==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/TRANSFERASE INHIBITOR 20-SEP-10 3AO3 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,S.J.HEADEY,M.W.PARKER,D.K.CHALMERS,M.J.SCANLON . 272 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 39.7 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 0 0 0 0 0 2 1 2 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 103 0, 0.0 3,-1.8 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 -55.6 2.4 9.4 13.2 2 58 A P T 3 + 0 0 31 0, 0.0 133,-0.1 0, 0.0 23,-0.1 0.680 360.0 51.0 -59.5 -20.1 0.1 8.8 10.0 3 59 A G T 3 S+ 0 0 12 51,-0.1 52,-2.1 49,-0.0 53,-1.8 0.202 86.1 112.2-101.6 10.6 -2.7 10.7 11.6 4 60 A I E < +a 56 0A 44 -3,-1.8 19,-1.7 51,-0.2 20,-0.5 -0.799 37.6 170.7 -99.9 124.4 -0.7 13.8 12.5 5 61 A W E -aB 57 22A 0 51,-2.4 53,-2.7 -2,-0.5 2,-0.4 -0.896 22.3-146.3-123.5 149.7 -1.4 17.2 10.8 6 62 A Q E -aB 58 21A 86 15,-2.2 15,-3.1 -2,-0.3 2,-0.5 -0.986 14.4-158.7-115.6 133.0 -0.1 20.7 11.5 7 63 A L E + B 0 20A 1 51,-2.8 2,-0.3 -2,-0.4 53,-0.3 -0.933 16.5 168.0-115.8 129.6 -2.4 23.6 10.8 8 64 A D E - B 0 19A 42 11,-2.7 11,-2.9 -2,-0.5 2,-0.3 -0.935 26.9-127.7-137.4 160.5 -1.2 27.2 10.2 9 65 A C E - B 0 18A 34 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.798 18.9-173.4-109.8 150.0 -2.6 30.5 9.0 10 66 A T E - B 0 17A 14 7,-2.0 7,-3.7 -2,-0.3 2,-0.4 -0.968 13.2-145.5-139.4 141.2 -1.1 32.7 6.2 11 67 A H E + B 0 16A 102 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.958 25.6 159.0-118.7 135.5 -2.3 36.1 5.3 12 68 A L E > - B 0 15A 48 3,-1.9 3,-2.6 -2,-0.4 -2,-0.1 -0.967 65.5 -4.9-155.4 133.4 -2.3 37.5 1.7 13 69 A E T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 91,-0.1 0.758 127.8 -54.6 57.2 28.5 -4.2 40.3 -0.0 14 70 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.586 117.6 102.8 88.0 4.8 -6.3 40.9 3.0 15 71 A K E < -B 12 0A 87 -3,-2.6 -3,-1.9 20,-0.0 2,-0.5 -0.745 67.5-118.8-125.7 171.2 -7.5 37.4 3.3 16 72 A V E -BC 11 33A 12 17,-1.2 17,-2.8 -2,-0.3 2,-0.5 -0.896 18.8-166.4-114.5 131.3 -6.7 34.4 5.5 17 73 A I E -BC 10 32A 1 -7,-3.7 -7,-2.0 -2,-0.5 2,-0.5 -0.975 6.5-157.0-111.8 128.8 -5.4 31.1 4.2 18 74 A L E -BC 9 31A 3 13,-2.4 13,-1.8 -2,-0.5 2,-0.5 -0.878 11.3-169.3 -98.1 134.4 -5.4 28.0 6.4 19 75 A V E -BC 8 30A 2 -11,-2.9 -11,-2.7 -2,-0.5 2,-0.5 -0.990 6.1-165.0-124.1 124.0 -2.9 25.4 5.4 20 76 A A E -BC 7 29A 0 9,-3.3 9,-2.1 -2,-0.5 2,-0.5 -0.938 9.3-163.7-107.1 127.4 -2.9 21.9 6.9 21 77 A V E -BC 6 28A 18 -15,-3.1 -15,-2.2 -2,-0.5 2,-0.9 -0.922 21.3-132.1-111.9 134.7 0.2 19.8 6.3 22 78 A H E >>> -BC 5 27A 0 5,-3.0 4,-3.1 -2,-0.5 3,-1.0 -0.758 25.0-147.6 -85.4 114.9 0.4 16.1 6.8 23 79 A V T 345S+ 0 0 76 -19,-1.7 -1,-0.2 -2,-0.9 -18,-0.1 0.834 88.2 47.8 -64.9 -38.8 3.5 16.0 8.9 24 80 A A T 345S+ 0 0 42 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.782 126.5 24.5 -76.0 -21.3 4.9 12.7 7.7 25 81 A S T <45S- 0 0 4 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.692 92.5-124.8-112.5 -26.1 4.4 13.3 3.9 26 82 A G T <5 + 0 0 5 -4,-3.1 101,-0.1 1,-0.3 -3,-0.1 0.471 58.2 150.5 84.8 1.3 4.4 17.1 3.4 27 83 A Y E < -C 22 0A 1 -5,-0.5 -5,-3.0 100,-0.3 2,-0.3 -0.432 29.7-155.1 -62.8 142.5 1.0 16.7 1.6 28 84 A I E -C 21 0A 2 -7,-0.2 2,-0.4 84,-0.2 -7,-0.2 -0.903 26.0-169.7-126.4 151.4 -1.2 19.8 2.0 29 85 A E E +C 20 0A 8 -9,-2.1 -9,-3.3 -2,-0.3 2,-0.3 -0.973 24.9 172.3-124.5 140.5 -4.8 20.9 2.0 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.985 10.9 179.6-149.7 147.6 -5.4 24.7 2.0 31 87 A E E -C 18 0A 26 -13,-1.8 -13,-2.4 -2,-0.3 2,-0.4 -0.980 30.2-122.9-146.7 149.9 -8.3 27.1 1.7 32 88 A V E -C 17 0A 34 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.775 36.2-165.9 -86.6 131.1 -8.9 30.8 1.7 33 89 A I E -C 16 0A 7 -17,-2.8 -17,-1.2 -2,-0.4 3,-0.1 -0.910 28.1-122.7-121.1 154.0 -11.4 31.6 4.4 34 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.868 91.1 -5.2 -63.6 -41.3 -13.4 34.9 5.0 35 91 A A S S- 0 0 42 2,-0.1 2,-2.0 -20,-0.1 5,-0.1 -0.992 70.7-108.3-151.7 155.2 -12.1 35.4 8.5 36 92 A E + 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 28,-0.0 -0.490 69.9 139.9 -79.5 70.6 -9.9 33.5 11.1 37 93 A T > - 0 0 61 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.689 68.0-109.9-113.2 166.3 -12.8 32.7 13.4 38 94 A G H > S+ 0 0 22 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.894 116.6 55.3 -62.9 -42.4 -13.8 29.7 15.4 39 95 A Q H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 112.6 41.3 -57.1 -46.0 -16.7 28.9 13.0 40 96 A E H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.851 114.9 51.2 -71.6 -36.7 -14.5 28.8 9.9 41 97 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.928 111.1 48.3 -64.0 -45.5 -11.7 27.0 11.6 42 98 A A H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.918 112.0 49.3 -59.4 -47.6 -14.1 24.3 12.9 43 99 A Y H X S+ 0 0 23 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.929 110.7 50.1 -61.3 -45.2 -15.6 24.0 9.4 44 100 A F H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.935 112.3 47.9 -56.1 -45.6 -12.1 23.6 7.8 45 101 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.909 110.1 52.1 -65.6 -40.3 -11.2 20.9 10.4 46 102 A L H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.916 111.8 47.0 -60.1 -45.8 -14.5 19.0 9.8 47 103 A K H X S+ 0 0 9 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.927 112.8 47.5 -59.5 -49.7 -13.7 19.0 6.1 48 104 A L H >X S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.2 4,-1.4 0.936 111.8 51.2 -59.0 -45.9 -10.1 17.9 6.5 49 105 A A H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.737 104.5 56.5 -66.7 -28.4 -11.2 15.1 8.9 50 106 A G H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.608 113.7 41.3 -74.0 -11.3 -13.9 13.7 6.5 51 107 A R H << S+ 0 0 9 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.1 0.668 122.3 20.3-110.2 -25.4 -11.2 13.3 3.8 52 108 A W S < S- 0 0 7 -4,-1.4 2,-0.8 -49,-0.0 -1,-0.2 -0.953 90.6 -90.7-144.4 155.5 -8.1 11.9 5.6 53 109 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.613 48.5-176.9 -74.8 105.1 -7.6 10.1 9.0 54 110 A V + 0 0 13 -2,-0.8 -50,-0.1 -5,-0.3 3,-0.1 -0.954 19.2 156.6-108.1 116.8 -6.9 13.0 11.3 55 111 A K + 0 0 72 -52,-2.1 25,-2.7 -2,-0.6 2,-0.4 0.799 69.8 14.1-102.3 -42.2 -6.1 11.9 14.8 56 112 A T E -ad 4 80A 15 -53,-1.8 -51,-2.4 23,-0.2 2,-0.5 -0.998 59.7-162.8-140.8 138.6 -4.1 14.9 16.1 57 113 A V E -ad 5 81A 3 23,-2.0 25,-0.6 -2,-0.4 2,-0.6 -0.987 11.3-149.8-123.6 127.9 -3.7 18.5 14.8 58 114 A H E +a 6 0A 61 -53,-2.7 -51,-2.8 -2,-0.5 2,-0.2 -0.899 29.1 173.2 -95.1 123.4 -0.9 20.7 16.0 59 115 A T - 0 0 18 -2,-0.6 -51,-0.1 -53,-0.2 -53,-0.0 -0.630 50.3-102.9-120.6-178.2 -2.0 24.3 15.9 60 116 A D - 0 0 71 -53,-0.3 -52,-0.1 -2,-0.2 -2,-0.0 0.391 51.9-130.2 -85.3 -0.4 -0.7 27.8 17.0 61 117 A N + 0 0 109 1,-0.1 20,-0.0 2,-0.0 -1,-0.0 0.667 54.9 154.1 62.5 20.8 -3.2 27.4 19.9 62 118 A G > - 0 0 25 1,-0.1 3,-2.4 3,-0.1 4,-0.3 0.057 60.9 -73.6 -79.7-170.8 -4.5 30.9 19.1 63 119 A S G > S+ 0 0 99 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.704 124.0 61.9 -59.2 -31.4 -7.9 32.7 19.7 64 120 A N G 3 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 6,-0.2 0.569 102.2 53.5 -76.6 -7.1 -9.8 30.7 17.0 65 121 A F G < S+ 0 0 21 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.438 93.8 69.6 -95.6 -5.3 -9.1 27.4 18.8 66 122 A T S < S+ 0 0 116 -3,-1.1 -2,-0.1 -4,-0.3 -1,-0.1 0.584 78.9 96.6 -93.2 -9.4 -10.5 28.4 22.2 67 123 A G S > S- 0 0 34 -4,-0.3 4,-1.5 -3,-0.1 5,-0.2 -0.191 81.5-110.1 -90.0 171.5 -14.3 28.6 21.4 68 124 A A H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 111.4 56.5 -66.1 -36.9 -17.2 26.2 21.8 69 125 A T H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 108.9 43.2 -67.9 -48.0 -17.6 25.6 18.1 70 126 A V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.871 114.4 51.0 -62.6 -43.3 -14.1 24.4 17.3 71 127 A R H X S+ 0 0 191 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.907 110.4 48.6 -63.1 -40.5 -14.0 22.2 20.4 72 128 A A H X S+ 0 0 55 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.911 111.0 51.6 -67.4 -36.6 -17.3 20.6 19.5 73 129 A A H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.954 111.7 45.6 -67.3 -40.2 -16.1 19.9 16.0 74 130 A C H X>S+ 0 0 13 -4,-2.5 5,-3.5 2,-0.2 4,-0.7 0.871 114.6 48.3 -67.5 -39.3 -12.8 18.3 17.1 75 131 A D H ><5S+ 0 0 127 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.961 112.5 48.6 -62.4 -51.3 -14.7 16.2 19.7 76 132 A W H 3<5S+ 0 0 88 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.883 116.2 43.0 -58.0 -44.4 -17.3 15.1 17.1 77 133 A A H 3<5S- 0 0 11 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.563 113.6-116.0 -85.8 -4.8 -14.6 14.2 14.6 78 134 A G T <<5 + 0 0 55 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.832 62.2 149.3 77.6 32.2 -12.4 12.5 17.1 79 135 A I < - 0 0 14 -5,-3.5 2,-0.4 -6,-0.2 -1,-0.3 -0.882 34.4-152.2-105.3 130.0 -9.5 14.9 16.8 80 136 A K E -d 56 0A 115 -25,-2.7 -23,-2.0 -2,-0.5 2,-1.0 -0.777 11.9-138.9 -92.4 137.2 -7.2 15.7 19.7 81 137 A Q E d 57 0A 66 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.1 -0.792 360.0 360.0 -98.0 99.4 -5.4 19.1 19.8 82 138 A E 0 0 143 -2,-1.0 -24,-0.2 -25,-0.6 -1,-0.2 0.564 360.0 360.0-104.6 360.0 -1.9 18.3 21.0 83 ! 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 84 152 A E 0 0 172 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -35.9 7.4 28.6 7.3 85 153 A S >> + 0 0 81 2,-0.2 4,-1.8 3,-0.1 3,-1.6 0.948 360.0 24.2 -78.5 -76.2 9.4 26.2 5.0 86 154 A M H >> S+ 0 0 64 1,-0.2 4,-3.5 2,-0.2 3,-0.5 0.959 119.8 63.9 -43.9 -57.4 6.5 24.8 2.9 87 155 A N H 3> S+ 0 0 19 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.616 106.2 43.1 -52.2 -17.1 4.5 28.0 3.7 88 156 A K H <> S+ 0 0 153 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.3 0.810 113.7 49.1 -92.7 -41.5 7.1 30.1 1.8 89 157 A E H X S+ 0 0 6 -4,-1.9 3,-2.0 -3,-0.2 4,-0.5 0.534 90.0 102.8-102.9 -5.1 0.4 31.5 -10.7 98 166 A R G >< S+ 0 0 59 -4,-1.7 3,-1.2 -3,-0.4 -1,-0.1 0.816 78.8 52.0 -49.3 -41.4 -1.3 34.6 -9.3 99 167 A D G 34 S+ 0 0 139 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.593 101.7 61.1 -76.4 -11.5 -1.8 36.3 -12.7 100 168 A Q G <4 S+ 0 0 113 -3,-2.0 2,-0.5 -4,-0.0 -1,-0.3 0.570 99.1 68.5 -88.7 -9.8 -3.5 33.3 -14.2 101 169 A A << - 0 0 8 -3,-1.2 3,-0.1 -4,-0.5 -1,-0.0 -0.915 63.8-156.8-114.2 135.0 -6.2 33.5 -11.7 102 170 A E S S+ 0 0 145 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.952 86.4 42.8 -64.2 -46.6 -8.9 36.1 -11.4 103 171 A H S >> S- 0 0 70 1,-0.1 4,-1.6 -3,-0.1 3,-0.9 -0.787 77.4-130.4-111.5 147.2 -9.3 35.2 -7.6 104 172 A L H 3> S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.872 107.8 62.2 -57.9 -41.6 -6.8 34.4 -4.9 105 173 A K H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.858 104.3 49.2 -56.5 -33.0 -8.8 31.2 -4.0 106 174 A T H <> S+ 0 0 28 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.924 109.7 49.3 -70.8 -46.4 -8.1 29.9 -7.5 107 175 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.879 108.8 54.9 -59.6 -38.7 -4.4 30.6 -7.3 108 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.929 109.5 46.2 -61.9 -43.8 -4.3 28.9 -3.8 109 177 A Q H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.841 109.5 52.4 -72.7 -29.2 -5.8 25.7 -5.2 110 178 A M H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.888 110.7 50.4 -66.2 -37.4 -3.5 25.6 -8.2 111 179 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.894 109.1 51.0 -68.0 -38.9 -0.6 26.0 -5.7 112 180 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -84,-0.2 0.941 110.7 48.8 -59.4 -46.7 -2.0 23.1 -3.7 113 181 A F H X S+ 0 0 28 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.959 114.1 45.7 -57.0 -50.5 -2.2 21.0 -6.9 114 182 A I H X S+ 0 0 45 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.940 112.9 49.7 -64.4 -44.3 1.4 21.8 -7.8 115 183 A H H < S+ 0 0 12 -4,-2.9 12,-0.5 1,-0.2 -1,-0.2 0.924 114.5 43.7 -58.0 -45.6 2.7 21.2 -4.3 116 184 A N H < S+ 0 0 5 -4,-2.6 12,-2.2 -5,-0.2 13,-0.4 0.701 119.8 40.9 -75.1 -22.2 1.1 17.8 -4.0 117 185 A H H < S+ 0 0 56 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.650 82.0 115.6 -99.9 -20.6 1.9 16.6 -7.5 118 186 A K < - 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0 0 2 -5,-0.5 -5,-3.0 97,-0.3 2,-0.3 -0.462 30.8-153.0 -65.5 143.2 -15.0 7.5 -1.4 169 84 B I E -G 162 0B 1 -7,-0.2 2,-0.4 84,-0.2 -7,-0.2 -0.891 25.2-169.3-125.1 146.5 -16.6 11.0 -1.8 170 85 B E E +G 161 0B 9 -9,-2.1 -9,-3.3 -2,-0.3 2,-0.3 -0.981 25.3 174.3-117.9 136.6 -15.7 14.7 -1.9 171 86 B A E +G 160 0B 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.991 11.2 178.8-143.8 151.5 -18.7 17.0 -1.8 172 87 B E E -G 159 0B 17 -13,-1.8 -13,-2.4 -2,-0.3 2,-0.4 -0.986 29.7-125.5-148.6 143.8 -19.2 20.8 -1.5 173 88 B V E -G 158 0B 32 -2,-0.3 -15,-0.3 -15,-0.2 3,-0.0 -0.762 35.5-164.3 -84.2 133.8 -22.2 23.1 -1.5 174 89 B I E -G 157 0B 10 -17,-3.0 -17,-1.2 -2,-0.4 3,-0.1 -0.915 27.5-121.0-121.7 155.3 -21.6 25.7 -4.3 175 90 B P S S- 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.861 91.3 -8.0 -62.7 -41.3 -23.4 29.0 -4.8 176 91 B A S S- 0 0 45 -20,-0.1 2,-2.2 2,-0.1 5,-0.2 -0.987 72.5-104.7-156.8 153.1 -24.7 28.1 -8.3 177 92 B E S S+ 0 0 59 -2,-0.3 2,-0.2 -3,-0.1 -19,-0.0 -0.471 70.0 143.8 -80.4 69.8 -24.2 25.3 -10.9 178 93 B T > - 0 0 59 -2,-2.2 4,-2.0 1,-0.1 5,-0.2 -0.682 65.5-112.7-108.2 165.1 -21.9 27.5 -13.1 179 94 B G H > S+ 0 0 24 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 116.0 53.6 -61.5 -44.8 -18.9 26.8 -15.2 180 95 B Q H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.6 42.4 -61.1 -39.5 -16.7 28.9 -12.9 181 96 B E H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.817 113.5 52.4 -75.7 -34.3 -17.7 27.0 -9.8 182 97 B T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 109.9 48.7 -64.6 -43.6 -17.5 23.6 -11.5 183 98 B A H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 111.3 50.2 -60.4 -47.3 -14.0 24.4 -12.7 184 99 B Y H X S+ 0 0 20 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.921 110.0 50.0 -57.3 -46.6 -13.0 25.5 -9.2 185 100 B F H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.917 112.9 47.2 -57.0 -44.4 -14.4 22.2 -7.7 186 101 B L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.906 110.0 52.6 -71.2 -37.5 -12.5 20.1 -10.3 187 102 B L H X S+ 0 0 12 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.928 112.1 46.4 -60.4 -45.3 -9.3 22.1 -9.6 188 103 B K H X S+ 0 0 22 -4,-2.6 4,-0.5 2,-0.2 3,-0.2 0.930 113.0 48.1 -64.0 -45.9 -9.6 21.4 -5.9 189 104 B L H >X S+ 0 0 4 -4,-2.7 3,-1.7 1,-0.2 4,-1.6 0.942 110.9 51.2 -59.0 -45.6 -10.4 17.7 -6.4 190 105 B A H 3< S+ 0 0 2 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.734 105.5 55.9 -69.1 -24.4 -7.5 17.2 -8.8 191 106 B G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.621 113.2 41.4 -77.4 -10.9 -5.0 18.8 -6.4 192 107 B R H << S+ 0 0 10 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.715 123.0 20.8-109.5 -28.9 -6.0 16.4 -3.6 193 108 B W S < S- 0 0 5 -4,-1.6 2,-1.2 -49,-0.0 -1,-0.3 -0.933 91.1 -92.9-142.9 154.0 -6.2 13.0 -5.4 194 109 B P - 0 0 44 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.613 48.9-176.0 -77.7 97.1 -4.8 11.7 -8.8 195 110 B V + 0 0 3 -2,-1.2 -50,-0.2 -5,-0.3 3,-0.1 -0.869 19.9 156.8 -99.6 114.4 -7.8 12.5 -11.1 196 111 B K + 0 0 110 -52,-2.3 25,-2.7 -2,-0.6 2,-0.4 0.799 68.8 16.1-104.4 -37.4 -7.3 11.3 -14.7 197 112 B T E -eh 145 221B 13 -53,-1.9 -51,-2.5 23,-0.2 2,-0.5 -1.000 59.8-162.8-139.7 138.1 -10.9 11.0 -16.0 198 113 B V E -eh 146 222B 2 23,-2.1 25,-1.0 -2,-0.4 2,-0.6 -0.988 10.8-149.9-121.4 126.3 -14.1 12.5 -14.7 199 114 B H E +e 147 0B 50 -53,-2.9 -51,-2.7 -2,-0.5 2,-0.2 -0.872 29.9 173.4 -91.9 125.0 -17.5 11.1 -15.8 200 115 B T - 0 0 18 -2,-0.6 -51,-0.1 -53,-0.2 23,-0.0 -0.714 50.3-104.0-123.7 176.5 -20.0 13.9 -15.7 201 116 B D - 0 0 72 -53,-0.4 -52,-0.1 -2,-0.2 -2,-0.0 0.415 50.8-130.2 -80.5 0.8 -23.6 14.5 -16.8 202 117 B N + 0 0 111 1,-0.1 -1,-0.1 3,-0.0 4,-0.1 0.632 55.4 152.0 61.7 20.4 -22.2 16.5 -19.8 203 118 B G > - 0 0 24 1,-0.1 3,-2.4 2,-0.1 4,-0.2 0.069 62.0 -74.0 -80.3-170.7 -24.6 19.4 -19.0 204 119 B S G > S+ 0 0 98 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.698 123.2 63.3 -59.3 -32.1 -24.3 23.2 -19.5 205 120 B N G 3 S+ 0 0 7 1,-0.2 -1,-0.3 2,-0.1 -23,-0.1 0.486 102.3 53.4 -75.6 -1.1 -21.7 23.9 -16.8 206 121 B F G < S+ 0 0 23 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.397 93.5 69.2-103.0 -1.9 -19.2 21.7 -18.7 207 122 B T S < S+ 0 0 117 -3,-1.2 -2,-0.1 -4,-0.2 -1,-0.1 0.545 78.8 96.0 -96.8 -7.5 -19.3 23.3 -22.1 208 123 B G S > S- 0 0 33 -4,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.218 81.6-110.9 -91.4 171.9 -17.6 26.7 -21.3 209 124 B A H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.842 110.4 57.2 -71.4 -31.9 -14.0 27.8 -21.6 210 125 B T H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 109.7 43.7 -69.8 -46.4 -13.2 28.0 -17.9 211 126 B V H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 115.0 50.0 -64.0 -43.1 -14.1 24.4 -17.2 212 127 B R H X S+ 0 0 197 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.946 111.2 47.8 -57.3 -49.1 -12.3 23.3 -20.3 213 128 B A H X S+ 0 0 54 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.891 111.3 52.9 -62.9 -38.8 -9.1 25.3 -19.4 214 129 B A H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.946 111.2 44.1 -66.4 -43.9 -9.3 23.9 -15.8 215 130 B C H X>S+ 0 0 12 -4,-2.5 5,-3.2 2,-0.2 4,-0.8 0.878 115.2 49.1 -63.9 -42.1 -9.4 20.3 -16.9 216 131 B D H ><5S+ 0 0 125 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.958 112.3 48.1 -60.0 -51.8 -6.7 20.8 -19.5 217 132 B W H 3<5S+ 0 0 88 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.877 116.3 43.5 -56.8 -45.7 -4.4 22.6 -17.0 218 133 B A H 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.545 113.8-116.4 -80.9 -9.9 -5.0 19.8 -14.4 219 134 B G T <<5 + 0 0 51 -3,-0.8 2,-0.4 -4,-0.8 -3,-0.2 0.779 62.0 149.8 84.8 22.1 -4.6 17.0 -16.9 220 135 B I < - 0 0 13 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.3 -0.801 31.4-156.4 -96.7 135.9 -8.1 15.7 -16.6 221 136 B K E -h 197 0B 105 -25,-2.7 -23,-2.1 -2,-0.4 2,-0.2 -0.801 12.4-136.6 -99.5 140.8 -10.0 14.0 -19.5 222 137 B Q E h 198 0B 62 -2,-0.4 -23,-0.2 -25,-0.2 0, 0.0 -0.650 360.0 360.0 -83.1 158.7 -13.8 13.8 -19.7 223 138 B E 0 0 143 -25,-1.0 -24,-0.2 -2,-0.2 -1,-0.1 0.243 360.0 360.0-155.7 360.0 -15.2 10.4 -20.8 224 ! 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 0.0 225 152 B E > 0 0 115 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 64.9 -27.7 6.8 -7.2 226 153 B S T 4 + 0 0 103 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.562 360.0 36.6 -85.7 -13.6 -26.7 4.2 -4.6 227 154 B M T > S+ 0 0 59 3,-0.1 4,-2.8 2,-0.1 5,-0.2 0.697 110.1 67.7 -93.8 -32.7 -24.5 6.6 -2.7 228 155 B N H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.809 100.1 40.8 -68.4 -40.2 -26.8 9.5 -3.3 229 156 B K H X S+ 0 0 157 -4,-1.3 4,-3.4 2,-0.2 -1,-0.2 0.895 115.4 54.6 -72.3 -39.1 -29.9 8.6 -1.3 230 157 B E H > S+ 0 0 60 -5,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.926 110.5 45.7 -51.9 -50.8 -27.6 7.3 1.5 231 158 B L H X S+ 0 0 6 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.927 113.3 48.9 -63.5 -44.4 -25.9 10.7 1.5 232 159 B K H X S+ 0 0 66 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 112.3 49.5 -55.8 -48.7 -29.2 12.5 1.4 233 160 B K H X S+ 0 0 57 -4,-3.4 4,-3.1 2,-0.2 -2,-0.2 0.915 111.9 47.4 -52.9 -50.5 -30.3 10.3 4.3 234 161 B I H X S+ 0 0 13 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.933 110.8 51.9 -61.0 -46.6 -27.1 11.0 6.3 235 162 B I H X S+ 0 0 7 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.927 111.4 48.2 -53.9 -44.2 -27.6 14.8 5.6 236 163 B G H >< S+ 0 0 50 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.953 108.8 53.6 -63.6 -46.3 -31.2 14.4 7.0 237 164 B Q H 3< S+ 0 0 144 -4,-3.1 -1,-0.2 1,-0.2 3,-0.2 0.862 121.5 29.8 -53.6 -39.0 -29.9 12.5 10.0 238 165 B V H >< S+ 0 0 6 -4,-2.2 3,-2.0 1,-0.2 4,-0.4 0.517 89.3 100.4-103.8 -2.5 -27.4 15.4 10.9 239 166 B R G X< S+ 0 0 62 -4,-1.5 3,-1.3 -3,-0.5 -1,-0.2 0.841 78.1 57.6 -53.2 -37.9 -29.3 18.4 9.5 240 167 B D G 3 S+ 0 0 137 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.642 98.3 60.9 -67.5 -17.6 -30.6 19.4 12.9 241 168 B Q G < S+ 0 0 111 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.2 0.492 100.0 61.8 -94.7 -2.9 -27.1 19.7 14.5 242 169 B A < - 0 0 14 -3,-1.3 -1,-0.0 -4,-0.4 6,-0.0 -0.977 64.9-148.9-127.6 143.2 -25.9 22.3 12.1 243 170 B E S S+ 0 0 153 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.956 86.0 47.2 -59.2 -49.9 -27.0 25.8 11.4 244 171 B H S >> S- 0 0 72 1,-0.1 4,-1.7 0, 0.0 3,-0.8 -0.712 75.1-130.9-111.8 146.6 -25.9 25.7 7.8 245 172 B L H 3> S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.876 106.9 61.7 -58.1 -39.2 -26.4 23.1 5.0 246 173 B K H 3> S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 103.8 49.2 -60.7 -31.9 -22.7 23.2 4.1 247 174 B T H <> S+ 0 0 34 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.943 110.1 49.9 -70.8 -45.4 -21.8 21.9 7.6 248 175 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.877 108.7 54.0 -59.4 -38.2 -24.3 19.1 7.4 249 176 B V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.935 109.6 46.8 -61.9 -47.1 -22.9 18.2 4.0 250 177 B Q H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.814 109.6 52.6 -67.3 -33.1 -19.4 17.9 5.4 251 178 B M H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.905 109.6 50.8 -62.9 -41.1 -20.5 15.9 8.4 252 179 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.893 108.5 51.5 -64.0 -39.6 -22.2 13.5 5.9 253 180 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -84,-0.2 0.936 110.3 49.3 -58.3 -44.4 -18.9 13.2 3.9 254 181 B F H X S+ 0 0 26 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.949 113.7 45.8 -59.9 -49.1 -17.1 12.4 7.1 255 182 B I H X S+ 0 0 44 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.949 113.3 48.9 -64.1 -48.3 -19.7 9.7 8.0 256 183 B H H < S+ 0 0 11 -4,-2.9 9,-0.5 1,-0.2 -1,-0.2 0.926 115.3 43.3 -54.6 -47.3 -19.8 8.2 4.5 257 184 B N H < S+ 0 0 4 -4,-2.5 9,-2.2 1,-0.2 10,-0.4 0.698 119.3 41.6 -75.9 -21.9 -16.0 8.0 4.2 258 185 B H H < S+ 0 0 77 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.628 83.2 114.9 -98.7 -19.7 -15.3 6.6 7.7 259 186 B K < 0 0 140 -4,-1.9 6,-0.4 -5,-0.2 7,-0.1 -0.320 360.0 360.0 -60.7 132.8 -18.2 4.1 8.0 260 187 B R 0 0 179 4,-0.1 4,-0.2 5,-0.1 -2,-0.0 -0.974 360.0 360.0-127.5 360.0 -16.9 0.5 8.2 261 ! 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 0.0 262 193 B G 0 0 91 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -41.3 -14.6 -4.7 6.4 263 194 B Y - 0 0 146 -4,-0.0 2,-0.1 -3,-0.0 -5,-0.0 -0.875 360.0-121.1-117.5 153.9 -12.9 -1.5 5.2 264 195 B S > - 0 0 11 -2,-0.3 4,-2.5 -4,-0.2 5,-0.2 -0.499 32.8-106.3 -81.1 167.6 -14.2 2.1 5.0 265 196 B A H > S+ 0 0 2 -9,-0.5 4,-2.8 -6,-0.4 -97,-0.3 0.886 124.1 55.8 -59.8 -34.4 -14.3 4.0 1.6 266 197 B G H > S+ 0 0 20 -9,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.931 109.5 43.5 -65.1 -47.5 -11.3 6.0 3.0 267 198 B E H > S+ 0 0 28 -10,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.905 113.2 53.6 -61.2 -40.6 -9.3 2.8 3.6 268 199 B R H X S+ 0 0 104 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.924 107.5 49.2 -63.3 -45.3 -10.4 1.4 0.1 269 200 B I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.902 113.2 46.3 -66.0 -38.4 -9.3 4.5 -1.9 270 201 B V H X S+ 0 0 4 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.938 113.3 48.8 -67.0 -43.0 -5.9 4.6 -0.2 271 202 B D H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.945 113.1 49.0 -60.4 -47.0 -5.4 0.8 -0.7 272 203 B I H X S+ 0 0 47 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.938 115.5 41.5 -56.2 -47.2 -6.4 1.1 -4.3 273 204 B I H X S+ 0 0 9 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.906 113.9 51.6 -73.1 -40.3 -4.1 4.0 -5.1 274 205 B A H < S+ 0 0 22 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.921 107.4 54.3 -59.3 -45.5 -1.1 2.6 -3.1 275 206 B T H < S+ 0 0 106 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.922 107.6 51.0 -53.6 -44.7 -1.5 -0.6 -5.0 276 207 B D H < 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 360.0 360.0 -62.1 -41.7 -1.3 1.4 -8.3 277 208 B I < 0 0 85 -4,-2.0 -3,-0.0 -3,-0.1 -148,-0.0 -0.191 360.0 360.0 -61.8 360.0 2.0 3.2 -7.2