==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-AUG-12 4GW6 . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (N . AUTHOR L.FENG,M.KVARATSKHELIA . 144 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 1 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 . 6 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 1 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 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 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 55 A D 0 0 175 0, 0.0 25,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.1 36.9 -43.0 -2.1 2 56 A C - 0 0 56 1,-0.1 24,-0.0 23,-0.1 4,-0.0 0.098 360.0 -87.0 -71.0 158.1 36.8 -39.8 -0.0 3 57 A S > - 0 0 51 1,-0.1 3,-1.4 2,-0.1 23,-0.3 -0.328 39.9-127.2 -56.2 135.6 37.6 -38.9 3.6 4 58 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.588 101.3 59.6 -71.9 -11.7 34.5 -39.6 5.8 5 59 A G T 3 S+ 0 0 8 51,-0.1 53,-2.1 19,-0.0 52,-2.0 0.192 78.3 108.0-101.8 15.2 34.5 -36.1 7.3 6 60 A I E < +a 58 0A 23 -3,-1.4 19,-1.2 51,-0.2 20,-0.4 -0.817 40.8 174.3 -99.3 136.8 34.2 -34.0 4.2 7 61 A W E -aB 59 24A 1 51,-1.4 53,-3.0 -2,-0.4 2,-0.4 -0.941 22.5-142.7-133.5 153.9 30.9 -32.2 3.4 8 62 A Q E -aB 60 23A 11 15,-2.7 15,-2.8 -2,-0.3 2,-0.4 -0.971 17.3-168.7-116.6 135.1 29.9 -29.7 0.7 9 63 A L E + B 0 22A 4 51,-3.1 53,-0.4 -2,-0.4 2,-0.3 -0.983 18.7 144.5-129.7 131.0 27.6 -26.9 1.6 10 64 A D E - B 0 21A 20 11,-1.8 11,-2.9 -2,-0.4 2,-0.4 -0.962 36.4-120.8-154.6 167.6 25.8 -24.6 -1.0 11 65 A C E - B 0 20A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 19.3-173.1-121.4 140.4 22.6 -22.7 -1.6 12 66 A T E - B 0 19A 22 7,-2.0 7,-3.3 -2,-0.4 2,-0.4 -0.843 18.1-131.9-115.2 165.5 20.1 -22.9 -4.5 13 67 A H E + B 0 18A 103 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.904 30.7 156.6-118.7 141.7 17.1 -20.7 -5.2 14 68 A L E > + B 0 17A 48 3,-2.1 3,-1.8 -2,-0.4 -2,-0.0 -0.887 69.7 2.0-163.6 131.7 13.7 -21.9 -6.1 15 69 A E T 3 S- 0 0 100 -2,-0.3 3,-0.1 1,-0.3 95,-0.1 0.727 125.9 -61.2 61.5 30.0 10.4 -20.0 -5.7 16 70 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.551 117.5 107.4 75.8 6.5 12.1 -16.9 -4.4 17 71 A K E < -B 14 0A 98 -3,-1.8 -3,-2.1 20,-0.0 2,-0.5 -0.812 68.8-122.2-120.4 157.1 13.3 -18.9 -1.5 18 72 A V E -BC 13 35A 9 17,-1.4 17,-2.3 -2,-0.3 2,-0.5 -0.863 17.2-160.7-103.6 131.1 16.8 -20.1 -0.6 19 73 A I E -BC 12 34A 0 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.5 -0.937 7.5-151.7-106.7 127.5 17.6 -23.8 -0.0 20 74 A L E -BC 11 33A 3 13,-3.9 13,-2.0 -2,-0.5 2,-0.5 -0.877 16.9-165.7 -97.9 131.3 20.7 -24.7 1.9 21 75 A V E -BC 10 32A 2 -11,-2.9 -11,-1.8 -2,-0.5 2,-0.4 -0.966 10.5-167.1-129.6 118.0 22.1 -28.1 0.8 22 76 A A E -BC 9 31A 0 9,-3.1 9,-1.9 -2,-0.5 2,-0.5 -0.882 6.9-170.5-101.1 132.6 24.7 -30.2 2.6 23 77 A V E -BC 8 30A 4 -15,-2.8 -15,-2.7 -2,-0.4 2,-0.9 -0.986 20.4-144.8-126.1 123.7 26.3 -33.2 0.8 24 78 A H E >> -B 7 0A 0 5,-2.5 4,-2.7 -2,-0.5 3,-1.3 -0.781 23.1-150.1 -83.1 108.8 28.5 -35.7 2.5 25 79 A V T 34 S+ 0 0 43 -19,-1.2 -1,-0.2 -2,-0.9 -23,-0.1 0.813 85.9 53.8 -65.4 -31.6 30.9 -36.3 -0.4 26 80 A A T 34 S+ 0 0 10 -20,-0.4 -1,-0.3 -23,-0.3 -19,-0.1 0.758 124.3 24.6 -69.2 -23.3 31.9 -39.9 0.2 27 81 A S T <4 S- 0 0 5 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.770 92.2-125.6-109.2 -35.6 28.3 -41.2 0.3 28 82 A G < + 0 0 10 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.396 58.0 148.1 92.8 -1.9 26.0 -38.7 -1.6 29 83 A Y - 0 0 32 -5,-0.5 -5,-2.5 104,-0.3 2,-0.4 -0.490 28.0-165.5 -65.8 129.9 23.8 -38.3 1.5 30 84 A I E -C 23 0A 0 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.897 19.0-167.7-117.0 148.8 22.2 -34.9 1.6 31 85 A E E -C 22 0A 21 -9,-1.9 -9,-3.1 -2,-0.4 2,-0.3 -0.954 19.4-177.2-122.5 157.7 20.5 -32.8 4.2 32 86 A A E -C 21 0A 4 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.990 15.6-169.9-153.5 152.3 18.7 -29.6 3.3 33 87 A E E -C 20 0A 64 -13,-2.0 -13,-3.9 -2,-0.3 2,-0.7 -0.989 23.2-131.3-149.1 133.7 16.7 -26.7 4.7 34 88 A V E -C 19 0A 28 -2,-0.3 -15,-0.2 -15,-0.3 77,-0.0 -0.859 32.0-176.3 -80.2 115.8 14.7 -23.9 3.2 35 89 A I E -C 18 0A 8 -17,-2.3 -17,-1.4 -2,-0.7 3,-0.1 -0.767 34.0-121.5-108.6 155.7 15.8 -20.6 4.8 36 90 A P S S- 0 0 106 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.915 88.6 -7.2 -68.5 -39.3 14.2 -17.2 4.1 37 91 A A S S- 0 0 53 -20,-0.1 2,-1.2 -19,-0.1 5,-0.2 -0.985 78.9 -91.7-154.5 154.5 17.5 -15.6 2.8 38 92 A E + 0 0 79 -2,-0.3 2,-0.4 -3,-0.1 -27,-0.0 -0.475 60.5 152.4 -64.6 90.9 21.2 -16.3 2.5 39 93 A T >> - 0 0 68 -2,-1.2 4,-1.8 1,-0.1 3,-0.5 -0.939 56.6-121.8-119.5 152.1 22.7 -14.9 5.6 40 94 A G H 3> S+ 0 0 18 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.812 113.7 59.0 -48.5 -37.0 25.9 -15.9 7.6 41 95 A Q H 3> S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 104.5 48.9 -65.8 -39.3 23.6 -16.5 10.6 42 96 A E H <> S+ 0 0 62 -3,-0.5 4,-1.7 -5,-0.2 -1,-0.2 0.896 112.4 48.8 -65.4 -38.6 21.6 -19.1 8.8 43 97 A T H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.935 110.2 50.1 -67.7 -46.6 24.8 -20.9 7.6 44 98 A A H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.890 111.4 49.1 -55.9 -42.8 26.4 -20.9 11.0 45 99 A Y H X S+ 0 0 142 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.863 109.5 50.5 -72.3 -37.2 23.3 -22.4 12.6 46 100 A F H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.883 110.6 50.7 -68.6 -36.4 22.9 -25.1 10.0 47 101 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 108.4 51.6 -68.8 -43.8 26.6 -26.0 10.5 48 102 A L H X S+ 0 0 73 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.935 112.3 47.6 -54.1 -45.0 26.0 -26.2 14.2 49 103 A K H < S+ 0 0 64 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.924 113.2 46.6 -62.1 -42.9 23.1 -28.5 13.5 50 104 A L H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-1.1 0.836 107.8 56.5 -69.5 -38.8 25.0 -30.7 11.2 51 105 A A H 3< S+ 0 0 23 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.753 99.7 56.6 -72.1 -24.7 28.1 -31.1 13.4 52 106 A G T 3< S+ 0 0 79 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.426 113.9 43.2 -86.6 2.0 26.2 -32.5 16.4 53 107 A R T <4 S+ 0 0 125 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.734 120.5 22.8-112.6 -42.8 24.9 -35.2 14.3 54 108 A W S < S- 0 0 41 -4,-1.9 2,-0.8 -49,-0.0 -1,-0.3 -0.839 86.3 -97.5-126.9 160.3 27.9 -36.3 12.2 55 109 A P - 0 0 69 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.754 45.5-170.8 -79.2 114.4 31.6 -36.1 12.5 56 110 A V + 0 0 15 -2,-0.8 -50,-0.1 -5,-0.3 3,-0.1 -0.957 17.9 163.1-111.6 114.9 32.3 -33.0 10.3 57 111 A K - 0 0 107 -52,-2.0 25,-2.8 -2,-0.6 2,-0.3 0.877 66.8 -0.2 -96.9 -55.9 36.0 -32.5 9.7 58 112 A T E -ad 6 82A 11 -53,-2.1 -51,-1.4 23,-0.2 -1,-0.4 -0.951 61.4-153.0-135.4 148.6 36.1 -30.1 6.8 59 113 A V E -ad 7 83A 3 23,-1.3 25,-2.1 -2,-0.3 2,-0.3 -0.998 8.0-163.7-126.7 138.4 33.4 -28.4 4.7 60 114 A H E -a 8 0A 28 -53,-3.0 -51,-3.1 -2,-0.4 2,-0.3 -0.745 8.2-179.0-109.4 161.9 33.7 -27.2 1.1 61 115 A T - 0 0 7 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.979 35.9-126.8-153.6 157.0 31.5 -24.8 -0.9 62 116 A D S S+ 0 0 122 -53,-0.4 2,-0.2 -2,-0.3 -52,-0.1 0.365 104.0 49.9 -92.2 11.8 31.3 -23.4 -4.3 63 117 A N > - 0 0 73 1,-0.1 3,-2.7 0, 0.0 4,-0.3 -0.688 65.3-170.5-146.4 89.5 31.2 -19.8 -3.0 64 118 A G G > S+ 0 0 43 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.699 83.1 67.6 -58.2 -23.9 33.9 -19.1 -0.5 65 119 A S G > S+ 0 0 76 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.687 83.9 73.9 -70.7 -18.7 32.4 -15.8 0.5 66 120 A N G < S+ 0 0 30 -3,-2.7 3,-0.4 1,-0.2 -1,-0.3 0.759 98.1 50.3 -54.1 -26.8 29.5 -17.7 2.0 67 121 A F G < S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.156 83.9 87.2-107.9 15.1 31.9 -18.5 4.7 68 122 A T < + 0 0 87 -3,-1.4 -1,-0.2 4,-0.1 -2,-0.1 0.540 55.4 112.1 -98.2 -10.1 33.4 -15.1 5.7 69 123 A S S > S- 0 0 40 -3,-0.4 4,-2.1 -4,-0.2 5,-0.1 -0.287 70.6-133.4 -53.8 146.7 30.8 -14.1 8.3 70 124 A T H > S+ 0 0 115 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 109.9 61.6 -68.5 -35.2 32.3 -13.9 11.7 71 125 A T H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 107.0 43.6 -49.5 -43.2 29.1 -15.8 12.7 72 126 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.4 50.4 -76.2 -44.4 30.2 -18.6 10.4 73 127 A K H X S+ 0 0 132 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.858 109.0 54.3 -58.2 -35.6 33.8 -18.6 11.6 74 128 A A H X S+ 0 0 53 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.920 109.1 46.9 -66.7 -45.0 32.5 -18.7 15.2 75 129 A A H X S+ 0 0 7 -4,-1.8 4,-2.0 2,-0.2 6,-0.2 0.890 113.6 47.2 -61.2 -46.5 30.4 -21.8 14.5 76 130 A C H <>S+ 0 0 21 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.952 114.4 49.4 -61.0 -46.7 33.3 -23.6 12.6 77 131 A W H ><5S+ 0 0 204 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.942 112.0 45.9 -53.1 -56.8 35.6 -22.7 15.5 78 132 A W H 3<5S+ 0 0 193 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 119.2 39.8 -64.3 -36.0 33.4 -23.9 18.3 79 133 A A T 3<5S- 0 0 32 -4,-2.0 -1,-0.3 -5,-0.2 -23,-0.2 0.284 112.5-116.4 -94.7 10.0 32.5 -27.2 16.6 80 134 A G T < 5 + 0 0 56 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.790 58.2 154.7 57.3 37.1 36.1 -27.8 15.4 81 135 A I < - 0 0 8 -5,-2.7 2,-0.4 -6,-0.2 -23,-0.2 -0.749 27.6-156.7 -90.2 139.0 35.3 -27.7 11.6 82 136 A K E -d 58 0A 149 -25,-2.8 -23,-1.3 -2,-0.4 2,-0.2 -0.870 19.9-118.2-106.9 150.5 38.1 -26.7 9.2 83 137 A Q E -d 59 0A 74 -2,-0.4 2,-1.3 -25,-0.2 -23,-0.2 -0.569 31.1-104.1 -86.2 152.8 37.3 -25.3 5.8 84 138 A E + 0 0 41 -25,-2.1 3,-0.4 -2,-0.2 -23,-0.2 -0.646 42.9 166.7 -79.0 94.0 38.5 -27.2 2.7 85 139 A F S S+ 0 0 197 -2,-1.3 -1,-0.2 1,-0.2 -25,-0.1 0.372 70.3 70.6 -77.8 4.8 41.5 -25.2 1.4 86 140 A G + 0 0 54 1,-0.1 -1,-0.2 2,-0.1 -26,-0.0 -0.177 67.2 79.2-135.9 42.3 42.0 -28.3 -0.7 87 141 A I 0 0 86 -3,-0.4 -1,-0.1 0, 0.0 -3,-0.0 -0.859 360.0 360.0-136.7 115.6 39.6 -29.1 -3.5 88 142 A P 0 0 167 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.230 360.0 360.0 -78.6 360.0 40.0 -27.3 -6.8 89 ! 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 90 152 A E 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.7 28.5 -32.3 -8.7 91 153 A S > + 0 0 73 0, 0.0 4,-0.6 0, 0.0 5,-0.0 0.075 360.0 117.8-127.0 115.5 25.7 -32.2 -9.6 92 154 A M H > S+ 0 0 52 2,-0.2 4,-4.0 3,-0.1 5,-0.4 0.811 81.0 67.5 -78.2 -35.8 23.3 -33.3 -6.9 93 155 A N H > S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.921 102.3 44.3 -51.9 -47.8 21.9 -29.8 -7.0 94 156 A K H > S+ 0 0 167 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.871 119.6 44.3 -57.1 -40.5 20.5 -30.4 -10.5 95 157 A E H X S+ 0 0 74 -4,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.909 111.9 48.1 -76.4 -48.6 19.2 -33.8 -9.4 96 158 A L H X S+ 0 0 3 -4,-4.0 4,-3.4 1,-0.2 -3,-0.2 0.920 111.6 53.5 -58.9 -42.9 17.7 -32.9 -6.1 97 159 A K H X S+ 0 0 67 -4,-2.0 4,-2.5 -5,-0.4 -1,-0.2 0.836 107.5 51.7 -55.0 -38.7 16.0 -30.0 -8.1 98 160 A K H X S+ 0 0 121 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.999 111.1 45.8 -60.7 -64.2 14.8 -32.8 -10.4 99 161 A I H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.859 112.5 51.8 -45.2 -47.4 13.3 -34.8 -7.4 100 162 A I H >X S+ 0 0 1 -4,-3.4 4,-2.2 1,-0.2 3,-0.6 0.947 106.5 53.8 -52.7 -50.5 11.8 -31.5 -6.0 101 163 A G H 3< S+ 0 0 53 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.866 108.2 50.8 -55.5 -36.4 10.1 -30.8 -9.4 102 164 A Q H 3< S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 118.3 34.4 -71.9 -32.8 8.5 -34.2 -9.4 103 165 A V H X< S+ 0 0 15 -4,-1.4 3,-3.8 -3,-0.6 4,-0.4 0.626 86.0 100.7 -96.6 -15.6 7.0 -34.1 -5.8 104 166 A R G >< S+ 0 0 57 -4,-2.2 3,-1.5 1,-0.3 -1,-0.1 0.798 79.1 60.3 -41.6 -43.5 6.2 -30.3 -5.8 105 167 A D G 3 S+ 0 0 140 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.823 94.5 63.6 -44.3 -42.1 2.6 -31.3 -6.6 106 168 A Q G < S+ 0 0 118 -3,-3.8 2,-0.3 -4,-0.1 -1,-0.2 0.549 104.9 43.7 -74.6 -7.4 2.3 -33.3 -3.4 107 169 A A < - 0 0 18 -3,-1.5 6,-0.0 -4,-0.4 -1,-0.0 -0.980 61.0-143.6-144.9 147.1 2.8 -30.3 -1.0 108 170 A E S S+ 0 0 156 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.948 86.9 58.0 -69.3 -53.4 1.7 -26.8 -0.4 109 171 A H S >> S- 0 0 95 1,-0.1 4,-1.7 4,-0.0 3,-0.6 -0.619 75.1-135.8 -91.6 139.0 5.1 -25.5 0.9 110 172 A L H 3> S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.929 105.6 61.7 -48.7 -46.3 8.4 -25.6 -0.9 111 173 A K H 3> S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 102.8 48.6 -52.9 -39.6 10.0 -26.8 2.4 112 174 A T H <> S+ 0 0 59 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.954 109.7 51.5 -67.3 -45.5 7.9 -29.9 2.5 113 175 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.920 109.1 52.8 -54.2 -46.6 8.7 -30.8 -1.1 114 176 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.907 110.9 44.5 -53.9 -50.7 12.4 -30.4 -0.3 115 177 A Q H X S+ 0 0 73 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 112.9 52.2 -67.2 -36.4 12.3 -32.7 2.7 116 178 A M H X S+ 0 0 65 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.930 111.7 47.6 -62.8 -42.1 10.3 -35.2 0.6 117 179 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.904 110.7 50.4 -65.4 -42.9 12.9 -34.9 -2.1 118 180 A V H X S+ 0 0 11 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.958 108.7 53.1 -58.1 -47.6 15.7 -35.4 0.4 119 181 A F H X S+ 0 0 134 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.938 110.5 46.4 -54.4 -52.3 13.9 -38.5 1.8 120 182 A I H >X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 3,-0.8 0.934 114.0 49.4 -56.6 -48.5 13.7 -40.1 -1.7 121 183 A H H 3< S+ 0 0 22 -4,-2.5 12,-0.5 1,-0.2 -2,-0.2 0.950 110.0 47.8 -56.7 -54.6 17.3 -39.3 -2.5 122 184 A N H 3< S+ 0 0 13 -4,-2.9 12,-2.6 1,-0.2 13,-0.4 0.630 116.8 45.8 -63.4 -11.9 18.8 -40.7 0.7 123 185 A K H << S+ 0 0 125 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.823 80.3 105.0-107.9 -36.6 16.8 -43.9 0.3 124 186 A K < - 0 0 144 -4,-2.1 9,-0.7 -5,-0.2 2,-0.2 -0.222 68.9-128.4 -40.8 124.6 17.1 -45.0 -3.4 125 187 A R B -E 132 0B 149 7,-0.2 7,-0.3 1,-0.1 6,-0.2 -0.606 35.8 -90.2 -75.1 144.3 19.5 -47.9 -3.8 126 188 A K - 0 0 48 5,-2.5 -1,-0.1 -2,-0.2 6,-0.0 -0.130 43.6 -96.0 -55.2 149.1 22.3 -47.5 -6.4 127 189 A G 0 0 105 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.483 360.0 360.0 -46.5 -3.1 21.7 -48.6 -10.0 128 190 A G 0 0 87 3,-0.2 -2,-0.1 0, 0.0 -1,-0.1 -0.749 360.0 360.0 134.2 360.0 23.4 -51.8 -8.9 129 ! 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 0.0 130 193 A G 0 0 60 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 102.1 24.2 -51.4 -4.3 131 194 A Y - 0 0 126 -6,-0.2 -5,-2.5 1,-0.1 2,-0.3 -0.295 360.0-102.5 -89.9 179.4 23.2 -49.6 -1.1 132 195 A S B > -E 125 0B 5 -7,-0.3 4,-3.4 -2,-0.1 -7,-0.2 -0.758 31.4-108.5 -97.8 153.6 21.4 -46.2 -0.6 133 196 A A H > S+ 0 0 3 -9,-0.7 4,-2.5 -12,-0.5 -104,-0.3 0.881 122.2 54.1 -40.6 -47.2 23.1 -42.9 0.2 134 197 A G H > S+ 0 0 20 -12,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.923 111.6 42.1 -57.9 -50.1 21.5 -43.2 3.7 135 198 A E H > S+ 0 0 74 -13,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.924 113.6 55.1 -62.2 -43.3 23.0 -46.7 4.3 136 199 A R H X S+ 0 0 80 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.894 105.5 49.5 -57.5 -46.6 26.4 -45.6 2.8 137 200 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.938 113.4 46.7 -63.3 -44.0 26.9 -42.7 5.1 138 201 A V H X S+ 0 0 85 -4,-1.5 4,-2.3 -5,-0.2 5,-0.2 0.919 113.9 48.1 -64.7 -40.4 26.2 -44.8 8.1 139 202 A D H X S+ 0 0 79 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.946 112.6 48.4 -62.6 -48.1 28.4 -47.6 6.9 140 203 A I H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.948 114.5 45.3 -57.3 -47.7 31.3 -45.3 6.1 141 204 A I H < S+ 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.831 114.4 46.7 -74.8 -33.5 31.1 -43.5 9.5 142 205 A A H >X S+ 0 0 52 -4,-2.3 4,-2.1 -5,-0.2 3,-1.4 0.866 109.8 54.1 -67.6 -42.2 30.8 -46.7 11.5 143 206 A T H 3< S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.933 106.6 52.7 -58.7 -46.6 33.7 -48.3 9.6 144 207 A D T 3< S+ 0 0 110 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.453 109.8 51.2 -67.9 -5.6 35.8 -45.2 10.5 145 208 A I T <4 0 0 133 -3,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.867 360.0 360.0 -87.6 -65.4 34.8 -45.8 14.2 146 209 A Q < 0 0 123 -4,-2.1 -3,-0.0 0, 0.0 0, 0.0 0.418 360.0 360.0 -87.3 360.0 35.7 -49.5 14.7