==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-DEC-12 4ID1 . COMPND 2 MOLECULE: GAG-POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR L.FENG,M.KVARATSKHELIA . 142 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 73.9 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 . 19 13.4 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 . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 1 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 . 1 0 0 0 0 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 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 56 A C 0 0 109 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.4 19.5 -12.6 11.3 2 57 A S > - 0 0 58 1,-0.1 3,-1.2 2,-0.1 23,-0.4 -0.262 360.0-136.9 -59.7 139.2 20.3 -13.3 15.0 3 58 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.580 101.3 60.7 -69.8 -11.8 21.1 -10.2 17.1 4 59 A G T 3 S+ 0 0 4 51,-0.1 52,-2.1 49,-0.1 53,-2.0 0.419 81.4 105.7 -97.6 -1.7 24.0 -12.1 18.8 5 60 A I E < +a 57 0A 15 -3,-1.2 19,-1.4 51,-0.2 20,-0.5 -0.707 41.6 172.7 -90.6 129.1 26.0 -12.7 15.6 6 61 A W E -aB 58 23A 2 51,-1.9 53,-3.1 -2,-0.4 2,-0.4 -0.916 21.5-144.5-127.5 156.1 29.2 -10.8 14.7 7 62 A Q E -aB 59 22A 4 15,-2.3 15,-2.6 -2,-0.3 2,-0.4 -0.955 16.6-169.8-117.6 137.0 31.8 -11.2 12.1 8 63 A L E + B 0 21A 1 51,-2.8 53,-0.3 -2,-0.4 2,-0.3 -0.993 16.0 149.0-134.1 129.5 35.4 -10.5 12.8 9 64 A D E - B 0 20A 18 11,-2.1 11,-3.2 -2,-0.4 2,-0.3 -0.997 35.6-124.3-141.5 173.9 38.3 -10.2 10.3 10 65 A X E - B 0 19A 21 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.833 21.8-170.8-119.3 139.1 41.7 -8.3 9.9 11 66 A T E - B 0 18A 26 7,-2.6 7,-3.4 -2,-0.3 2,-0.4 -0.821 17.5-129.4-115.1 173.5 42.5 -6.2 6.8 12 67 A H E + B 0 17A 95 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.935 29.4 163.1-120.7 135.2 45.9 -4.7 6.0 13 68 A L E > S- B 0 16A 39 3,-1.7 3,-2.6 -2,-0.4 95,-0.1 -0.949 70.4 -6.2-152.0 130.5 46.6 -1.1 5.1 14 69 A E T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 94,-0.1 0.816 126.4 -59.6 55.6 33.4 49.9 0.8 5.0 15 70 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.564 117.1 109.4 73.0 6.4 51.7 -2.2 6.5 16 71 A K E < -B 13 0A 102 -3,-2.6 -3,-1.7 20,-0.0 2,-0.5 -0.629 67.5-117.9-108.7 173.2 49.4 -2.1 9.6 17 72 A V E -BC 12 34A 16 17,-0.9 17,-2.3 -2,-0.2 2,-0.6 -0.936 18.3-162.7-118.4 128.0 46.6 -4.4 10.7 18 73 A I E -BC 11 33A 1 -7,-3.4 -7,-2.6 -2,-0.5 2,-0.6 -0.942 6.9-154.8-113.4 119.1 43.0 -3.4 11.2 19 74 A L E -BC 10 32A 0 13,-2.8 13,-1.8 -2,-0.6 2,-0.5 -0.823 17.5-168.4 -88.8 123.3 40.7 -5.6 13.2 20 75 A V E -BC 9 31A 3 -11,-3.2 -11,-2.1 -2,-0.6 2,-0.4 -0.964 9.5-169.2-120.2 123.2 37.1 -5.1 12.0 21 76 A A E -BC 8 30A 0 9,-3.3 9,-2.3 -2,-0.5 2,-0.4 -0.937 6.2-166.9-109.3 136.7 34.0 -6.4 13.8 22 77 A V E -BC 7 29A 4 -15,-2.6 -15,-2.3 -2,-0.4 2,-0.9 -0.985 21.5-138.7-123.2 129.3 30.6 -6.2 12.1 23 78 A H E >>> -BC 6 28A 0 5,-2.8 4,-3.1 -2,-0.4 3,-0.8 -0.810 23.9-151.3 -83.2 108.9 27.3 -6.8 13.8 24 79 A V T 345S+ 0 0 46 -19,-1.4 -1,-0.2 -2,-0.9 -18,-0.1 0.872 86.2 51.5 -58.2 -45.6 25.7 -8.8 11.1 25 80 A A T 345S+ 0 0 33 -20,-0.5 -1,-0.2 -23,-0.4 -19,-0.1 0.809 125.2 23.9 -60.5 -33.8 22.0 -7.9 11.7 26 81 A S T <45S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.702 93.4-123.8-106.4 -26.1 22.7 -4.1 11.7 27 82 A G T <5 + 0 0 15 -4,-3.1 104,-0.2 1,-0.3 -3,-0.1 0.469 57.7 151.7 86.5 2.2 25.8 -3.4 9.7 28 83 A Y E < -C 23 0A 29 -5,-0.5 -5,-2.8 103,-0.3 2,-0.4 -0.440 27.9-157.8 -66.2 140.4 27.3 -1.6 12.8 29 84 A I E -C 22 0A 0 87,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.915 20.2-174.9-120.5 146.7 31.1 -1.7 12.9 30 85 A E E +C 21 0A 21 -9,-2.3 -9,-3.3 -2,-0.4 2,-0.3 -0.988 17.8 174.8-130.2 145.9 33.8 -1.4 15.5 31 86 A A E -C 20 0A 5 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.972 16.5-172.0-142.1 163.3 37.5 -1.5 14.7 32 87 A E E -C 19 0A 78 -13,-1.8 -13,-2.8 -2,-0.3 2,-0.6 -0.984 28.3-124.0-149.9 149.6 41.0 -1.1 16.1 33 88 A V E -C 18 0A 34 -2,-0.3 -15,-0.2 -15,-0.2 76,-0.0 -0.870 37.0-157.5 -94.4 125.4 44.5 -0.9 14.6 34 89 A I E -C 17 0A 8 -17,-2.3 -17,-0.9 -2,-0.6 3,-0.1 -0.768 22.8-131.1-113.6 150.2 46.5 -3.6 16.2 35 90 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.715 90.8 11.7 -76.6 -18.1 50.2 -3.9 16.6 36 91 A A S S- 0 0 39 2,-0.1 2,-1.6 -19,-0.1 5,-0.1 -0.984 72.2-117.7-152.5 148.1 50.3 -7.5 15.3 37 92 A E + 0 0 82 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.659 69.6 135.3 -81.3 84.4 47.9 -10.0 13.6 38 93 A T S > S- 0 0 59 -2,-1.6 4,-2.1 1,-0.1 3,-0.3 -0.908 70.1-113.1-137.3 157.2 48.0 -12.4 16.6 39 94 A G H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.879 114.9 57.8 -58.9 -38.4 45.7 -14.5 18.8 40 95 A Q H > S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 106.8 46.6 -62.4 -38.9 46.4 -12.4 21.8 41 96 A E H > S+ 0 0 53 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.910 114.0 48.9 -69.9 -40.3 45.2 -9.2 20.1 42 97 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 111.3 49.8 -61.8 -44.4 42.1 -11.0 18.8 43 98 A A H X S+ 0 0 9 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.919 112.0 47.6 -60.1 -48.5 41.4 -12.4 22.3 44 99 A Y H X S+ 0 0 135 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.910 111.2 50.7 -61.6 -42.0 41.7 -9.0 23.9 45 100 A F H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 108.9 52.1 -62.2 -43.7 39.5 -7.4 21.2 46 101 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.881 105.9 54.4 -62.6 -36.8 36.8 -10.1 21.8 47 102 A L H X S+ 0 0 72 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.930 111.5 44.5 -62.3 -42.9 36.8 -9.4 25.6 48 103 A K H X S+ 0 0 71 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.929 114.4 49.4 -62.5 -49.4 36.2 -5.7 25.0 49 104 A L H >X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 3,-1.0 0.912 109.6 51.0 -56.2 -45.4 33.5 -6.4 22.4 50 105 A A H 3< S+ 0 0 24 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.795 104.0 58.5 -68.7 -25.5 31.7 -8.9 24.6 51 106 A G H 3< S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.709 113.8 38.8 -76.7 -15.8 31.6 -6.4 27.6 52 107 A R H << S+ 0 0 131 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.839 120.7 29.5-100.4 -44.2 29.7 -4.0 25.4 53 108 A W S < S- 0 0 40 -4,-2.2 2,-1.6 -49,-0.0 -1,-0.1 -0.778 86.3-101.4-119.6 160.3 27.2 -6.1 23.4 54 109 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.631 48.1-171.8 -83.6 85.2 25.5 -9.4 23.9 55 110 A V + 0 0 10 -2,-1.6 -50,-0.1 -5,-0.3 3,-0.1 -0.673 20.3 159.9 -85.9 112.4 27.9 -11.4 21.8 56 111 A K + 0 0 123 -52,-2.1 25,-2.6 -2,-0.6 2,-0.3 0.827 64.7 9.1 -99.2 -45.0 26.6 -15.0 21.3 57 112 A T E -ad 5 81A 27 -53,-2.0 -51,-1.9 23,-0.2 2,-0.4 -0.980 59.6-155.0-140.5 149.1 28.5 -16.2 18.2 58 113 A V E -ad 6 82A 0 23,-1.7 25,-2.4 -2,-0.3 2,-0.3 -0.997 7.6-168.4-128.4 133.0 31.3 -14.9 16.1 59 114 A H E -a 7 0A 28 -53,-3.1 -51,-2.8 -2,-0.4 2,-0.3 -0.774 6.1-178.3-110.0 157.3 32.1 -15.7 12.4 60 115 A T - 0 0 8 23,-0.3 3,-0.2 -2,-0.3 -51,-0.2 -0.982 33.8-132.9-147.6 160.7 35.2 -15.0 10.4 61 116 A D S S+ 0 0 117 -2,-0.3 2,-0.4 -53,-0.3 -52,-0.1 0.406 103.5 55.1 -93.3 -0.4 36.4 -15.5 6.8 62 117 A N > - 0 0 75 1,-0.1 3,-2.5 2,-0.0 4,-0.2 -0.775 68.6-172.1-131.7 91.9 39.8 -16.8 8.1 63 118 A G G > S+ 0 0 43 -2,-0.4 3,-2.0 1,-0.3 4,-0.1 0.767 81.1 68.4 -55.9 -35.4 39.0 -19.8 10.4 64 119 A S G > S+ 0 0 76 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.703 82.2 78.0 -60.4 -17.9 42.6 -20.1 11.5 65 120 A N G < S+ 0 0 18 -3,-2.5 3,-0.4 1,-0.2 -1,-0.3 0.786 96.0 47.2 -52.6 -33.7 42.1 -16.7 13.2 66 121 A F G < S+ 0 0 4 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.314 85.4 89.3-102.3 10.8 40.3 -18.6 16.0 67 122 A T < + 0 0 87 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.1 0.667 58.9 105.5 -76.6 -16.7 42.7 -21.5 16.7 68 123 A S S > S- 0 0 31 -3,-0.4 4,-2.4 -4,-0.3 5,-0.2 -0.289 73.8-129.8 -72.5 151.9 44.9 -20.0 19.3 69 124 A T H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.841 109.3 59.5 -65.2 -28.9 44.4 -21.1 22.9 70 125 A T H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 108.0 43.5 -70.0 -43.8 44.2 -17.4 23.8 71 126 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 112.9 52.3 -65.1 -45.9 41.2 -16.8 21.6 72 127 A K H X S+ 0 0 125 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.897 109.2 51.3 -57.3 -36.9 39.6 -20.0 22.8 73 128 A A H X S+ 0 0 52 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.905 109.5 48.2 -66.0 -41.5 40.1 -18.8 26.4 74 129 A A H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 113.8 46.1 -67.2 -47.2 38.5 -15.4 25.7 75 130 A X H X>S+ 0 0 16 -4,-2.4 5,-3.1 2,-0.2 4,-0.9 0.934 114.8 51.4 -61.2 -36.6 35.3 -17.1 23.9 76 131 A W H ><5S+ 0 0 195 -4,-2.9 3,-0.8 -5,-0.2 -2,-0.2 0.966 113.3 42.8 -59.4 -50.7 35.2 -19.6 26.9 77 132 A W H 3<5S+ 0 0 187 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.901 118.7 42.5 -64.9 -40.6 35.3 -16.8 29.5 78 133 A A H 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.524 111.4-114.7 -86.7 -4.2 32.8 -14.6 27.8 79 134 A G T <<5 + 0 0 55 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.2 0.852 62.8 151.7 75.6 35.1 30.4 -17.4 26.8 80 135 A I < - 0 0 10 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.799 27.4-162.5-100.6 140.1 30.9 -17.0 23.0 81 136 A K E -d 57 0A 159 -25,-2.6 -23,-1.7 -2,-0.4 2,-0.3 -0.828 27.2-104.7-114.8 156.6 30.6 -19.8 20.5 82 137 A Q E -d 58 0A 59 -2,-0.3 2,-0.6 -25,-0.2 -23,-0.2 -0.619 27.6-136.8 -75.1 139.8 32.0 -19.9 16.9 83 138 A E + 0 0 43 -25,-2.4 -23,-0.3 -2,-0.3 3,-0.1 -0.904 34.4 160.6 -95.2 120.6 29.4 -19.4 14.2 84 139 A F + 0 0 163 -2,-0.6 2,-0.4 -25,-0.1 -1,-0.2 0.662 58.4 80.8-104.2 -31.4 30.0 -21.9 11.4 85 140 A G 0 0 71 -26,-0.0 -1,-0.1 0, 0.0 -26,-0.0 0.079 360.0 360.0 -74.1 22.5 26.4 -21.6 9.8 86 141 A I 0 0 112 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.823 360.0 360.0 -88.2 360.0 26.9 -18.4 7.8 87 ! 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 88 152 A E 0 0 118 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.5 30.2 -7.3 2.7 89 153 A S > + 0 0 61 0, 0.0 4,-0.8 0, 0.0 3,-0.3 0.235 360.0 176.7 -61.5 135.9 33.1 -7.2 2.5 90 154 A M H >>S+ 0 0 34 -2,-0.2 4,-3.7 2,-0.2 5,-0.6 0.716 76.7 78.5 -77.1 -25.9 32.5 -4.1 4.6 91 155 A N H 45S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.710 94.0 47.9 -56.4 -18.7 36.3 -4.2 4.5 92 156 A K H >5S+ 0 0 129 -3,-0.3 4,-1.9 2,-0.1 -1,-0.2 0.923 115.2 41.2 -78.8 -56.5 35.8 -2.7 1.0 93 157 A E H X5S+ 0 0 49 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.808 118.9 46.2 -63.1 -33.5 33.3 0.0 1.9 94 158 A L H X5S+ 0 0 5 -4,-3.7 4,-3.1 2,-0.2 -1,-0.2 0.875 111.8 51.7 -78.1 -36.3 35.2 0.9 5.1 95 159 A K H >< S+ 0 0 9 -4,-1.9 3,-2.1 -3,-0.2 4,-0.2 0.439 89.0 106.6-105.3 -2.7 39.3 10.8 4.9 102 166 A R G >< S+ 0 0 55 -4,-1.1 3,-1.1 -3,-0.5 9,-0.1 0.775 77.1 51.0 -55.7 -37.0 43.0 9.6 5.0 103 167 A D G 3 S+ 0 0 140 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.618 96.4 72.3 -78.0 -11.9 44.7 13.0 4.3 104 168 A Q G < S+ 0 0 125 -3,-2.1 2,-0.3 2,-0.0 -1,-0.2 0.449 102.0 42.9 -80.6 -2.5 42.6 14.6 7.1 105 169 A A < - 0 0 19 -3,-1.1 6,-0.0 -4,-0.2 -1,-0.0 -0.989 68.1-140.5-143.2 151.5 44.6 12.8 9.8 106 170 A E S S+ 0 0 156 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.956 85.6 54.7 -70.2 -58.5 48.2 11.9 10.5 107 171 A H S >> S- 0 0 98 1,-0.1 4,-1.8 4,-0.0 3,-0.5 -0.604 74.7-135.1 -85.6 139.2 47.8 8.4 11.8 108 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.889 107.2 59.3 -53.0 -42.1 46.1 5.6 10.0 109 173 A K H 3> S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 103.1 52.6 -59.9 -35.1 44.3 4.6 13.3 110 174 A T H <> S+ 0 0 60 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.947 109.8 47.1 -66.7 -45.0 42.8 8.1 13.4 111 175 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.860 108.6 56.9 -60.3 -38.0 41.4 7.8 9.9 112 176 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.947 108.5 45.1 -58.2 -48.8 40.1 4.3 10.8 113 177 A Q H X S+ 0 0 75 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 111.4 53.1 -70.6 -33.0 38.0 5.7 13.6 114 178 A M H X S+ 0 0 54 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.934 110.9 47.9 -60.8 -41.3 36.8 8.6 11.5 115 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.884 109.5 52.1 -69.6 -35.9 35.7 6.1 8.9 116 180 A V H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 -87,-0.2 0.950 110.9 48.0 -59.9 -47.7 33.9 4.0 11.6 117 181 A F H X S+ 0 0 132 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.937 112.6 47.9 -57.9 -52.3 32.1 7.0 12.8 118 182 A I H X S+ 0 0 66 -4,-2.6 4,-1.6 1,-0.2 3,-0.2 0.948 114.0 47.9 -56.0 -48.6 31.0 8.0 9.2 119 183 A H H < S+ 0 0 19 -4,-2.8 12,-0.5 1,-0.2 3,-0.2 0.918 113.6 45.3 -56.4 -49.7 29.9 4.5 8.5 120 184 A N H < S+ 0 0 13 -4,-2.8 12,-2.7 1,-0.2 13,-0.4 0.745 114.7 47.5 -72.2 -24.7 27.9 4.0 11.7 121 185 A K H < S+ 0 0 128 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.686 82.3 114.4 -91.7 -19.5 26.1 7.4 11.5 122 186 A K < - 0 0 107 -4,-1.6 9,-0.6 -3,-0.2 2,-0.3 -0.347 67.4-129.0 -58.6 116.4 25.1 7.3 7.8 123 187 A R B -E 130 0B 151 -2,-0.3 2,-1.1 7,-0.2 7,-0.2 -0.497 11.4-150.1 -55.8 122.0 21.3 7.2 7.3 124 188 A K - 0 0 61 5,-1.5 2,-0.7 -2,-0.3 5,-0.3 -0.643 29.9-179.9 -99.6 74.1 20.7 4.2 4.9 125 189 A G 0 0 62 -2,-1.1 -2,-0.0 3,-0.3 5,-0.0 -0.708 360.0 360.0 -91.1 109.1 17.6 6.0 3.5 126 190 A G 0 0 121 -2,-0.7 -2,-0.1 0, 0.0 0, 0.0 -0.962 360.0 360.0-175.6 360.0 15.6 4.2 0.8 127 ! 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 0.0 128 193 A G 0 0 64 0, 0.0 -3,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 66.5 16.2 5.0 6.6 129 194 A Y - 0 0 162 -5,-0.3 -5,-1.5 -6,-0.2 2,-0.1 -0.487 360.0-110.4 -88.7 159.5 18.1 4.5 9.9 130 195 A S B > -E 123 0B 7 -7,-0.2 4,-2.4 -2,-0.1 3,-0.3 -0.432 29.8-108.3 -78.1 162.1 21.9 4.4 10.4 131 196 A A H > S+ 0 0 1 -9,-0.6 4,-2.6 -12,-0.5 -103,-0.3 0.904 121.5 54.2 -53.2 -44.2 23.8 1.3 11.4 132 197 A G H > S+ 0 0 20 -12,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.834 110.1 46.1 -61.9 -33.2 24.4 2.8 14.9 133 198 A E H > S+ 0 0 101 -13,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.890 111.9 51.9 -72.6 -40.8 20.6 3.3 15.3 134 199 A R H X S+ 0 0 78 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.905 107.0 51.3 -66.4 -42.6 19.8 -0.2 14.0 135 200 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.940 111.3 47.1 -63.0 -43.3 22.1 -2.0 16.4 136 201 A V H X S+ 0 0 89 -4,-1.1 4,-2.3 -5,-0.2 5,-0.2 0.927 116.1 45.6 -63.8 -39.6 20.7 -0.2 19.4 137 202 A D H X S+ 0 0 104 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.965 112.6 50.0 -66.7 -50.9 17.1 -0.9 18.2 138 203 A I H X S+ 0 0 47 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.916 116.3 41.3 -52.5 -50.9 17.7 -4.6 17.4 139 204 A I H X S+ 0 0 22 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.903 115.3 49.2 -68.6 -44.8 19.4 -5.3 20.8 140 205 A A H >X S+ 0 0 51 -4,-2.3 4,-1.3 -5,-0.3 3,-0.7 0.923 112.0 49.4 -58.6 -48.6 16.8 -3.3 22.9 141 206 A T H 3< S+ 0 0 87 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.896 108.7 53.6 -55.8 -43.4 13.9 -5.0 21.1 142 207 A D H 3< S+ 0 0 104 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.689 100.9 60.0 -68.6 -20.7 15.6 -8.4 21.8 143 208 A I H << 0 0 134 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.897 360.0 360.0 -68.3 -41.3 15.8 -7.6 25.5 144 209 A Q < 0 0 210 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.430 360.0 360.0 -89.1 360.0 12.0 -7.3 25.5