==== 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 30-AUG-12 4GVM . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (N . AUTHOR L.FENG,M.KVARATSKHELIA . 148 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 35.1 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 0 2 0 0 1 2 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 . 0 1 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 . 1 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 0 174 0, 0.0 25,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -77.5 -18.1 11.0 8.9 2 56 A C - 0 0 49 1,-0.1 4,-0.0 23,-0.1 0, 0.0 -0.198 360.0 -84.8 -84.3 160.0 -20.5 12.5 11.4 3 57 A S > - 0 0 41 1,-0.1 3,-1.2 2,-0.1 23,-0.4 -0.278 43.5-119.5 -48.2 141.7 -20.3 13.3 15.2 4 58 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.555 106.3 59.7 -73.4 -9.7 -21.4 10.2 17.2 5 59 A G T 3 S+ 0 0 4 51,-0.1 53,-2.2 49,-0.1 52,-1.6 0.238 79.5 108.3-100.1 12.3 -24.4 11.8 18.9 6 60 A I E < +a 58 0A 9 -3,-1.2 19,-1.1 51,-0.2 20,-0.5 -0.786 41.1 174.3 -97.9 129.0 -26.3 12.7 15.7 7 61 A W E -aB 59 24A 2 51,-2.1 53,-2.7 -2,-0.5 2,-0.4 -0.971 21.8-143.8-125.6 147.8 -29.5 10.8 14.8 8 62 A Q E -aB 60 23A 9 15,-2.7 15,-2.8 -2,-0.3 2,-0.4 -0.909 17.2-168.3-105.1 140.5 -32.0 11.2 12.1 9 63 A L E + B 0 22A 1 51,-2.6 53,-0.4 -2,-0.4 2,-0.3 -0.994 16.2 151.8-132.9 126.0 -35.7 10.5 12.8 10 64 A D E - B 0 21A 19 11,-2.4 11,-3.1 -2,-0.4 2,-0.4 -0.980 34.0-124.0-146.8 162.7 -38.5 10.2 10.3 11 65 A C E - B 0 20A 22 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.864 22.2-177.6-107.1 141.8 -41.8 8.5 9.7 12 66 A T E - B 0 19A 26 7,-2.2 7,-3.6 -2,-0.4 2,-0.3 -0.908 18.8-130.3-126.7 165.8 -42.8 6.3 6.8 13 67 A H E + B 0 18A 108 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.890 28.6 159.8-124.2 145.4 -46.1 4.7 6.0 14 68 A L E > + B 0 17A 46 3,-1.8 3,-2.8 -2,-0.3 99,-0.1 -0.916 69.1 2.6-163.9 132.0 -47.0 1.2 5.1 15 69 A E T 3 S- 0 0 105 1,-0.3 3,-0.1 -2,-0.3 98,-0.1 0.844 129.2 -59.4 58.6 39.1 -50.2 -0.8 5.2 16 70 A G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.657 118.6 113.0 56.1 18.0 -52.0 2.3 6.4 17 71 A K E < -B 14 0A 106 -3,-2.8 -3,-1.8 20,-0.0 2,-0.5 -0.708 65.4-119.6-115.0 173.6 -49.7 2.3 9.4 18 72 A V E -BC 13 35A 12 17,-1.2 17,-2.6 -2,-0.2 2,-0.5 -0.932 17.9-164.8-115.1 129.7 -46.9 4.6 10.6 19 73 A I E -BC 12 34A 0 -7,-3.6 -7,-2.2 -2,-0.5 2,-0.6 -0.950 8.2-153.7-113.8 123.0 -43.3 3.5 11.1 20 74 A L E -BC 11 33A 0 13,-3.3 13,-2.0 -2,-0.5 2,-0.5 -0.868 16.6-169.0 -94.9 119.9 -40.9 5.7 13.1 21 75 A V E -BC 10 32A 1 -11,-3.1 -11,-2.4 -2,-0.6 2,-0.5 -0.958 8.4-168.3-113.4 122.5 -37.3 5.1 12.0 22 76 A A E -BC 9 31A 0 9,-3.5 9,-2.3 -2,-0.5 2,-0.4 -0.960 8.4-165.2-106.0 130.7 -34.3 6.5 13.9 23 77 A V E -BC 8 30A 4 -15,-2.8 -15,-2.7 -2,-0.5 2,-1.1 -0.972 21.1-139.7-115.7 130.3 -30.9 6.3 12.1 24 78 A H E >> -B 7 0A 0 5,-3.0 4,-3.0 -2,-0.4 3,-0.9 -0.814 24.7-153.2 -84.2 103.4 -27.6 6.8 13.8 25 79 A V T 34 S+ 0 0 34 -19,-1.1 -1,-0.2 -2,-1.1 -18,-0.1 0.878 84.7 52.9 -59.0 -41.5 -26.1 8.8 11.0 26 80 A A T 34 S+ 0 0 14 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.846 125.6 22.9 -63.9 -29.7 -22.3 7.9 11.6 27 81 A S T <4 S- 0 0 5 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.680 94.7-123.5-108.5 -23.9 -22.9 4.1 11.6 28 82 A G < + 0 0 4 -4,-3.0 -3,-0.1 1,-0.3 109,-0.1 0.396 58.5 149.7 88.8 -2.2 -26.2 3.4 9.7 29 83 A Y - 0 0 33 -5,-0.5 -5,-3.0 108,-0.3 2,-0.4 -0.390 29.3-156.8 -64.9 137.2 -27.7 1.6 12.7 30 84 A I E -C 23 0A 0 91,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.898 22.6-170.4-122.3 150.8 -31.4 1.9 13.0 31 85 A E E +C 22 0A 23 -9,-2.3 -9,-3.5 -2,-0.4 2,-0.3 -0.986 23.1 175.4-124.2 138.6 -34.1 1.6 15.6 32 86 A A E -C 21 0A 4 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.982 12.8-176.9-147.2 156.3 -37.7 1.6 14.4 33 87 A E E -C 20 0A 78 -13,-2.0 -13,-3.3 -2,-0.3 2,-0.6 -0.989 29.0-120.6-154.0 146.2 -41.2 1.2 15.8 34 88 A V E -C 19 0A 28 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.818 33.6-164.3 -90.1 120.1 -44.7 1.0 14.4 35 89 A I E -C 18 0A 7 -17,-2.6 -17,-1.2 -2,-0.6 3,-0.1 -0.789 25.4-132.8-105.9 151.4 -46.8 3.8 15.9 36 90 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.875 89.0 9.1 -71.5 -30.7 -50.5 3.9 15.8 37 91 A A S S- 0 0 43 2,-0.1 2,-2.1 -20,-0.1 5,-0.1 -0.998 73.6-111.5-148.7 154.5 -50.4 7.6 14.6 38 92 A E + 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.470 67.5 142.5 -80.4 72.1 -48.0 10.3 13.4 39 93 A T > - 0 0 56 -2,-2.1 4,-2.0 1,-0.1 3,-0.3 -0.790 65.3-116.8-120.3 159.3 -48.3 12.5 16.5 40 94 A G H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.841 114.3 55.5 -55.5 -40.5 -46.2 14.7 18.8 41 95 A Q H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 107.3 49.4 -62.9 -41.4 -46.8 12.4 21.8 42 96 A E H > S+ 0 0 55 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.898 112.3 46.9 -65.2 -43.0 -45.5 9.4 19.9 43 97 A T H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.878 111.8 50.6 -67.2 -39.1 -42.4 11.2 18.8 44 98 A A H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 112.7 47.1 -64.7 -44.4 -41.7 12.6 22.4 45 99 A Y H X S+ 0 0 140 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.914 111.6 49.2 -67.0 -41.3 -42.0 9.2 23.8 46 100 A F H X S+ 0 0 7 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.901 109.4 53.8 -64.3 -38.7 -39.8 7.6 21.2 47 101 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.942 107.7 49.9 -61.1 -46.8 -37.2 10.3 21.8 48 102 A L H X S+ 0 0 73 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.909 112.9 47.3 -52.9 -47.1 -37.2 9.6 25.6 49 103 A K H >X S+ 0 0 61 -4,-2.0 4,-0.7 1,-0.2 3,-0.7 0.956 113.9 46.3 -63.6 -46.4 -36.7 5.9 24.9 50 104 A L H >X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 3,-0.9 0.897 111.2 51.2 -64.9 -44.3 -33.9 6.5 22.3 51 105 A A H 3< S+ 0 0 25 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.707 104.0 59.3 -66.0 -20.9 -32.0 8.9 24.6 52 106 A G H << S+ 0 0 72 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.701 113.2 38.5 -80.0 -17.8 -32.1 6.5 27.5 53 107 A R H << S+ 0 0 130 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.742 122.0 26.0-106.0 -32.0 -30.3 3.9 25.5 54 108 A W S < S- 0 0 44 -4,-1.7 2,-1.5 -49,-0.0 -1,-0.2 -0.900 89.3 -97.5-132.3 157.7 -27.6 5.9 23.4 55 109 A P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.656 49.7-174.6 -82.8 94.6 -25.9 9.2 24.0 56 110 A V + 0 0 13 -2,-1.5 -50,-0.1 -5,-0.3 3,-0.1 -0.776 20.7 156.3 -96.6 112.7 -28.2 11.3 21.8 57 111 A K + 0 0 87 -52,-1.6 25,-3.6 -2,-0.6 2,-0.4 0.822 66.7 18.4-104.0 -42.7 -27.1 15.0 21.5 58 112 A T E -ad 6 82A 14 -53,-2.2 -51,-2.1 23,-0.2 2,-0.4 -0.974 59.9-163.6-130.7 147.2 -28.7 16.1 18.3 59 113 A V E -ad 7 83A 0 23,-1.4 25,-2.5 -2,-0.4 2,-0.3 -0.984 6.3-166.5-125.5 136.8 -31.6 14.8 16.1 60 114 A H E -a 8 0A 20 -53,-2.7 -51,-2.6 -2,-0.4 2,-0.3 -0.784 6.1-176.7-113.7 163.4 -32.3 15.8 12.5 61 115 A T - 0 0 6 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.955 33.7-132.2-151.0 158.7 -35.5 15.1 10.5 62 116 A D S S+ 0 0 76 -53,-0.4 2,-0.3 -2,-0.3 -52,-0.1 0.324 103.5 54.5 -93.5 1.2 -36.6 15.7 7.0 63 117 A N > - 0 0 70 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.760 65.8-174.1-132.9 95.4 -39.9 17.2 8.2 64 118 A G G > S+ 0 0 41 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.767 81.1 69.1 -56.4 -31.9 -39.1 20.0 10.7 65 119 A S G > S+ 0 0 72 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.751 83.6 74.6 -58.7 -24.7 -42.8 20.4 11.5 66 120 A N G < S+ 0 0 26 -3,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.720 99.6 44.3 -54.2 -32.1 -42.5 17.0 13.3 67 121 A F G < S+ 0 0 11 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.111 86.0 92.3-107.2 18.8 -40.6 18.7 16.2 68 122 A T < + 0 0 95 -3,-1.5 -1,-0.1 4,-0.1 -2,-0.1 0.678 58.4 98.6 -90.4 -21.0 -42.7 21.9 16.7 69 123 A S S > S- 0 0 41 -4,-0.3 4,-2.4 -3,-0.2 5,-0.2 -0.333 76.1-127.2 -69.0 153.1 -45.1 20.7 19.5 70 124 A T H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 109.5 64.5 -63.8 -31.7 -44.4 21.6 23.2 71 125 A T H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 108.2 37.7 -58.9 -46.9 -44.7 17.9 23.9 72 126 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 114.9 53.6 -72.5 -45.5 -41.7 17.0 21.7 73 127 A K H X S+ 0 0 129 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.839 107.6 53.0 -60.5 -32.0 -39.7 20.1 22.8 74 128 A T H X S+ 0 0 79 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.924 106.9 50.9 -69.4 -43.0 -40.3 19.1 26.5 75 129 A A H X S+ 0 0 6 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.919 114.5 44.1 -55.5 -47.7 -38.9 15.5 25.8 76 130 A C H X>S+ 0 0 19 -4,-2.4 5,-2.5 2,-0.2 4,-1.1 0.908 112.5 53.2 -64.5 -40.9 -35.8 17.1 24.2 77 131 A W H ><5S+ 0 0 189 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.980 113.9 42.0 -53.6 -54.6 -35.5 19.6 27.0 78 132 A W H 3<5S+ 0 0 191 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.869 118.8 42.8 -66.2 -41.0 -35.6 16.8 29.6 79 133 A A H 3<5S- 0 0 32 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.526 111.3-118.3 -80.9 -7.8 -33.3 14.5 27.8 80 134 A G T <<5 + 0 0 48 -4,-1.1 2,-0.3 -3,-1.0 -3,-0.2 0.819 58.1 156.4 69.9 33.8 -30.9 17.3 26.9 81 135 A I < - 0 0 9 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.727 28.6-156.2 -89.8 140.5 -31.3 16.8 23.1 82 136 A K E -d 58 0A 148 -25,-3.6 -23,-1.4 -2,-0.3 2,-0.5 -0.823 24.8-116.0-103.2 153.6 -30.6 19.7 20.6 83 137 A Q E -d 59 0A 75 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.816 39.2-114.9 -89.3 130.7 -32.2 19.7 17.2 84 138 A E + 0 0 32 -25,-2.5 -23,-0.2 -2,-0.5 -1,-0.0 -0.386 37.8 170.4 -69.1 138.1 -29.5 19.4 14.6 85 139 A F + 0 0 167 -2,-0.1 -1,-0.1 -25,-0.1 -25,-0.0 0.430 62.7 81.3-122.5 -4.7 -28.8 22.3 12.1 86 140 A G S S+ 0 0 57 1,-0.1 -2,-0.0 2,-0.1 -26,-0.0 0.564 80.1 70.6 -82.9 -12.1 -25.5 21.1 10.5 87 141 A I S S- 0 0 50 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 -0.887 75.1-162.6-101.7 98.7 -27.2 18.7 8.0 88 142 A P - 0 0 114 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.265 19.6-107.7 -75.0 176.1 -29.0 20.9 5.5 89 143 A Y - 0 0 142 -2,-0.0 -27,-0.0 -27,-0.0 -2,-0.0 -0.885 11.9-143.8-117.4 128.1 -31.8 19.5 3.2 90 144 A N 0 0 137 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.809 360.0 360.0 -89.6 129.4 -31.8 18.8 -0.5 91 145 A P 0 0 147 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.244 360.0 360.0 -43.7 360.0 -35.3 19.6 -2.0 92 ! 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 93 152 A E 0 0 126 0, 0.0 -68,-0.0 0, 0.0 -65,-0.0 0.000 360.0 360.0 360.0 119.4 -29.5 8.2 3.1 94 153 A S + 0 0 58 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.027 360.0 147.5 -96.4 123.5 -32.0 6.9 2.4 95 154 A M S S+ 0 0 72 1,-0.2 4,-0.4 2,-0.1 5,-0.0 0.061 71.0 77.3 -89.5 19.1 -31.5 3.9 4.6 96 155 A N S > S+ 0 0 16 2,-0.1 4,-1.6 3,-0.1 -1,-0.2 0.657 87.1 53.9 -93.3 -28.3 -35.3 4.1 4.7 97 156 A K H > S+ 0 0 136 -3,-0.3 4,-2.3 1,-0.2 -2,-0.1 0.887 107.6 50.6 -71.2 -41.6 -35.8 2.6 1.2 98 157 A E H > S+ 0 0 49 -4,-0.4 4,-3.9 2,-0.3 5,-0.2 0.862 106.7 52.2 -61.7 -45.4 -33.7 -0.5 2.2 99 158 A L H > S+ 0 0 0 -4,-0.4 4,-3.3 2,-0.2 5,-0.2 0.979 109.9 51.7 -65.5 -23.9 -35.7 -1.1 5.3 100 159 A K H X S+ 0 0 82 -4,-1.6 4,-2.4 1,-0.2 -2,-0.3 0.938 112.1 46.2 -75.5 -34.8 -38.8 -0.9 3.0 101 160 A K H X S+ 0 0 120 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.942 113.3 48.5 -67.8 -47.3 -37.1 -3.5 0.7 102 161 A I H X S+ 0 0 8 -4,-3.9 4,-1.7 1,-0.2 -2,-0.2 0.920 109.1 53.6 -59.0 -40.7 -36.2 -5.7 3.7 103 162 A I H X S+ 0 0 4 -4,-3.3 4,-1.5 1,-0.2 3,-0.4 0.936 107.0 50.6 -61.1 -47.3 -39.8 -5.5 5.1 104 163 A G H < S+ 0 0 52 -4,-2.4 3,-0.4 -5,-0.2 4,-0.4 0.909 108.2 55.0 -56.4 -41.0 -41.3 -6.7 1.8 105 164 A Q H < S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 120.0 28.8 -63.5 -35.9 -38.8 -9.6 1.8 106 165 A V H >< S+ 0 0 11 -4,-1.7 3,-3.0 -3,-0.4 4,-0.3 0.442 88.2 110.3-100.8 -0.6 -39.8 -10.9 5.3 107 166 A R G >< S+ 0 0 56 -4,-1.5 3,-1.0 -3,-0.4 -1,-0.1 0.783 76.2 51.4 -50.5 -37.2 -43.5 -9.7 5.2 108 167 A D G 3 S+ 0 0 140 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.458 92.5 75.0 -82.1 2.1 -45.0 -13.2 5.0 109 168 A Q G < S+ 0 0 133 -3,-3.0 2,-0.3 1,-0.1 -1,-0.2 0.502 102.7 40.8 -88.1 0.5 -43.0 -14.5 8.0 110 169 A A < - 0 0 17 -3,-1.0 -1,-0.1 -4,-0.3 6,-0.0 -0.995 65.3-142.2-149.8 144.2 -45.3 -12.5 10.3 111 170 A E S S+ 0 0 165 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.964 88.9 55.7 -65.6 -58.0 -49.0 -11.6 10.7 112 171 A H S > S- 0 0 86 1,-0.1 4,-1.8 4,-0.0 3,-0.3 -0.575 73.5-137.8 -87.6 142.7 -48.3 -8.0 11.9 113 172 A L H > S+ 0 0 5 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.876 105.1 62.9 -55.9 -38.6 -46.3 -5.4 10.2 114 173 A K H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 104.8 46.4 -60.7 -40.7 -44.8 -4.4 13.5 115 174 A T H > S+ 0 0 59 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 111.2 50.7 -61.1 -51.0 -43.2 -7.9 13.7 116 175 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.913 108.5 55.0 -52.2 -44.7 -42.0 -7.7 10.1 117 176 A V H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.911 108.3 45.6 -55.7 -52.0 -40.4 -4.3 10.9 118 177 A Q H X S+ 0 0 80 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.872 111.3 55.1 -63.8 -36.9 -38.4 -5.6 13.9 119 178 A M H X S+ 0 0 63 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.935 110.2 45.2 -54.6 -46.3 -37.3 -8.5 11.7 120 179 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.826 110.0 53.3 -69.2 -37.0 -36.1 -6.0 9.1 121 180 A V H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 -91,-0.2 0.925 110.5 49.3 -58.7 -44.1 -34.3 -3.9 11.7 122 181 A F H X S+ 0 0 132 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.947 113.1 44.8 -62.6 -51.0 -32.5 -7.0 12.9 123 182 A I H X S+ 0 0 67 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.940 114.6 50.1 -62.9 -41.8 -31.4 -8.0 9.4 124 183 A H H < S+ 0 0 14 -4,-2.6 13,-0.5 1,-0.2 3,-0.3 0.902 113.2 44.5 -62.1 -44.9 -30.4 -4.5 8.6 125 184 A N H < S+ 0 0 6 -4,-2.7 13,-2.6 1,-0.2 14,-0.4 0.774 117.6 43.4 -76.1 -29.3 -28.2 -4.0 11.7 126 185 A K H < S+ 0 0 115 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.541 84.4 118.3 -90.6 -8.1 -26.5 -7.4 11.5 127 186 A K < - 0 0 90 -4,-1.2 2,-0.6 -3,-0.3 10,-0.5 -0.410 69.1-125.9 -65.6 121.6 -25.9 -7.2 7.7 128 187 A R E -E 136 0B 155 -2,-0.2 2,-1.7 8,-0.2 8,-0.2 -0.590 12.0-154.0 -69.3 111.3 -22.1 -7.4 7.0 129 188 A K E -E 135 0B 59 6,-1.9 2,-1.4 -2,-0.6 6,-0.5 -0.705 30.5-153.1 -87.3 85.8 -21.4 -4.3 4.9 130 189 A G 0 0 67 -2,-1.7 -1,-0.1 4,-0.2 -2,-0.1 -0.493 360.0 360.0 -91.6 78.2 -18.5 -6.3 3.7 131 190 A G 0 0 91 -2,-1.4 -1,-0.1 4,-0.1 3,-0.1 -0.579 360.0 360.0-109.9 360.0 -15.5 -4.3 2.4 132 ! 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 0.0 133 192 A G 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 46.1 -13.2 -4.1 6.7 134 193 A G + 0 0 31 -5,-0.5 2,-0.3 1,-0.2 -4,-0.2 0.901 360.0 157.5 69.7 54.2 -16.7 -5.6 6.7 135 194 A Y E -E 129 0B 115 -6,-0.5 -6,-1.9 -7,-0.1 2,-0.2 -0.691 36.3-125.3 -97.1 157.4 -18.5 -4.5 9.9 136 195 A S E > -E 128 0B 7 -2,-0.3 4,-2.6 -8,-0.2 -8,-0.2 -0.587 29.1-108.4 -88.8 162.2 -22.2 -4.4 10.3 137 196 A A H > S+ 0 0 4 -10,-0.5 4,-2.8 -13,-0.5 -108,-0.3 0.911 121.2 56.6 -54.9 -40.1 -24.1 -1.3 11.4 138 197 A G H > S+ 0 0 15 -13,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.912 111.7 43.0 -59.6 -39.8 -24.7 -2.9 14.9 139 198 A E H > S+ 0 0 107 -14,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.886 113.1 52.7 -70.7 -40.1 -20.9 -3.4 15.2 140 199 A R H X S+ 0 0 72 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.920 105.6 51.9 -66.3 -44.7 -20.1 0.1 13.9 141 200 A I H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.940 112.7 46.1 -56.6 -46.4 -22.4 2.0 16.3 142 201 A V H X S+ 0 0 85 -4,-1.2 4,-2.6 -5,-0.3 5,-0.3 0.936 112.8 49.4 -64.9 -45.0 -20.8 0.3 19.2 143 202 A D H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.931 113.8 47.6 -53.7 -47.0 -17.2 0.8 17.9 144 203 A I H X S+ 0 0 40 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.935 114.7 42.8 -65.6 -48.6 -18.0 4.5 17.3 145 204 A I H X S+ 0 0 20 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.934 115.3 49.7 -69.0 -43.6 -19.5 5.3 20.7 146 205 A A H >X S+ 0 0 52 -4,-2.6 4,-2.9 -5,-0.3 3,-0.6 0.867 111.5 48.3 -56.6 -43.0 -16.9 3.3 22.7 147 206 A T H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.938 107.1 56.5 -67.5 -43.3 -14.0 5.0 20.9 148 207 A D H 3< S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.656 112.5 43.1 -62.1 -17.5 -15.6 8.3 21.6 149 208 A I H << 0 0 137 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.883 360.0 360.0 -85.6 -60.2 -15.6 7.4 25.3 150 209 A Q < 0 0 120 -4,-2.9 -3,-0.1 -5,-0.1 -4,-0.0 0.726 360.0 360.0 -78.4 360.0 -12.0 5.9 25.3