==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 28-APR-00 1EX4 . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.C.-H.CHEN,J.KRUCINSKI,L.J.W.MIERCKE,J.S.FINER-MOORE,A.H.TA . 416 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 6 1.4 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 . 2 0.5 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 . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 1 0 1 0 1 2 2 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 3 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 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 S > 0 0 94 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 95.2 -16.2 47.8 -24.6 2 57 A S G > + 0 0 81 1,-0.3 3,-0.7 2,-0.2 23,-0.5 0.748 360.0 66.7 -54.5 -26.4 -12.9 46.0 -25.3 3 58 A P G 3 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 147,-0.0 0.208 107.5 38.3 -82.8 19.5 -14.6 42.6 -24.6 4 59 A G G < S+ 0 0 0 -3,-1.7 53,-2.6 51,-0.1 52,-1.6 0.294 85.1 119.1-146.6 6.4 -16.8 43.0 -27.7 5 60 A I E < +a 57 0A 32 -3,-0.7 20,-0.4 -4,-0.3 2,-0.4 -0.666 34.3 175.6 -85.1 129.2 -14.4 44.5 -30.2 6 61 A W E -a 58 0A 1 51,-1.9 53,-2.2 -2,-0.4 2,-0.5 -0.999 18.5-152.8-136.2 133.0 -13.7 42.6 -33.4 7 62 A Q E -aB 59 22A 16 15,-2.7 15,-2.4 -2,-0.4 2,-0.5 -0.909 13.3-161.2-105.5 128.5 -11.6 43.6 -36.5 8 63 A L E +aB 60 21A 3 51,-0.7 53,-0.7 -2,-0.5 2,-0.3 -0.941 15.8 166.7-115.4 128.7 -12.5 42.0 -39.8 9 64 A D E - B 0 20A 6 11,-1.6 11,-1.5 -2,-0.5 2,-0.4 -0.998 26.0-141.8-142.8 144.4 -10.2 41.9 -42.8 10 65 A C E + B 0 19A 14 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.882 22.7 177.8-106.1 132.6 -9.9 40.1 -46.2 11 66 A T E - B 0 18A 9 7,-1.4 7,-1.7 -2,-0.4 2,-0.4 -0.852 21.7-128.5-127.3 164.5 -6.5 39.0 -47.5 12 67 A H E - B 0 17A 110 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 21.5-174.9-121.3 135.2 -5.5 37.2 -50.6 13 68 A L E > - B 0 16A 41 3,-2.5 3,-0.7 -2,-0.4 -2,-0.0 -0.977 60.0 -45.1-138.1 126.5 -3.3 34.1 -50.8 14 69 A E T 3 S- 0 0 133 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.538 132.3 -7.1 34.3 17.4 -1.9 32.1 -53.8 15 70 A G T 3 S+ 0 0 66 1,-0.4 -1,-0.3 0, 0.0 2,-0.1 -0.301 120.8 9.8 172.3 -80.6 -5.3 32.2 -55.4 16 71 A K E < S-B 13 0A 127 -3,-0.7 -3,-2.5 1,-0.1 -1,-0.4 -0.338 73.1 -79.0-116.5-162.1 -8.4 33.6 -53.7 17 72 A V E -B 12 0A 1 18,-0.6 2,-0.3 17,-0.3 -5,-0.2 -0.562 28.2-161.9-102.1 164.6 -9.5 35.5 -50.6 18 73 A I E -B 11 0A 1 -7,-1.7 -7,-1.4 15,-0.2 2,-0.3 -0.997 19.7-124.1-146.4 140.2 -10.2 34.6 -47.0 19 74 A L E -BC 10 32A 0 13,-2.9 13,-2.5 -2,-0.3 2,-0.4 -0.683 24.8-169.7 -85.1 135.8 -12.1 36.2 -44.1 20 75 A V E -BC 9 31A 0 -11,-1.5 -11,-1.6 -2,-0.3 2,-0.4 -0.871 3.7-171.0-133.2 101.3 -10.1 36.9 -40.9 21 76 A A E -BC 8 30A 0 9,-1.7 9,-0.5 -2,-0.4 2,-0.4 -0.766 8.1-169.5 -91.9 130.9 -11.9 38.0 -37.7 22 77 A V E -BC 7 29A 0 -15,-2.4 -15,-2.7 -2,-0.4 2,-1.4 -0.979 22.2-142.5-128.2 125.3 -9.7 39.1 -34.8 23 78 A H >> - 0 0 1 5,-2.4 4,-2.9 -2,-0.4 3,-1.6 -0.690 21.4-153.6 -85.0 89.9 -10.8 39.8 -31.2 24 79 A V T 34 S+ 0 0 43 -2,-1.4 -1,-0.2 -19,-0.4 -18,-0.1 0.757 85.4 55.4 -30.6 -55.0 -8.5 42.8 -30.6 25 80 A A T 34 S+ 0 0 46 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.836 124.2 19.3 -55.3 -41.8 -8.3 42.3 -26.8 26 81 A S T <4 S- 0 0 4 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.736 95.1-120.1-104.5 -27.9 -7.0 38.7 -26.9 27 82 A G < + 0 0 14 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.241 54.1 159.8 101.8 -10.5 -5.6 38.2 -30.4 28 83 A Y - 0 0 0 -5,-0.5 -5,-2.4 111,-0.4 -1,-0.3 -0.276 22.6-164.1 -51.3 106.4 -8.1 35.4 -30.9 29 84 A I E -C 22 0A 0 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.1 -0.265 17.1-176.0 -85.9 176.1 -8.2 35.0 -34.7 30 85 A E E +C 21 0A 7 -9,-0.5 -9,-1.7 -2,-0.1 2,-0.2 -0.305 11.4 176.2-177.9 81.6 -10.9 33.2 -36.7 31 86 A A E -C 20 0A 0 -11,-0.3 2,-0.3 88,-0.2 -11,-0.3 -0.574 6.1-176.3 -94.8 156.5 -10.3 33.0 -40.4 32 87 A E E -C 19 0A 22 -13,-2.5 -13,-2.9 -2,-0.2 2,-1.1 -0.981 32.6-114.6-152.2 137.5 -12.4 31.1 -43.1 33 88 A V - 0 0 39 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.644 34.9-165.8 -79.0 100.7 -11.9 30.7 -46.8 34 89 A I - 0 0 2 -2,-1.1 -17,-0.3 1,-0.2 -2,-0.0 -0.705 19.3-133.7 -86.5 135.5 -14.8 32.6 -48.4 35 90 A P S S+ 0 0 80 0, 0.0 -18,-0.6 0, 0.0 -1,-0.2 0.966 84.3 13.4 -49.9 -77.1 -15.4 31.9 -52.1 36 91 A A S S- 0 0 43 -20,-0.1 5,-0.1 -3,-0.1 2,-0.1 -0.428 79.1-114.7 -95.6 172.5 -15.8 35.4 -53.4 37 92 A E S S+ 0 0 72 -2,-0.1 2,-0.2 4,-0.1 28,-0.1 -0.246 71.3 131.7-101.0 43.9 -15.0 38.7 -51.7 38 93 A T S >> S- 0 0 65 1,-0.1 4,-1.7 -2,-0.1 3,-0.9 -0.591 71.7-117.6 -98.1 158.3 -18.7 39.7 -51.6 39 94 A G T 34 S+ 0 0 16 1,-0.2 4,-0.5 -2,-0.2 -1,-0.1 0.163 108.3 72.4 -78.1 19.7 -20.8 41.1 -48.8 40 95 A Q T 3> S+ 0 0 81 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.769 103.7 35.2 -98.7 -40.0 -23.0 38.0 -49.2 41 96 A E H <> S+ 0 0 54 -3,-0.9 4,-3.1 2,-0.2 5,-0.3 0.882 116.7 57.7 -78.2 -41.6 -20.4 35.6 -47.7 42 97 A T H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.946 103.3 49.4 -53.8 -57.7 -19.3 38.3 -45.2 43 98 A A H > S+ 0 0 11 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.832 116.1 47.0 -53.5 -31.8 -22.8 38.9 -43.7 44 99 A Y H >X S+ 0 0 34 -4,-0.7 4,-1.5 2,-0.2 3,-0.6 0.947 109.7 48.3 -75.1 -52.6 -23.0 35.1 -43.3 45 100 A F H 3X S+ 0 0 7 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.797 113.9 51.0 -56.7 -30.8 -19.5 34.5 -41.8 46 101 A L H 3X S+ 0 0 7 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.3 0.750 103.7 58.4 -78.8 -26.3 -20.3 37.4 -39.4 47 102 A L H << S+ 0 0 21 -4,-0.7 4,-0.4 -3,-0.6 -2,-0.2 0.815 110.3 41.8 -72.3 -32.1 -23.7 35.7 -38.5 48 103 A K H X S+ 0 0 19 -4,-1.5 4,-1.6 2,-0.2 3,-0.4 0.811 109.3 58.2 -83.3 -33.9 -21.9 32.6 -37.3 49 104 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.896 108.6 47.2 -62.2 -39.7 -19.2 34.5 -35.5 50 105 A A H < S+ 0 0 3 -4,-1.5 5,-0.3 1,-0.2 -1,-0.2 0.630 107.1 55.8 -78.4 -16.2 -21.8 36.3 -33.4 51 106 A G H 4 S+ 0 0 0 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.826 115.5 36.3 -84.4 -31.6 -23.7 33.1 -32.6 52 107 A R H < S+ 0 0 11 -4,-1.6 -2,-0.2 191,-0.1 -3,-0.1 0.850 127.4 29.0 -86.7 -39.9 -20.7 31.4 -31.1 53 108 A W S < S- 0 0 2 -4,-2.0 2,-1.0 -5,-0.3 293,-0.0 -0.735 90.6-100.9-117.3 166.3 -19.1 34.4 -29.5 54 109 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.775 41.8-171.5 -92.1 101.4 -20.6 37.7 -28.1 55 110 A V + 0 0 17 -2,-1.0 -50,-0.1 -5,-0.3 3,-0.1 -0.829 22.2 153.0 -98.9 127.4 -20.0 40.3 -30.8 56 111 A K + 0 0 61 -52,-1.6 25,-1.9 -2,-0.5 2,-0.4 0.743 64.2 26.4-114.6 -51.9 -20.7 44.0 -29.9 57 112 A T E -ad 5 81A 15 -53,-2.6 -51,-1.9 23,-0.3 -1,-0.3 -0.952 60.9-157.4-124.5 141.6 -18.5 46.2 -32.2 58 113 A I E -ad 6 82A 2 23,-2.4 25,-0.8 -2,-0.4 2,-0.3 -0.868 3.5-163.4-114.2 146.6 -17.0 45.6 -35.6 59 114 A H E -a 7 0A 45 -53,-2.2 -51,-0.7 -2,-0.3 23,-0.1 -0.725 18.7-173.5-132.0 82.5 -13.9 47.4 -37.0 60 115 A T E -a 8 0A 28 -2,-0.3 -51,-0.1 -53,-0.2 23,-0.1 -0.207 32.9-124.3 -72.5 163.2 -13.8 46.8 -40.8 61 116 A D - 0 0 75 -53,-0.7 -1,-0.1 2,-0.1 6,-0.1 -0.206 50.3-110.1-102.6 40.7 -11.0 47.8 -43.1 62 117 A N + 0 0 107 1,-0.1 2,-0.4 4,-0.1 -53,-0.1 0.733 64.8 150.1 33.9 50.2 -13.4 49.8 -45.3 63 118 A G >> - 0 0 23 1,-0.1 3,-1.3 5,-0.0 4,-1.3 -0.890 64.3-107.1-106.4 137.6 -13.4 47.6 -48.4 64 119 A S H 3> S+ 0 0 107 -2,-0.4 4,-0.9 1,-0.3 3,-0.3 0.747 116.9 67.6 -26.6 -41.2 -16.5 47.4 -50.6 65 120 A N H >4 S+ 0 0 3 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.925 108.4 29.4 -49.0 -62.7 -16.9 44.0 -49.1 66 121 A F H <4 S+ 0 0 5 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.507 116.8 62.0 -81.3 -5.8 -17.7 44.9 -45.4 67 122 A T H 3< S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.509 79.8 120.0 -96.1 -7.4 -19.2 48.2 -46.5 68 123 A G S+ 0 0 74 2,-0.2 4,-1.2 1,-0.1 3,-0.2 0.840 109.2 51.6 -97.3 -44.8 -25.7 47.0 -47.7 70 125 A T H 4 S+ 0 0 90 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.240 108.3 61.1 -77.3 15.8 -26.8 43.4 -47.1 71 126 A V H >> S+ 0 0 5 2,-0.1 4,-1.2 3,-0.1 3,-0.7 0.759 106.8 37.7-104.3 -48.2 -23.8 43.3 -44.7 72 127 A R H 3X S+ 0 0 174 -4,-0.6 4,-1.1 1,-0.2 -2,-0.2 0.599 107.2 70.5 -79.2 -13.2 -24.9 46.1 -42.3 73 128 A A H 3< S+ 0 0 69 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.687 101.0 45.7 -75.4 -19.6 -28.4 44.6 -42.8 74 129 A A H X> S+ 0 0 29 -3,-0.7 4,-1.4 2,-0.2 3,-1.1 0.872 101.8 62.2 -88.7 -45.6 -27.2 41.6 -40.8 75 130 A C H 3<>S+ 0 0 6 -4,-1.2 5,-1.6 1,-0.3 4,-0.4 0.853 101.6 54.2 -49.1 -40.5 -25.5 43.5 -37.9 76 131 A D T 3<5S+ 0 0 143 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.848 100.0 60.3 -65.0 -33.7 -28.8 45.1 -37.0 77 132 A W T <45S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.892 121.1 26.2 -59.6 -37.6 -30.3 41.6 -36.7 78 133 A A T <5S- 0 0 33 -4,-1.4 -2,-0.1 -3,-0.3 -3,-0.1 0.808 111.3 -96.2 -87.7 -99.2 -27.7 40.9 -34.1 79 134 A G T 5 + 0 0 54 -4,-0.4 2,-0.3 -24,-0.1 -3,-0.2 0.128 62.2 148.6 176.1 41.4 -26.4 43.9 -32.2 80 135 A I < - 0 0 23 -5,-1.6 -23,-0.3 -6,-0.1 2,-0.2 -0.645 26.3-160.2 -92.4 146.9 -23.2 45.0 -33.8 81 136 A K E -d 57 0A 130 -25,-1.9 -23,-2.4 -2,-0.3 2,-0.3 -0.689 6.0-149.5-114.9 170.9 -22.0 48.6 -33.9 82 137 A Q E -d 58 0A 68 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.1 -0.995 9.4-163.4-144.6 147.9 -19.4 50.1 -36.3 83 138 A E - 0 0 116 -25,-0.8 -23,-0.2 -2,-0.3 -26,-0.0 -0.833 29.5 -73.9-131.9 169.8 -16.9 53.0 -36.0 84 139 A D - 0 0 163 -2,-0.3 -1,-0.2 1,-0.1 2,-0.0 0.058 49.3-110.6 -54.3 164.5 -14.7 55.3 -38.0 85 140 A G 0 0 46 -24,-0.0 -1,-0.1 -23,-0.0 -24,-0.1 -0.013 360.0 360.0 -86.9-166.2 -11.4 54.3 -39.7 86 141 A I 0 0 185 4,-0.0 -2,-0.0 5,-0.0 -25,-0.0 0.998 360.0 360.0 -62.9 360.0 -7.8 55.0 -39.1 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 88 145 A P 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.8 0.5 52.3 -36.2 89 146 A Q + 0 0 173 3,-0.0 0, 0.0 2,-0.0 0, 0.0 0.628 360.0 24.4-116.7 -32.3 -0.6 50.8 -32.9 90 147 A S S S+ 0 0 72 2,-0.1 4,-0.4 3,-0.1 3,-0.3 0.652 113.0 71.6-104.6 -27.6 -4.1 49.6 -33.8 91 148 A Q S >> S+ 0 0 95 1,-0.2 3,-1.8 2,-0.2 4,-0.9 0.979 101.5 38.1 -51.0 -78.7 -3.4 49.2 -37.5 92 149 A G H 3> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.565 90.5 94.1 -54.2 -11.6 -1.1 46.1 -37.5 93 150 A V H 34 S+ 0 0 46 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.815 106.2 19.5 -52.5 -29.6 -3.2 44.6 -34.7 94 151 A V H <> S+ 0 0 4 -3,-1.8 4,-1.0 -4,-0.4 -1,-0.2 0.663 129.8 47.5-111.4 -28.1 -5.1 42.8 -37.5 95 152 A E H X S+ 0 0 89 -4,-0.9 4,-1.8 2,-0.3 5,-0.3 0.857 104.7 58.0 -82.6 -38.8 -2.6 43.0 -40.4 96 153 A S H < S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.409 110.3 51.8 -69.6 7.1 0.3 41.9 -38.3 97 154 A M H > S+ 0 0 24 -3,-0.2 4,-3.1 3,-0.1 5,-0.3 0.698 98.0 60.6-108.5 -39.8 -2.1 39.0 -38.0 98 155 A N H X S+ 0 0 13 -4,-1.0 4,-1.6 1,-0.3 -2,-0.2 0.902 113.5 37.5 -57.1 -43.5 -2.8 38.5 -41.7 99 156 A K H X S+ 0 0 101 -4,-1.8 4,-3.0 2,-0.2 -1,-0.3 0.682 113.7 58.0 -81.7 -18.5 0.9 37.7 -42.3 100 157 A E H > S+ 0 0 61 -5,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.857 109.6 44.2 -75.0 -37.1 1.0 35.9 -39.0 101 158 A L H X S+ 0 0 2 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.863 116.1 48.5 -72.3 -37.8 -1.8 33.7 -40.3 102 159 A K H X S+ 0 0 70 -4,-1.6 4,-2.4 -5,-0.3 5,-0.2 0.964 104.5 56.1 -67.4 -53.2 0.0 33.4 -43.6 103 160 A K H < S+ 0 0 141 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.820 115.4 42.1 -48.3 -32.3 3.4 32.6 -42.1 104 161 A I H >X S+ 0 0 14 -4,-0.9 3,-2.1 2,-0.2 4,-0.7 0.918 107.6 57.1 -81.8 -47.6 1.6 29.7 -40.4 105 162 A I H >X S+ 0 0 2 -4,-2.7 3,-0.8 1,-0.3 4,-0.5 0.842 103.5 57.6 -51.9 -36.6 -0.5 28.5 -43.4 106 163 A G H 3< S+ 0 0 49 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.636 101.1 54.6 -71.6 -15.5 2.7 28.1 -45.3 107 164 A Q H <4 S+ 0 0 129 -3,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.566 116.9 35.5 -94.0 -10.1 4.2 25.6 -42.8 108 165 A V H XX S+ 0 0 7 -3,-0.8 4,-1.3 -4,-0.7 3,-1.0 0.288 91.0 95.4-121.4 4.7 1.2 23.3 -43.0 109 166 A R G >< S+ 0 0 67 -4,-0.5 3,-0.6 1,-0.3 -2,-0.1 0.928 83.1 51.4 -62.3 -48.9 0.4 23.8 -46.7 110 167 A D G 34 S+ 0 0 161 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.492 112.6 51.0 -67.9 -2.4 2.3 20.7 -47.8 111 168 A Q G <4 S+ 0 0 125 -3,-1.0 2,-0.3 7,-0.0 -1,-0.2 0.671 98.2 73.5-106.0 -26.8 0.3 18.8 -45.1 112 169 A A << - 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