 2,-0.1 23,-0.4 -0.144 360.0-117.1 -45.8 152.7 19.0 18.8 26.1 3 58 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 139,-0.1 0.513 113.5 59.0 -66.0 -11.7 17.3 20.9 23.4 4 59 A G T 3 S+ 0 0 6 51,-0.1 52,-2.2 49,-0.1 53,-2.1 0.265 78.6 110.4-102.5 5.0 20.9 22.1 22.5 5 60 A I E < +a 57 0A 25 -3,-1.2 19,-1.6 51,-0.2 20,-0.4 -0.780 40.5 180.0 -97.7 123.2 22.5 18.8 21.6 6 61 A W E -aB 58 23A 0 51,-2.6 53,-3.4 -2,-0.6 2,-0.5 -0.900 17.5-150.2-117.4 142.5 23.5 17.8 18.1 7 62 A Q E -aB 59 22A 26 15,-3.0 15,-3.0 -2,-0.4 2,-0.4 -0.946 14.2-157.3-107.2 126.5 25.2 14.7 16.6 8 63 A L E + B 0 21A 2 51,-3.1 53,-0.3 -2,-0.5 2,-0.3 -0.861 19.2 164.6-104.1 134.0 27.3 15.2 13.5 9 64 A D E - B 0 20A 32 11,-3.1 11,-2.8 -2,-0.4 2,-0.3 -0.953 24.0-135.2-138.7 167.9 28.1 12.3 11.1 10 65 A C E - B 0 19A 28 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.871 13.5-171.1-124.4 150.5 29.4 12.0 7.6 11 66 A T E - B 0 18A 11 7,-2.4 7,-3.5 -2,-0.3 2,-0.4 -0.984 11.3-148.1-140.5 147.5 28.3 9.9 4.7 12 67 A H E + B 0 17A 97 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.935 23.0 164.1-119.0 130.3 29.9 9.3 1.3 13 68 A L E > - B 0 16A 43 3,-1.8 3,-2.0 -2,-0.4 -2,-0.1 -0.970 67.9 -1.6-151.3 132.1 27.9 8.7 -1.8 14 69 A E T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 96,-0.1 0.800 128.1 -59.6 58.7 30.3 29.0 8.8 -5.4 15 70 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.570 116.3 109.5 76.7 8.6 32.5 9.9 -4.3 16 71 A K E < -B 13 0A 87 -3,-2.0 -3,-1.8 20,-0.0 2,-0.4 -0.721 67.1-117.5-112.9 164.5 31.2 13.0 -2.6 17 72 A V E -BC 12 34A 11 17,-1.1 17,-2.5 -2,-0.2 2,-0.6 -0.895 17.8-166.4-106.6 132.1 30.9 13.9 1.2 18 73 A I E -BC 11 33A 0 -7,-3.5 -7,-2.4 -2,-0.4 2,-0.5 -0.975 8.0-157.7-113.5 113.5 27.6 14.6 3.0 19 74 A L E -BC 10 32A 4 13,-2.6 13,-1.9 -2,-0.6 2,-0.4 -0.888 14.7-168.2 -83.4 127.7 27.9 16.3 6.4 20 75 A V E -BC 9 31A 1 -11,-2.8 -11,-3.1 -2,-0.5 2,-0.5 -0.971 12.2-165.9-125.8 125.5 24.8 15.6 8.4 21 76 A A E -BC 8 30A 0 9,-2.8 9,-1.9 -2,-0.4 2,-0.5 -0.982 12.1-163.4-105.7 122.2 23.8 17.3 11.8 22 77 A V E -BC 7 29A 0 -15,-3.0 -15,-3.0 -2,-0.5 2,-0.9 -0.922 20.6-135.4-112.1 126.7 21.0 15.6 13.8 23 78 A H E >> -B 6 0A 0 5,-3.0 4,-2.8 -2,-0.5 3,-1.4 -0.762 23.7-150.2 -73.3 103.7 19.1 17.3 16.5 24 79 A V T 34 S+ 0 0 43 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.862 86.6 48.9 -58.3 -39.6 19.2 14.3 18.9 25 80 A A T 34 S+ 0 0 40 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.699 125.6 25.0 -68.9 -28.4 15.9 15.0 20.8 26 81 A S T <4 S- 0 0 3 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.650 94.3-122.1-114.4 -26.0 13.8 15.5 17.7 27 82 A G < + 0 0 11 -4,-2.8 2,-0.2 1,-0.3 107,-0.1 0.384 58.9 152.1 85.5 -2.6 15.4 13.6 14.7 28 83 A Y - 0 0 3 -5,-0.4 -5,-3.0 106,-0.3 2,-0.3 -0.407 27.8-155.2 -58.8 135.3 15.6 16.9 12.8 29 84 A I E -C 22 0A 2 -7,-0.2 2,-0.4 89,-0.2 -7,-0.2 -0.839 24.7-172.0-123.7 149.3 18.4 17.1 10.2 30 85 A E E +C 21 0A 10 -9,-1.9 -9,-2.8 -2,-0.3 2,-0.3 -0.976 23.3 173.7-121.1 137.0 20.6 19.5 8.4 31 86 A A E +C 20 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.994 11.0 177.7-150.5 147.5 22.8 18.2 5.6 32 87 A E E -C 19 0A 17 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.5 -0.981 29.7-123.1-145.2 147.4 25.2 19.5 3.0 33 88 A V E -C 18 0A 36 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.831 35.2-173.4 -86.4 127.3 27.5 18.1 0.3 34 89 A I E -C 17 0A 9 -17,-2.5 -17,-1.1 -2,-0.5 3,-0.1 -0.823 32.5-121.1-118.5 156.8 30.9 19.4 0.9 35 90 A P S S- 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.937 88.6 -14.1 -62.6 -37.2 34.0 18.9 -1.3 36 91 A A S S- 0 0 44 -20,-0.1 2,-2.8 2,-0.1 5,-0.2 -0.974 72.2 -97.8-167.4 145.9 36.2 17.2 1.4 37 92 A E + 0 0 58 -2,-0.3 2,-0.2 -3,-0.1 28,-0.1 -0.399 67.8 149.6 -73.6 68.2 36.2 16.6 5.2 38 93 A T > - 0 0 55 -2,-2.8 4,-2.3 1,-0.1 5,-0.2 -0.663 59.6-115.6 -92.9 158.3 38.6 19.6 5.8 39 94 A G H > S+ 0 0 8 -2,-0.2 4,-3.2 2,-0.2 5,-0.3 0.887 117.1 53.1 -53.6 -41.9 38.7 21.8 9.0 40 95 A Q H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 112.3 43.4 -70.1 -43.8 37.7 24.8 7.0 41 96 A E H > S+ 0 0 47 2,-0.2 4,-2.1 -5,-0.2 -1,-0.2 0.866 116.9 46.8 -64.7 -38.7 34.6 23.0 5.5 42 97 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 112.4 50.2 -70.6 -48.3 33.6 21.5 8.9 43 98 A A H X S+ 0 0 8 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.902 110.7 49.2 -51.0 -46.0 34.1 24.8 10.7 44 99 A Y H X S+ 0 0 19 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.945 109.3 52.0 -67.0 -41.5 31.9 26.6 8.1 45 100 A F H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.869 112.6 46.1 -54.8 -48.7 29.1 23.9 8.4 46 101 A L H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.890 109.8 52.6 -64.2 -41.5 29.1 24.4 12.2 47 102 A L H X S+ 0 0 15 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.906 112.3 47.3 -61.1 -46.1 29.1 28.2 12.0 48 103 A K H X S+ 0 0 19 -4,-2.5 4,-1.1 2,-0.2 3,-0.4 0.959 113.0 47.0 -56.4 -54.4 26.1 28.0 9.7 49 104 A L H >X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 3,-1.1 0.918 111.5 50.6 -54.6 -50.2 24.2 25.5 11.8 50 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.765 107.0 55.9 -63.5 -25.8 24.9 27.5 15.1 51 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.747 113.5 40.9 -77.4 -20.2 23.6 30.7 13.4 52 107 A R H << S+ 0 0 11 -3,-1.1 -2,-0.2 -4,-1.1 -1,-0.1 0.768 124.6 17.7 -99.1 -28.9 20.3 28.9 12.5 53 108 A W S < S- 0 0 5 -4,-1.7 2,-1.2 -49,-0.0 -1,-0.1 -0.842 91.4 -91.7-139.0 157.6 19.4 26.9 15.7 54 109 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.685 46.4-173.1 -86.2 95.6 20.7 27.2 19.3 55 110 A V + 0 0 13 -2,-1.2 -50,-0.2 -5,-0.3 3,-0.1 -0.733 19.9 159.8 -94.1 116.5 23.6 24.7 19.4 56 111 A K + 0 0 79 -52,-2.2 25,-3.3 -2,-0.6 2,-0.4 0.785 69.0 16.8-101.3 -44.2 25.1 24.1 22.9 57 112 A T E -ad 5 81A 4 -53,-2.1 -51,-2.6 23,-0.2 2,-0.4 -0.984 58.1-162.9-135.7 143.7 26.9 20.8 22.3 58 113 A V E -ad 6 82A 1 23,-2.3 25,-3.3 -2,-0.4 2,-0.5 -0.996 9.3-154.1-126.2 126.3 28.0 18.8 19.3 59 114 A H E -ad 7 83A 25 -53,-3.4 -51,-3.1 -2,-0.4 2,-0.3 -0.933 24.1-176.8 -94.7 134.7 28.8 15.2 19.6 60 115 A T E - d 0 84A 2 23,-1.7 25,-2.2 -2,-0.5 26,-0.5 -0.798 39.9-115.5-127.0 164.7 31.3 14.1 16.8 61 116 A D - 0 0 72 -53,-0.3 23,-0.1 -2,-0.3 -52,-0.1 0.327 53.1-113.8 -81.4 6.1 33.0 11.0 15.6 62 117 A N + 0 0 90 1,-0.2 22,-0.1 21,-0.1 5,-0.0 0.684 56.1 169.3 62.7 20.3 36.4 12.4 16.4 63 118 A G > - 0 0 20 1,-0.1 3,-1.9 3,-0.1 4,-0.3 -0.179 51.8-104.8 -50.9 150.2 37.4 12.5 12.7 64 119 A S G >> S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 4,-0.7 0.784 118.3 69.1 -53.1 -29.5 40.7 14.3 11.9 65 120 A N G 34 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.779 97.2 52.1 -62.7 -22.8 38.5 17.2 10.6 66 121 A F G <4 S+ 0 0 11 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.509 98.5 63.1 -89.7 -9.2 37.4 18.0 14.1 67 122 A T T <4 S+ 0 0 95 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.619 79.2 119.1 -90.2 -14.5 40.9 18.2 15.5 68 123 A S S X S- 0 0 23 -4,-0.7 4,-1.6 -3,-0.2 3,-0.4 -0.171 71.1-133.4 -50.1 135.3 41.5 21.1 13.2 69 124 A T H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.862 105.9 58.8 -58.2 -37.8 42.4 24.3 15.0 70 125 A T H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.840 103.2 51.1 -59.5 -38.8 39.8 26.2 12.8 71 126 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.2 -1,-0.2 0.896 111.6 47.7 -66.5 -44.7 36.9 24.0 14.1 72 127 A K H X S+ 0 0 127 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.935 110.5 51.7 -61.5 -45.5 37.9 24.6 17.7 73 128 A A H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 111.0 49.1 -56.2 -40.9 38.2 28.3 17.0 74 129 A A H X S+ 0 0 22 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 111.0 47.8 -66.1 -45.7 34.6 28.2 15.5 75 130 A C H X>S+ 0 0 2 -4,-2.4 5,-2.8 2,-0.2 4,-0.9 0.864 112.0 51.3 -61.4 -41.9 33.1 26.3 18.4 76 131 A D H ><5S+ 0 0 104 -4,-2.4 3,-0.6 -5,-0.2 -1,-0.2 0.943 111.8 46.2 -60.5 -47.3 34.7 28.7 20.8 77 132 A W H 3<5S+ 0 0 99 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.895 117.7 42.5 -60.3 -46.0 33.3 31.8 18.9 78 133 A A H 3<5S- 0 0 12 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.483 111.8-117.7 -84.5 -7.7 29.9 30.3 18.7 79 134 A G T <<5 + 0 0 55 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.2 0.852 62.5 148.3 74.3 38.2 29.9 29.0 22.3 80 135 A I < - 0 0 9 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.3 -0.888 42.5-139.7-105.1 131.0 29.5 25.4 21.3 81 136 A K E -d 57 0A 117 -25,-3.3 -23,-2.3 -2,-0.5 2,-0.5 -0.838 14.9-147.6 -92.1 127.7 31.0 22.6 23.3 82 137 A Q E -d 58 0A 45 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.752 12.2-171.2 -93.7 121.1 32.6 19.9 21.2 83 138 A E E > -d 59 0A 56 -25,-3.3 -23,-1.7 -2,-0.5 3,-0.6 -0.934 13.3-160.8-116.3 99.2 32.4 16.4 22.6 84 139 A D E 3 +d 60 0A 53 -2,-0.5 -23,-0.2 1,-0.2 -25,-0.1 -0.681 69.7 4.7 -85.1 133.3 34.5 14.1 20.4 85 140 A G T 3 S+ 0 0 49 -25,-2.2 -1,-0.2 -2,-0.4 -24,-0.1 0.596 92.6 128.3 80.0 9.3 34.1 10.3 20.5 86 141 A I < 0 0 80 -3,-0.6 -1,-0.2 -26,-0.5 -3,-0.1 -0.864 360.0 360.0-105.3 101.2 31.0 10.6 22.8 87 142 A P 0 0 146 0, 0.0 -27,-0.0 0, 0.0 -3,-0.0 -0.567 360.0 360.0 -76.6 360.0 28.1 8.6 21.3 88 ! 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 89 151 A I > 0 0 74 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -14.9 21.0 7.8 14.2 90 152 A E H > + 0 0 182 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.713 360.0 53.9 -83.3 -32.4 23.3 5.3 12.4 91 153 A S H > S+ 0 0 88 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.304 100.7 66.2 -71.5 2.1 20.0 4.2 11.1 92 154 A M H > S+ 0 0 26 2,-0.2 4,-2.8 3,-0.1 5,-0.3 0.885 99.6 43.7 -86.1 -56.8 19.8 7.9 10.2 93 155 A N H X S+ 0 0 25 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.840 117.7 49.8 -55.6 -31.8 22.6 7.9 7.6 94 156 A K H X S+ 0 0 165 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.921 111.2 49.1 -63.5 -49.2 20.9 4.6 6.5 95 157 A E H X S+ 0 0 41 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.882 108.8 50.2 -59.5 -45.2 17.5 6.5 6.4 96 158 A L H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.886 108.4 53.1 -66.8 -43.9 18.8 9.5 4.4 97 159 A K H X S+ 0 0 86 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.876 107.1 52.7 -61.0 -37.3 20.3 7.2 1.7 98 160 A K H X S+ 0 0 121 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.974 113.4 42.8 -58.4 -47.6 17.0 5.4 1.3 99 161 A I H X S+ 0 0 4 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.890 107.5 59.3 -71.2 -38.4 15.2 8.7 0.7 100 162 A I H >X S+ 0 0 4 -4,-2.7 4,-1.5 1,-0.2 3,-0.7 0.867 104.1 53.9 -53.9 -42.5 17.9 10.0 -1.5 101 163 A G H 3< S+ 0 0 52 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.861 102.9 56.0 -57.8 -40.7 17.2 6.9 -3.8 102 164 A Q H 3< S+ 0 0 105 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 121.7 27.6 -65.4 -20.5 13.5 7.8 -4.0 103 165 A V H X< S+ 0 0 5 -4,-0.9 3,-2.4 -3,-0.7 4,-0.3 0.557 91.1 98.7-116.9 -7.3 14.3 11.3 -5.3 104 166 A R G >< S+ 0 0 62 -4,-1.5 3,-1.2 1,-0.3 -3,-0.1 0.815 80.1 57.0 -56.5 -37.4 17.6 10.7 -7.1 105 167 A D G 3 S+ 0 0 143 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.585 101.7 56.7 -71.9 -9.0 16.0 10.4 -10.5 106 168 A Q G < S+ 0 0 107 -3,-2.4 2,-0.4 7,-0.0 -1,-0.2 0.401 99.1 69.9 -94.0 -2.3 14.4 13.9 -10.3 107 169 A A < - 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0 0 62 -2,-2.4 4,-2.7 1,-0.1 5,-0.2 -0.426 52.4-119.4 -90.2 160.3 21.8 31.9 -11.2 184 94 B G H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 118.9 51.6 -55.2 -46.5 18.4 30.2 -11.6 185 95 B Q H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 110.2 46.2 -54.9 -49.8 20.2 27.0 -10.4 186 96 B E H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 114.2 49.5 -61.5 -43.4 21.7 28.7 -7.2 187 97 B T H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.893 110.4 49.0 -60.1 -46.0 18.4 30.3 -6.5 188 98 B A H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.890 112.5 48.3 -62.1 -42.9 16.5 27.0 -6.8 189 99 B Y H X S+ 0 0 25 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.879 109.1 52.2 -64.0 -44.5 18.9 25.2 -4.6 190 100 B F H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.908 111.3 50.1 -59.9 -43.2 18.8 28.0 -1.9 191 101 B L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.882 109.2 47.9 -64.5 -41.5 15.0 27.7 -2.0 192 102 B L H X S+ 0 0 11 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.866 112.6 50.5 -66.1 -39.8 14.9 23.8 -1.5 193 103 B K H >X S+ 0 0 17 -4,-1.9 4,-0.8 2,-0.2 3,-0.6 0.964 112.5 46.3 -60.8 -49.6 17.5 24.1 1.4 194 104 B L H >X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 3,-1.0 0.922 110.8 53.2 -60.2 -46.8 15.3 26.8 3.1 195 105 B A H 3< S+ 0 0 2 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.734 105.3 52.5 -64.5 -24.4 12.1 24.8 2.6 196 106 B G H << S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.617 115.8 43.4 -82.0 -14.8 13.4 21.5 4.2 197 107 B R H << S+ 0 0 12 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.1 0.700 122.8 20.2 -98.3 -36.2 14.4 23.6 7.3 198 108 B W S < S- 0 0 7 -4,-1.9 2,-1.6 -49,-0.0 -1,-0.2 -0.961 88.4 -95.5-138.3 154.9 11.4 25.9 7.9 199 109 B P - 0 0 60 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.539 47.3-173.3 -78.7 88.3 7.7 25.8 6.8 200 110 B V + 0 0 15 -2,-1.6 -50,-0.2 -5,-0.3 3,-0.1 -0.703 20.9 157.7 -91.0 114.6 7.9 28.0 3.7 201 111 B K + 0 0 163 -52,-2.2 25,-2.6 -2,-0.6 2,-0.4 0.864 68.0 14.0 -98.2 -49.3 4.4 28.8 2.2 202 112 B T E -fi 150 226C 15 -53,-2.1 -51,-2.3 23,-0.2 2,-0.4 -0.995 58.2-161.2-135.0 135.9 5.2 32.0 0.2 203 113 B V E -fi 151 227C 1 23,-2.3 25,-1.9 -2,-0.4 2,-0.5 -0.960 8.3-153.8-116.9 136.3 8.2 33.8 -0.9 204 114 B H E +fi 152 228C 43 -53,-2.3 -51,-2.7 -2,-0.4 25,-0.2 -0.941 28.2 168.2-107.3 125.3 8.3 37.4 -2.0 205 115 B T - 0 0 7 23,-2.7 -51,-0.1 -2,-0.5 2,-0.1 -0.706 36.3 -96.3-131.5 175.8 11.1 38.2 -4.4 206 116 B D - 0 0 48 -2,-0.2 -1,-0.1 -53,-0.2 5,-0.1 -0.210 51.1 -94.8 -79.4-177.8 12.3 40.9 -6.8 207 117 B N S S+ 0 0 151 -2,-0.1 5,-0.1 22,-0.1 -1,-0.1 0.258 72.4 149.0 -82.8 14.3 11.5 40.7 -10.6 208 118 B G >> - 0 0 13 1,-0.1 3,-0.8 3,-0.1 4,-0.5 -0.052 57.5-127.7 -59.7 149.3 14.8 38.9 -11.4 209 119 B S H >> S+ 0 0 102 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.769 105.8 69.6 -66.2 -25.5 15.1 36.5 -14.2 210 120 B N H >4 S+ 0 0 12 1,-0.2 3,-0.8 2,-0.2 6,-0.3 0.898 97.0 52.0 -57.4 -35.5 16.5 33.9 -11.8 211 121 B F H <4 S+ 0 0 4 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.713 108.1 49.9 -77.5 -17.2 13.1 33.6 -10.0 212 122 B T H << S+ 0 0 87 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.420 84.1 121.7-100.5 0.2 11.2 32.9 -13.2 213 123 B S S S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.858 115.6 53.9 -62.3 -38.0 12.2 26.6 -15.1 215 125 B T H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 109.5 46.8 -65.8 -46.3 14.5 25.1 -12.4 216 126 B V H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.922 114.5 48.3 -55.0 -43.2 13.2 27.7 -9.8 217 127 B K H X S+ 0 0 99 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 110.8 50.0 -66.9 -38.2 9.6 26.8 -11.0 218 128 B A H X S+ 0 0 60 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.936 113.3 47.0 -61.5 -46.6 10.4 23.0 -10.7 219 129 B A H X S+ 0 0 8 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.924 112.9 48.0 -65.1 -44.1 11.8 23.5 -7.2 220 130 B C H X>S+ 0 0 5 -4,-2.6 5,-2.1 2,-0.2 4,-1.4 0.935 112.5 49.2 -62.8 -43.2 8.8 25.7 -6.0 221 131 B D H <5S+ 0 0 140 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.953 115.3 43.8 -60.9 -47.7 6.3 23.2 -7.4 222 132 B W H <5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 119.1 41.3 -65.8 -42.6 8.0 20.3 -5.7 223 133 B A H <5S- 0 0 10 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.535 111.3-116.9 -85.2 -12.2 8.5 22.0 -2.3 224 134 B G T <5 + 0 0 56 -4,-1.4 2,-0.5 -3,-0.5 -3,-0.2 0.799 59.4 152.8 78.7 33.2 5.1 23.7 -2.3 225 135 B I < - 0 0 11 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.820 35.3-149.9-101.1 126.8 6.2 27.3 -2.4 226 136 B K E -i 202 0C 109 -25,-2.6 -23,-2.3 -2,-0.5 2,-0.3 -0.850 18.4-148.7 -88.5 127.8 4.1 30.0 -4.0 227 137 B Q E +i 203 0C 56 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.774 24.4 157.7 -98.5 150.4 6.1 32.8 -5.5 228 138 B E E i 204 0C 63 -25,-1.9 -23,-2.7 -2,-0.3 -26,-0.0 -0.944 360.0 360.0-153.2 168.2 5.2 36.4 -5.7 229 139 B D 0 0 129 -2,-0.3 -25,-0.1 -25,-0.2 -22,-0.1 -0.354 360.0 360.0-125.0 360.0 6.5 40.0 -6.1 230 ! 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 0.0 231 152 B E >> 0 0 162 0, 0.0 4,-4.1 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0 -50.5 15.7 46.3 4.2 232 153 B S H >5 + 0 0 97 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.970 360.0 33.3 -43.0 -61.0 15.5 47.2 7.8 233 154 B M H >5S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.713 121.8 53.1 -67.0 -22.8 16.9 43.7 8.6 234 155 B N H >5S+ 0 0 23 2,-0.2 4,-2.1 3,-0.1 -2,-0.2 0.817 108.0 43.8 -89.7 -36.5 19.0 43.8 5.4 235 156 B K H X5S+ 0 0 161 -4,-4.1 4,-2.6 2,-0.2 5,-0.2 0.926 114.5 55.8 -68.0 -45.6 20.9 47.1 5.7 236 157 B E H XX S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 3,-0.7 0.950 109.2 45.1 -52.2 -49.8 29.0 42.2 7.9 242 163 B G H 3X S+ 0 0 51 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.907 107.8 56.9 -57.4 -46.6 31.1 45.4 8.1 243 164 B Q H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.740 125.8 20.6 -57.8 -24.7 31.5 45.2 11.8 244 165 B V H X< S+ 0 0 7 -4,-1.5 3,-2.2 -3,-0.7 4,-0.2 0.489 92.3 99.8-120.4 -10.0 33.0 41.7 11.5 245 166 B R H >< S+ 0 0 53 -4,-2.2 3,-1.3 1,-0.3 -3,-0.1 0.834 82.7 58.8 -54.4 -37.2 34.3 41.5 7.9 246 167 B D T 3< S+ 0 0 124 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.829 94.0 67.2 -50.9 -38.4 37.8 42.3 9.3 247 168 B Q T < S+ 0 0 114 -3,-2.2 2,-0.3 7,-0.0 -1,-0.2 0.425 99.0 52.9 -77.5 0.9 37.6 39.2 11.5 248 169 B A < - 0 0 18 -3,-1.3 6,-0.0 -4,-0.2 -4,-0.0 -0.970 68.1-133.4-142.1 151.6 37.7 36.6 8.7 249 170 B E S S+ 0 0 116 -2,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.997 91.6 37.8 -58.4 -68.1 39.6 35.5 5.6 250 171 B H S > S- 0 0 116 1,-0.1 4,-1.5 4,-0.0 3,-0.4 -0.529 76.6-126.3 -97.9 154.5 36.6 35.0 3.2 251 172 B L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.859 108.4 62.2 -58.3 -40.7 33.4 37.0 2.9 252 173 B K H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 102.8 50.6 -65.6 -27.0 31.3 33.9 3.3 253 174 B T H > S+ 0 0 32 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.938 111.3 46.3 -70.6 -47.5 32.7 33.4 6.8 254 175 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.863 110.1 56.9 -63.1 -37.6 31.9 37.0 7.8 255 176 B V H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.939 109.0 43.0 -60.0 -48.8 28.4 36.6 6.3 256 177 B Q H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.801 111.6 55.8 -68.1 -29.2 27.5 33.5 8.5 257 178 B M H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 108.5 49.0 -62.0 -40.6 29.1 35.3 11.5 258 179 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.868 109.6 49.6 -65.1 -42.6 26.7 38.2 10.7 259 180 B V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -85,-0.2 0.894 111.5 51.0 -57.2 -47.4 23.7 35.8 10.4 260 181 B F H X S+ 0 0 28 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.951 112.4 45.5 -58.5 -49.4 24.7 34.2 13.8 261 182 B I H X S+ 0 0 48 -4,-2.5 4,-1.1 1,-0.2 3,-0.2 0.926 115.6 46.6 -60.4 -48.9 24.9 37.7 15.4 262 183 B H H < S+ 0 0 9 -4,-2.6 13,-0.6 1,-0.2 3,-0.5 0.904 114.2 46.1 -60.3 -45.5 21.6 38.9 13.9 263 184 B N H < S+ 0 0 4 -4,-2.5 13,-2.0 1,-0.2 14,-0.3 0.739 117.1 43.3 -79.2 -23.2 19.6 35.8 14.8 264 185 B H H < S+ 0 0 81 -4,-1.8 2,-0.4 -3,-0.2 -1,-0.2 0.529 85.7 111.1 -91.9 -13.5 21.0 35.6 18.4 265 186 B K < - 0 0 127 -4,-1.1 10,-0.5 -3,-0.5 2,-0.2 -0.565 65.5-131.3 -80.0 124.9 20.7 39.3 19.4 266 187 B R - 0 0 143 -2,-0.4 2,-0.5 8,-0.2 8,-0.3 -0.441 17.7-143.9 -68.3 129.0 18.1 40.1 22.0 267 188 B K B -J 273 0D 153 6,-2.7 6,-0.9 -2,-0.2 2,-0.1 -0.887 63.1 -2.6 -96.2 133.3 15.9 43.1 20.9 268 189 B G S S- 0 0 54 -2,-0.5 3,-0.1 4,-0.2 -2,-0.0 -0.374 97.0 -52.0 84.6-170.3 14.9 45.4 23.7 269 190 B G S > S- 0 0 47 1,-0.2 3,-2.3 -2,-0.1 2,-0.5 0.237 89.3 -34.9 -81.9-155.1 15.6 45.1 27.4 270 191 B I T 3 S+ 0 0 187 1,-0.3 -1,-0.2 -4,-0.0 3,-0.1 -0.687 134.1 44.0 -71.4 124.8 15.1 42.4 29.9 271 192 B G T 3 S+ 0 0 64 -2,-0.5 -1,-0.3 1,-0.3 -3,-0.0 0.080 93.2 124.3 110.8 -13.3 11.9 40.8 28.7 272 193 B G < - 0 0 24 -3,-2.3 2,-0.3 -6,-0.0 -1,-0.3 -0.000 47.8-142.5 -71.6-178.2 13.1 40.9 25.1 273 194 B Y B -J 267 0D 83 -6,-0.9 -6,-2.7 -8,-0.1 2,-0.2 -0.942 11.6-125.8-142.2 147.4 13.5 38.2 22.4 274 195 B S > - 0 0 9 -2,-0.3 4,-2.4 -8,-0.3 -8,-0.2 -0.536 35.4-108.9 -84.8 166.9 16.1 37.4 19.6 275 196 B A H > S+ 0 0 3 -13,-0.6 4,-2.4 -10,-0.5 -102,-0.3 0.914 122.0 55.7 -65.7 -40.5 14.8 36.9 16.1 276 197 B G H > S+ 0 0 19 -13,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.886 107.4 47.4 -50.1 -53.4 15.6 33.2 16.5 277 198 B E H > S+ 0 0 78 -14,-0.3 4,-2.1 2,-0.2 -132,-0.2 0.914 110.7 53.4 -53.4 -46.9 13.4 33.0 19.6 278 199 B R H X S+ 0 0 53 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.911 107.6 49.1 -62.8 -44.5 10.6 34.8 17.8 279 200 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.944 112.7 46.7 -62.1 -48.7 10.5 32.4 14.7 280 201 B V H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.914 115.2 47.4 -59.9 -39.4 10.4 29.2 16.9 281 202 B D H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.909 111.3 50.9 -67.3 -45.9 7.7 30.8 19.1 282 203 B I H X S+ 0 0 49 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.960 116.9 39.7 -53.5 -51.6 5.6 31.9 16.1 283 204 B I H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.864 114.3 51.4 -71.2 -40.6 5.8 28.4 14.5 284 205 B A H < S+ 0 0 20 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 110.8 49.8 -61.0 -46.8 5.3 26.4 17.7 285 206 B T H < S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.923 108.9 53.1 -54.1 -51.7 2.2 28.6 18.6 286 207 B D H < 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.862 360.0 360.0 -50.2 -41.8 0.8 27.9 15.1 287 208 B I < 0 0 88 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.937 360.0 360.0 -77.5 360.0 1.2 24.2 15.6