==== 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 3VQ8 . 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 . 269 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 11.9 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 . 3 1.1 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 39.8 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 0 0 0 0 0 0 3 0 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 . 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 0 109 0, 0.0 3,-1.6 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 136.5 -9.3 26.1 12.8 2 58 A P T 3 + 0 0 26 0, 0.0 131,-0.1 0, 0.0 23,-0.1 0.656 360.0 51.6 -60.6 -23.4 -7.7 24.0 9.9 3 59 A G T 3 S+ 0 0 8 51,-0.1 52,-2.3 19,-0.0 53,-2.0 0.353 84.8 108.7 -97.6 9.7 -8.0 20.7 11.7 4 60 A I E < +a 56 0A 38 -3,-1.6 19,-1.6 51,-0.2 20,-0.4 -0.753 39.3 169.6-100.1 122.4 -11.7 20.9 12.6 5 61 A W E -aB 57 22A 0 51,-2.2 53,-2.6 -2,-0.5 2,-0.5 -0.914 23.2-144.0-125.0 153.8 -14.2 18.6 10.8 6 62 A Q E -aB 58 21A 74 15,-2.7 15,-3.1 -2,-0.3 2,-0.5 -0.985 13.5-161.4-117.8 130.4 -17.9 17.9 11.4 7 63 A L E + B 0 20A 3 51,-2.7 2,-0.3 -2,-0.5 53,-0.3 -0.950 16.9 164.1-113.0 127.9 -19.3 14.4 10.8 8 64 A D E - B 0 19A 50 11,-2.4 11,-3.2 -2,-0.5 2,-0.3 -0.946 27.4-128.3-136.6 160.1 -22.9 13.7 10.4 9 65 A C E - B 0 18A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.781 19.6-176.3-106.8 154.7 -25.0 10.9 9.1 10 66 A T E - B 0 17A 13 7,-2.6 7,-2.9 -2,-0.3 2,-0.4 -0.972 14.5-141.5-144.4 150.2 -27.8 11.0 6.5 11 67 A H E + B 0 16A 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.949 23.2 163.5-120.6 140.0 -30.0 8.3 5.2 12 68 A L E > - B 0 15A 45 3,-2.0 3,-2.4 -2,-0.4 -2,-0.0 -0.972 67.4 -5.9-152.3 132.4 -31.3 7.7 1.7 13 69 A E T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 91,-0.1 0.804 126.7 -54.8 57.8 28.4 -32.9 4.7 0.0 14 70 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.556 117.3 106.0 84.8 1.7 -32.4 2.4 3.1 15 71 A K E < -B 12 0A 95 -3,-2.4 -3,-2.0 20,-0.0 2,-0.5 -0.755 66.8-122.3-117.2 167.8 -28.7 3.1 3.2 16 72 A V E -BC 11 33A 12 17,-1.1 17,-2.6 -2,-0.3 2,-0.5 -0.882 19.4-166.4-112.3 130.9 -26.5 5.2 5.4 17 73 A I E -BC 10 32A 1 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.5 -0.969 8.0-153.2-115.9 133.9 -24.2 8.0 4.2 18 74 A L E -BC 9 31A 3 13,-2.1 13,-2.0 -2,-0.5 2,-0.5 -0.821 12.9-167.2 -97.2 128.5 -21.5 9.5 6.4 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.4 -2,-0.5 2,-0.5 -0.981 4.7-168.7-124.8 115.8 -20.7 13.1 5.5 20 76 A A E -BC 7 29A 0 9,-3.5 9,-2.2 -2,-0.5 2,-0.5 -0.933 7.8-166.5-102.4 126.1 -17.5 14.8 6.8 21 77 A V E -BC 6 28A 23 -15,-3.1 -15,-2.7 -2,-0.5 2,-0.8 -0.939 22.5-134.6-116.2 134.0 -17.2 18.6 6.4 22 78 A H E >> -B 5 0A 0 5,-3.1 4,-3.0 -2,-0.5 3,-1.0 -0.798 25.9-147.8 -85.7 118.5 -14.2 20.6 6.8 23 79 A V T 34 S+ 0 0 79 -19,-1.6 -1,-0.2 -2,-0.8 -18,-0.1 0.841 86.8 45.5 -71.3 -36.6 -15.7 23.4 8.8 24 80 A A T 34 S+ 0 0 51 -20,-0.4 -1,-0.3 -23,-0.4 -19,-0.1 0.697 126.7 27.2 -77.5 -23.3 -13.6 26.3 7.7 25 81 A S T <4 S- 0 0 4 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.673 93.3-127.4-107.2 -27.4 -13.7 25.5 3.9 26 82 A G < + 0 0 12 -4,-3.0 -3,-0.1 1,-0.3 99,-0.1 0.420 56.0 150.3 79.6 4.1 -17.0 23.6 3.4 27 83 A Y - 0 0 2 -5,-0.5 -5,-3.1 98,-0.3 2,-0.4 -0.399 30.0-153.6 -61.1 142.1 -15.0 20.7 1.6 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.4 84,-0.2 -7,-0.2 -0.939 25.1-169.9-127.3 146.8 -16.6 17.3 2.0 29 85 A E E +C 20 0A 10 -9,-2.2 -9,-3.5 -2,-0.4 2,-0.3 -0.996 25.7 172.0-120.7 133.0 -15.7 13.7 2.1 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.983 11.3 178.1-143.9 152.6 -18.6 11.4 2.0 31 87 A E E -C 18 0A 26 -13,-2.0 -13,-2.1 -2,-0.3 2,-0.3 -0.981 30.4-122.9-148.3 145.2 -19.3 7.6 1.7 32 88 A V E -C 17 0A 33 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.706 35.5-168.4 -81.7 135.0 -22.2 5.2 1.7 33 89 A I E -C 16 0A 11 -17,-2.6 -17,-1.1 -2,-0.3 3,-0.1 -0.903 28.8-121.4-126.4 155.6 -21.6 2.6 4.5 34 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.851 90.4 -4.2 -70.3 -32.7 -23.5 -0.7 5.0 35 91 A A S S- 0 0 41 2,-0.1 2,-2.1 -20,-0.1 5,-0.2 -0.987 71.5-107.5-159.2 153.0 -24.6 0.2 8.5 36 92 A E + 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 28,-0.1 -0.403 68.7 139.6 -83.3 69.5 -24.2 2.9 11.1 37 93 A T > - 0 0 61 -2,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.645 67.8-108.7-108.9 169.1 -21.9 0.8 13.4 38 94 A G H > S+ 0 0 24 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.914 117.9 52.7 -60.7 -49.2 -18.9 1.4 15.5 39 95 A Q H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 112.9 43.0 -55.9 -46.4 -16.7 -0.6 13.1 40 96 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 114.4 50.7 -69.2 -33.7 -17.8 1.3 10.0 41 97 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 109.9 49.9 -70.9 -46.0 -17.6 4.7 11.7 42 98 A A H X S+ 0 0 6 -4,-3.2 4,-2.7 -5,-0.2 -2,-0.2 0.901 111.6 49.3 -54.3 -44.0 -14.0 3.9 12.9 43 99 A Y H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.901 110.0 50.1 -68.3 -38.4 -12.9 2.9 9.4 44 100 A F H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.896 111.9 48.1 -62.7 -43.7 -14.4 6.0 7.9 45 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 110.8 51.8 -61.7 -41.0 -12.5 8.2 10.5 46 102 A L H X S+ 0 0 13 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.911 112.0 46.2 -62.4 -43.9 -9.2 6.2 9.8 47 103 A K H X S+ 0 0 14 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.898 113.8 48.5 -65.9 -47.0 -9.6 6.9 6.1 48 104 A L H >X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 3,-1.3 0.941 111.8 48.2 -58.7 -48.6 -10.4 10.6 6.6 49 105 A A H 3< S+ 0 0 1 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.695 105.6 59.5 -70.0 -21.5 -7.5 11.2 9.0 50 106 A G H 3< S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.644 113.6 38.5 -76.4 -15.6 -5.1 9.4 6.5 51 107 A R H << S+ 0 0 10 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.716 123.2 23.4-109.6 -25.3 -5.9 12.0 3.9 52 108 A W S < S- 0 0 5 -4,-1.6 2,-1.6 -49,-0.0 -1,-0.2 -0.949 89.8 -95.2-142.3 151.0 -6.3 15.4 5.7 53 109 A P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.521 47.7-174.4 -74.1 87.4 -4.9 16.6 9.0 54 110 A V + 0 0 11 -2,-1.6 -50,-0.2 -5,-0.3 3,-0.1 -0.694 20.5 157.0 -91.5 107.9 -7.8 15.9 11.3 55 111 A K + 0 0 71 -52,-2.3 25,-2.9 -2,-0.6 2,-0.4 0.789 69.5 18.0 -93.5 -43.1 -7.3 17.2 14.9 56 112 A T E -ad 4 80A 15 -53,-2.0 -51,-2.2 23,-0.2 2,-0.4 -0.995 59.7-165.1-135.9 136.4 -10.9 17.5 16.1 57 113 A V E -ad 5 81A 1 23,-2.4 25,-0.7 -2,-0.4 2,-0.5 -0.984 11.2-151.3-121.6 127.2 -14.2 15.9 14.8 58 114 A H E +a 6 0A 56 -53,-2.6 -51,-2.7 -2,-0.4 2,-0.2 -0.927 29.2 173.9 -93.2 120.3 -17.6 17.3 16.0 59 115 A T - 0 0 13 -2,-0.5 -51,-0.1 23,-0.2 23,-0.0 -0.637 49.7-106.2-120.4 176.2 -20.0 14.3 15.9 60 116 A D - 0 0 72 -53,-0.3 -52,-0.1 -2,-0.2 -2,-0.0 0.452 49.5-131.1 -83.7 5.5 -23.6 13.8 16.9 61 117 A N + 0 0 108 1,-0.1 4,-0.0 3,-0.0 20,-0.0 0.576 54.6 150.7 55.9 22.8 -22.2 11.7 19.9 62 118 A G > - 0 0 25 2,-0.1 3,-2.5 3,-0.1 4,-0.4 0.232 62.4 -68.6 -80.7-167.2 -24.6 8.9 19.1 63 119 A S G > S+ 0 0 95 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.792 124.5 60.8 -60.7 -33.3 -24.4 5.1 19.6 64 120 A N G 3 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.1 -22,-0.1 0.491 102.1 55.7 -77.4 1.7 -21.7 4.4 17.0 65 121 A F G < S+ 0 0 24 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.474 91.9 71.4-102.7 -3.9 -19.2 6.7 18.9 66 122 A T S < S+ 0 0 116 -3,-1.2 -2,-0.1 -4,-0.4 -1,-0.1 0.565 79.2 95.0 -94.9 -2.0 -19.4 5.0 22.2 67 123 A G S > S- 0 0 33 -4,-0.2 4,-1.5 -3,-0.1 5,-0.1 -0.293 80.4-109.0 -99.5 178.5 -17.5 1.7 21.5 68 124 A A H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.849 111.7 54.0 -71.8 -39.3 -14.0 0.3 21.8 69 125 A T H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 110.6 43.8 -70.9 -46.2 -13.2 0.2 18.1 70 126 A V H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 113.9 51.0 -56.5 -46.5 -14.0 3.9 17.4 71 127 A R H X S+ 0 0 189 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.937 111.4 49.2 -56.3 -46.6 -12.2 5.0 20.6 72 128 A A H X S+ 0 0 51 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.852 110.7 49.8 -62.7 -39.1 -9.2 3.0 19.5 73 129 A A H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 112.4 45.8 -72.7 -41.6 -9.2 4.5 16.0 74 130 A C H X>S+ 0 0 12 -4,-2.3 5,-2.5 2,-0.2 4,-1.0 0.927 114.4 49.1 -64.0 -38.4 -9.5 8.1 17.2 75 131 A D H ><5S+ 0 0 125 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.978 113.1 47.0 -64.4 -52.8 -6.7 7.4 19.7 76 132 A W H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 116.1 44.4 -56.7 -46.5 -4.5 5.8 17.1 77 133 A A H 3<5S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.561 111.6-116.1 -75.7 -10.5 -5.0 8.5 14.6 78 134 A G T <<5 + 0 0 55 -3,-1.3 2,-0.4 -4,-1.0 -3,-0.2 0.778 63.5 147.7 78.1 26.7 -4.6 11.4 17.1 79 135 A I < - 0 0 10 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.800 30.1-159.2 -99.1 137.0 -8.2 12.7 16.7 80 136 A K E -d 56 0A 64 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.3 -0.777 9.2-140.8-105.6 152.5 -10.2 14.3 19.5 81 137 A Q E d 57 0A 64 -2,-0.3 -23,-0.2 -25,-0.2 0, 0.0 -0.735 360.0 360.0 -96.1 159.6 -13.9 14.8 20.0 82 138 A E 0 0 156 -25,-0.7 -23,-0.2 -2,-0.3 -26,-0.0 -0.913 360.0 360.0-157.0 360.0 -15.2 18.0 21.5 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 0 175 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.5 -26.8 22.0 8.4 85 153 A S H >> + 0 0 69 2,-0.2 4,-2.7 1,-0.1 3,-0.6 0.887 360.0 61.3 -68.9 -44.2 -27.2 23.2 4.8 86 154 A M H 3>>S+ 0 0 35 1,-0.3 4,-4.2 2,-0.2 5,-0.6 0.934 93.4 58.5 -58.1 -56.7 -25.0 20.6 3.2 87 155 A N H 3>5S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.856 117.7 38.7 -41.3 -37.4 -26.9 17.4 4.2 88 156 A K H < S+ 0 0 47 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.959 107.4 52.0 -53.3 -57.1 -31.2 14.1 -6.6 96 164 A Q H 3< S+ 0 0 140 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 123.2 29.6 -51.0 -38.7 -29.9 16.0 -9.6 97 165 A V H >< S+ 0 0 8 -4,-2.1 3,-2.2 -5,-0.2 4,-0.4 0.536 85.2 105.6-104.7 -4.5 -27.6 13.0 -10.5 98 166 A R G X< S+ 0 0 58 -4,-1.9 3,-1.2 -3,-0.6 9,-0.1 0.821 77.7 54.1 -48.2 -41.0 -29.3 9.9 -9.2 99 167 A D G 3 S+ 0 0 130 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.659 94.9 69.1 -71.2 -16.0 -30.5 8.6 -12.6 100 168 A Q G < S+ 0 0 112 -3,-2.2 2,-0.4 1,-0.1 -1,-0.2 0.565 100.2 47.9 -85.7 -5.9 -27.1 8.6 -14.1 101 169 A A < - 0 0 14 -3,-1.2 6,-0.1 -4,-0.4 -1,-0.1 -0.993 68.5-142.1-131.1 145.9 -25.7 5.8 -12.0 102 170 A E S S+ 0 0 149 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.902 87.7 57.9 -60.7 -44.5 -27.1 2.4 -11.1 103 171 A H S >> S- 0 0 82 1,-0.1 4,-1.7 -3,-0.1 3,-0.8 -0.735 74.3-137.3-107.9 140.4 -25.8 2.6 -7.6 104 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.885 103.9 62.1 -54.8 -43.0 -26.4 5.2 -4.8 105 173 A K H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 103.8 48.3 -52.5 -38.6 -22.6 5.1 -4.0 106 174 A T H <> S+ 0 0 24 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.935 110.1 50.9 -73.8 -42.9 -21.7 6.4 -7.4 107 175 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.888 109.5 52.3 -53.7 -39.7 -24.4 9.2 -7.2 108 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.930 109.7 47.7 -65.9 -41.8 -22.9 10.2 -3.8 109 177 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.852 108.9 53.7 -71.9 -27.8 -19.4 10.4 -5.3 110 178 A M H X S+ 0 0 12 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.937 110.4 49.6 -62.7 -40.9 -20.7 12.5 -8.3 111 179 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.887 108.0 50.9 -64.6 -40.1 -22.2 14.8 -5.7 112 180 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.946 111.3 50.4 -60.5 -45.7 -19.0 15.1 -3.7 113 181 A F H X S+ 0 0 27 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.937 113.8 43.3 -56.2 -49.1 -17.2 15.9 -6.9 114 182 A I H X S+ 0 0 43 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.942 113.5 51.8 -67.4 -41.7 -19.7 18.7 -7.9 115 183 A H H < S+ 0 0 12 -4,-3.1 10,-0.5 1,-0.2 -1,-0.2 0.914 113.6 42.8 -61.1 -44.7 -19.8 20.1 -4.3 116 184 A N H < S+ 0 0 3 -4,-2.8 10,-2.2 -5,-0.2 11,-0.3 0.730 118.7 42.5 -80.2 -20.3 -16.1 20.4 -4.1 117 185 A H H < S+ 0 0 73 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.659 82.6 118.3 -90.9 -21.7 -15.4 21.8 -7.5 118 186 A K < - 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0 0 61 -2,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.642 68.2-109.0-109.2 166.2 -12.9 -4.4 -13.2 177 94 B G H > S+ 0 0 23 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.902 117.9 50.9 -58.2 -45.7 -13.9 -1.5 -15.3 178 95 B Q H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 112.0 44.8 -64.5 -40.0 -16.7 -0.5 -12.9 179 96 B E H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 114.4 49.7 -72.9 -32.6 -14.5 -0.6 -9.8 180 97 B T H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.911 109.8 50.0 -70.8 -46.7 -11.7 1.3 -11.5 181 98 B A H X S+ 0 0 6 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.907 112.1 49.5 -55.1 -42.7 -14.2 4.0 -12.8 182 99 B Y H X S+ 0 0 18 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.907 109.5 50.3 -68.3 -38.9 -15.6 4.4 -9.3 183 100 B F H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.902 112.2 47.4 -61.2 -43.4 -12.1 4.7 -7.8 184 101 B L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.921 110.6 52.8 -64.3 -39.4 -11.2 7.5 -10.4 185 102 B L H X S+ 0 0 11 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.912 111.5 46.0 -61.4 -44.7 -14.5 9.3 -9.7 186 103 B K H X S+ 0 0 25 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.922 114.3 47.7 -65.2 -49.6 -13.8 9.3 -5.9 187 104 B L H >X S+ 0 0 3 -4,-2.5 4,-1.5 1,-0.2 3,-1.3 0.923 111.2 49.6 -56.4 -49.1 -10.2 10.5 -6.4 188 105 B A H 3< S+ 0 0 2 -4,-2.7 5,-0.3 1,-0.3 -1,-0.2 0.708 105.8 57.5 -68.5 -23.2 -11.2 13.3 -8.8 189 106 B G H 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.641 114.0 39.6 -78.7 -12.7 -13.9 14.6 -6.4 190 107 B R H << S+ 0 0 12 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.704 122.8 23.6-108.2 -26.6 -11.2 15.0 -3.7 191 108 B W S < S- 0 0 5 -4,-1.5 2,-1.5 -49,-0.0 -1,-0.3 -0.957 89.3 -96.8-141.4 146.6 -8.1 16.4 -5.6 192 109 B P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.537 47.2-175.0 -72.1 91.1 -7.7 18.3 -8.8 193 110 B V + 0 0 11 -2,-1.5 -50,-0.2 -5,-0.3 3,-0.1 -0.762 19.4 159.0 -95.0 109.7 -6.8 15.4 -11.2 194 111 B K + 0 0 101 -52,-2.1 25,-2.7 -2,-0.6 2,-0.4 0.808 69.6 16.7 -94.5 -43.2 -6.0 16.5 -14.7 195 112 B T E -eh 143 219B 15 -53,-1.8 -51,-2.2 23,-0.2 2,-0.5 -0.986 60.2-162.7-137.2 135.2 -4.0 13.4 -16.0 196 113 B V E -e 144 0B 3 23,-2.5 2,-0.5 -2,-0.4 -51,-0.2 -0.998 10.0-151.3-121.1 125.5 -3.7 9.9 -14.7 197 114 B H E +e 145 0B 62 -53,-2.9 -51,-2.4 -2,-0.5 2,-0.2 -0.887 29.9 171.8 -88.6 120.4 -0.8 7.6 -15.8 198 115 B T - 0 0 20 -2,-0.5 -51,-0.1 -53,-0.2 -2,-0.0 -0.611 50.6-105.0-121.5 176.2 -2.1 4.0 -15.7 199 116 B D - 0 0 70 -53,-0.3 -52,-0.1 -2,-0.2 -2,-0.0 0.452 49.2-130.2 -82.9 1.8 -0.8 0.7 -16.8 200 117 B N + 0 0 115 1,-0.1 4,-0.0 3,-0.0 -1,-0.0 0.602 55.3 150.3 63.8 16.3 -3.3 0.9 -19.7 201 118 B G > - 0 0 25 1,-0.1 3,-2.5 2,-0.1 4,-0.3 0.190 62.5 -69.4 -76.6-168.7 -4.6 -2.7 -19.0 202 119 B S G > S+ 0 0 97 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.752 124.3 61.0 -58.2 -35.6 -8.0 -4.4 -19.5 203 120 B N G 3 S+ 0 0 6 1,-0.2 -1,-0.3 2,-0.1 -22,-0.1 0.482 102.8 55.0 -77.6 1.3 -9.9 -2.4 -16.8 204 121 B F G < S+ 0 0 21 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.419 91.9 71.0-103.1 -1.4 -9.2 0.8 -18.7 205 122 B T S < S+ 0 0 116 -3,-1.3 -2,-0.1 -4,-0.3 -1,-0.1 0.567 79.6 96.7 -95.7 -5.0 -10.6 -0.2 -22.1 206 123 B G S > S- 0 0 33 -4,-0.3 4,-1.4 -3,-0.1 5,-0.1 -0.235 80.1-110.3 -93.5 175.7 -14.3 -0.2 -21.3 207 124 B A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 111.5 54.1 -69.7 -38.0 -17.3 2.2 -21.6 208 125 B T H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.937 110.7 42.9 -73.9 -45.9 -17.7 2.8 -17.9 209 126 B V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 114.3 51.2 -58.3 -44.1 -14.2 4.0 -17.2 210 127 B R H X S+ 0 0 194 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.916 112.1 48.4 -59.7 -43.3 -14.0 6.1 -20.4 211 128 B A H X S+ 0 0 55 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.909 110.5 50.1 -65.5 -41.6 -17.3 7.7 -19.3 212 129 B A H X S+ 0 0 20 -4,-2.7 4,-2.6 2,-0.2 6,-0.2 0.923 113.0 45.8 -67.1 -43.1 -16.1 8.4 -15.8 213 130 B C H X>S+ 0 0 9 -4,-2.4 5,-2.5 -5,-0.2 4,-0.9 0.933 114.1 48.9 -64.7 -36.5 -12.9 10.0 -17.0 214 131 B D H ><5S+ 0 0 128 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.970 113.2 47.3 -65.9 -53.0 -14.8 12.1 -19.6 215 132 B W H 3<5S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.861 116.4 44.1 -56.4 -45.4 -17.4 13.2 -17.0 216 133 B A H 3<5S- 0 0 11 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.533 111.7-115.7 -76.3 -9.0 -14.6 14.1 -14.4 217 134 B G T <<5 + 0 0 57 -3,-1.2 2,-0.4 -4,-0.9 -3,-0.2 0.791 65.0 145.0 75.4 29.3 -12.3 15.9 -16.9 218 135 B I < - 0 0 12 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.801 31.8-160.7 -99.8 134.8 -9.5 13.4 -16.5 219 136 B K B -h 195 0B 118 -25,-2.7 -23,-2.5 -2,-0.4 2,-0.9 -0.847 16.1-136.6-110.3 152.2 -7.2 12.4 -19.4 220 137 B Q 0 0 69 -2,-0.4 -23,-0.1 -25,-0.2 -25,-0.1 -0.734 360.0 360.0-103.1 84.0 -5.0 9.3 -19.7 221 138 B E 0 0 160 -2,-0.9 -1,-0.2 -25,-0.1 -24,-0.1 0.797 360.0 360.0 -85.6 360.0 -1.7 10.5 -21.1 222 ! 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 0.0 223 153 B S > 0 0 139 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -69.1 9.4 4.2 -4.3 224 154 B M T 4 + 0 0 72 1,-0.1 29,-0.0 2,-0.1 4,-0.0 0.349 360.0 45.2 -77.4 6.9 6.1 5.5 -2.9 225 155 B N T > S+ 0 0 45 2,-0.1 4,-1.1 3,-0.1 3,-0.4 0.780 101.7 52.1-114.7 -51.7 4.8 1.9 -3.5 226 156 B K H > S+ 0 0 146 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.899 108.0 58.1 -58.6 -42.5 7.1 -0.8 -2.3 227 157 B E H X S+ 0 0 44 -4,-0.8 4,-2.9 1,-0.2 -1,-0.3 0.886 99.0 62.3 -42.9 -47.5 7.2 1.0 1.1 228 158 B L H > S+ 0 0 4 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.903 102.7 45.3 -53.3 -51.6 3.4 0.6 1.2 229 159 B K H X S+ 0 0 82 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.860 113.0 53.4 -64.1 -34.2 3.3 -3.2 1.3 230 160 B K H X S+ 0 0 126 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.905 110.4 45.3 -64.8 -43.1 6.1 -3.0 3.9 231 161 B I H X S+ 0 0 3 -4,-2.9 4,-1.9 2,-0.2 5,-0.2 0.922 111.5 53.1 -66.4 -40.2 3.9 -0.7 6.1 232 162 B I H X S+ 0 0 3 -4,-3.1 4,-1.8 -5,-0.2 3,-0.2 0.946 108.4 52.0 -57.3 -45.6 0.9 -3.0 5.5 233 163 B G H < S+ 0 0 52 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.938 108.5 50.1 -47.5 -56.2 3.2 -5.8 6.7 234 164 B Q H < S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.801 122.0 31.6 -55.3 -37.5 4.1 -3.9 9.9 235 165 B V H >< S+ 0 0 8 -4,-1.9 3,-2.4 -3,-0.2 4,-0.4 0.554 87.6 102.6-102.5 -7.1 0.4 -3.1 10.8 236 166 B R G >< S+ 0 0 59 -4,-1.8 3,-1.3 -3,-0.4 -1,-0.1 0.818 77.5 56.0 -46.2 -42.1 -1.3 -6.2 9.4 237 167 B D G 3 S+ 0 0 140 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.631 98.4 62.0 -69.6 -12.8 -1.7 -7.9 12.8 238 168 B Q G < S+ 0 0 115 -3,-2.4 2,-0.4 1,-0.0 -1,-0.2 0.508 99.7 59.8 -95.7 -2.4 -3.6 -5.0 14.3 239 169 B A < - 0 0 12 -3,-1.3 -1,-0.0 -4,-0.4 6,-0.0 -0.981 64.3-152.4-126.8 136.7 -6.4 -5.2 12.0 240 170 B E S S+ 0 0 156 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.913 85.9 52.6 -65.7 -42.3 -8.8 -8.0 11.3 241 171 B H S >> S- 0 0 72 1,-0.1 4,-1.6 0, 0.0 3,-0.7 -0.766 77.2-134.3-107.0 141.1 -9.5 -6.9 7.7 242 172 B L H 3> S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 105.5 63.0 -52.6 -44.1 -6.9 -6.1 5.0 243 173 B K H 3> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 102.4 49.0 -50.0 -38.7 -8.8 -2.9 4.1 244 174 B T H <> S+ 0 0 26 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.939 110.4 50.2 -75.9 -42.9 -8.1 -1.5 7.6 245 175 B A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.887 109.3 52.7 -56.0 -38.4 -4.4 -2.3 7.4 246 176 B V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 110.1 46.8 -66.5 -40.9 -4.3 -0.6 4.0 247 177 B Q H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.855 109.4 53.6 -72.5 -28.5 -5.8 2.6 5.4 248 178 B M H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 110.7 49.4 -60.2 -43.8 -3.4 2.5 8.4 249 179 B A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.904 107.7 51.6 -63.1 -39.1 -0.6 2.3 5.8 250 180 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.953 111.5 49.4 -62.1 -43.1 -2.0 5.3 3.8 251 181 B F H X S+ 0 0 27 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.947 113.6 44.6 -61.1 -46.4 -2.1 7.3 7.1 252 182 B I H X S+ 0 0 41 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.938 113.5 50.3 -66.0 -44.8 1.4 6.4 8.0 253 183 B H H < S+ 0 0 9 -4,-3.1 9,-0.5 1,-0.2 -1,-0.2 0.921 114.2 44.1 -59.6 -43.3 2.8 7.0 4.5 254 184 B N H < S+ 0 0 3 -4,-2.7 9,-2.2 -5,-0.3 10,-0.3 0.770 118.0 42.5 -78.9 -22.7 1.1 10.4 4.2 255 185 B H H < S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.658 82.6 116.3 -90.3 -18.7 2.1 11.7 7.7 256 186 B K < 0 0 112 -4,-1.8 6,-0.4 -5,-0.2 7,-0.1 -0.198 360.0 360.0 -62.1 132.8 5.7 10.5 7.9 257 187 B R 0 0 180 4,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.983 360.0 360.0-123.4 360.0 8.1 13.3 8.2 258 ! 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 0.0 259 193 B G 0 0 95 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 10.1 11.2 18.2 6.5 260 194 B Y - 0 0 129 -4,-0.0 2,-0.1 4,-0.0 -5,-0.0 -0.948 360.0-125.6-132.8 147.6 7.7 17.8 5.2 261 195 B S > - 0 0 9 -2,-0.3 4,-2.5 -4,-0.1 5,-0.1 -0.469 33.8-107.3 -80.6 167.4 5.2 15.0 4.9 262 196 B A H > S+ 0 0 2 -9,-0.5 4,-2.6 -6,-0.4 -96,-0.3 0.878 122.7 56.8 -60.7 -36.3 3.6 13.9 1.6 263 197 B G H > S+ 0 0 20 -9,-2.2 4,-1.8 2,-0.2 5,-0.2 0.938 109.5 43.0 -61.4 -49.2 0.4 15.5 3.0 264 198 B E H > S+ 0 0 34 -10,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.912 113.1 54.0 -64.7 -38.4 2.1 18.9 3.5 265 199 B R H X S+ 0 0 87 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.906 108.0 48.9 -62.5 -45.7 3.9 18.6 0.1 266 200 B I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.931 113.6 44.7 -64.9 -40.8 0.7 18.0 -1.8 267 201 B V H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.897 113.5 51.6 -71.8 -36.4 -1.2 20.9 -0.3 268 202 B D H X S+ 0 0 74 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.949 111.8 47.1 -59.9 -47.4 1.9 23.2 -0.7 269 203 B I H X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.932 116.7 42.4 -63.6 -40.1 2.1 22.3 -4.4 270 204 B I H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.916 112.7 51.6 -78.5 -35.4 -1.6 22.8 -5.1 271 205 B A H < S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.930 110.5 51.2 -66.6 -41.2 -1.9 26.0 -3.1 272 206 B T H < S+ 0 0 104 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.943 107.8 50.7 -59.5 -49.0 1.0 27.3 -5.0 273 207 B D H < 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 360.0 360.0 -58.6 -36.7 -0.6 26.4 -8.4 274 208 B I < 0 0 88 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.973 360.0 360.0 -64.5 360.0 -3.8 28.3 -7.3