==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA INTEGRATION 13-SEP-96 2ITG . COMPND 2 MOLECULE: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR G.BUJACZ,J.ALEXANDRATOS,A.WLODAWER,Q.ZHOU-LIU,C.CLEMENT-MELL . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0.6 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 . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 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 . 2 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 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 51 A H 0 0 161 0, 0.0 2,-0.3 0, 0.0 148,-0.0 0.000 360.0 360.0 360.0 -48.2 8.9 10.3 -11.3 2 52 A G + 0 0 32 0, 0.0 2,-1.8 0, 0.0 154,-0.1 -0.806 360.0 47.0 151.7-101.2 10.8 8.0 -8.9 3 53 A Q S S- 0 0 207 -2,-0.3 150,-0.0 1,-0.1 0, 0.0 -0.583 96.1-153.2 -79.0 82.5 14.2 6.5 -9.8 4 54 A V - 0 0 39 -2,-1.8 27,-0.1 2,-0.1 26,-0.1 0.094 24.0 -84.1 -66.1 166.8 15.4 9.9 -11.0 5 55 A D S S- 0 0 93 25,-0.5 2,-0.2 24,-0.1 25,-0.1 0.750 100.6 -27.0 -32.8 -54.1 17.8 11.5 -13.4 6 56 A C S S- 0 0 52 4,-0.1 -2,-0.1 1,-0.0 4,-0.0 -0.675 97.9 -30.7-148.0-157.7 20.8 11.3 -11.1 7 57 A S > - 0 0 40 -2,-0.2 3,-1.1 1,-0.1 23,-0.4 -0.523 51.0-123.2 -77.2 138.5 21.7 11.2 -7.4 8 58 A P T 3 S+ 0 0 15 0, 0.0 146,-0.2 0, 0.0 -1,-0.1 0.643 106.2 47.5 -45.3 -34.1 19.5 12.9 -4.8 9 59 A G T 3 S+ 0 0 0 150,-0.2 53,-2.6 51,-0.1 2,-0.5 -0.297 85.6 120.9-110.8 49.9 22.3 15.2 -3.3 10 60 A I E < +a 62 0A 16 -3,-1.1 20,-0.6 51,-0.2 19,-0.4 -0.939 30.6 168.5-120.6 122.8 23.8 16.5 -6.5 11 61 A W E -a 63 0A 2 51,-1.6 53,-2.1 -2,-0.5 2,-0.5 -0.818 26.0-144.8-125.2 166.9 24.1 20.1 -7.6 12 62 A Q E -aB 64 27A 40 15,-1.7 15,-0.9 -2,-0.3 2,-0.6 -0.968 19.7-160.4-125.7 114.1 25.8 22.1 -10.3 13 63 A L E + B 0 26A 2 51,-3.1 53,-0.3 -2,-0.5 2,-0.3 -0.866 16.0 168.4-110.8 123.3 27.0 25.5 -9.2 14 64 A D E - B 0 25A 15 11,-1.8 11,-1.0 -2,-0.6 51,-0.1 -0.734 29.2-142.4-139.2 101.1 27.8 28.2 -11.8 15 65 A C E - B 0 24A 24 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.150 33.9-172.9 -52.1 135.6 28.4 31.9 -11.4 16 66 A T - 0 0 13 7,-3.1 2,-0.3 2,-0.1 -1,-0.1 -0.702 12.3-125.7-125.2-177.4 26.8 33.7 -14.4 17 67 A H + 0 0 109 5,-0.3 2,-0.2 -2,-0.2 5,-0.2 -0.989 31.5 142.4-144.9 149.4 26.6 37.2 -15.8 18 68 A L B > S+E 21 0B 49 3,-1.1 3,-1.7 -2,-0.3 -2,-0.1 -0.796 73.2 3.0 179.6 130.5 24.2 39.8 -16.9 19 69 A E T 3 S- 0 0 86 1,-0.3 2,-2.3 -2,-0.2 103,-0.1 0.955 124.7 -62.7 46.1 65.0 24.0 43.6 -16.7 20 70 A G T 3 S+ 0 0 83 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.241 119.4 104.3 47.2 -13.2 27.5 43.7 -15.2 21 71 A K B < S-E 18 0B 92 -2,-2.3 -3,-1.1 -3,-1.7 2,-0.8 -0.828 73.2-125.4-103.9 133.1 26.2 41.8 -12.2 22 72 A V E - C 0 39A 7 17,-0.8 17,-1.1 -2,-0.4 -5,-0.3 -0.631 19.8-156.5 -77.6 102.9 26.9 38.1 -11.6 23 73 A I E - C 0 38A 2 -2,-0.8 -7,-3.1 15,-0.2 2,-0.4 -0.366 12.7-142.3 -74.4 160.2 23.8 36.0 -11.2 24 74 A L E -BC 15 37A 0 13,-1.5 13,-1.5 -9,-0.2 2,-0.7 -0.908 11.3-159.9-137.2 110.4 24.5 32.7 -9.3 25 75 A V E -BC 14 36A 2 -11,-1.0 -11,-1.8 -2,-0.4 2,-0.5 -0.724 10.1-175.2 -98.4 114.4 22.8 29.5 -10.3 26 76 A A E -BC 13 35A 2 9,-4.7 9,-2.6 -2,-0.7 2,-0.4 -0.915 18.9-167.3 -97.3 131.4 22.5 26.6 -8.0 27 77 A V E -BC 12 34A 13 -15,-0.9 2,-2.0 -2,-0.5 -15,-1.7 -0.991 26.0-139.4-132.8 134.1 20.9 23.7 -9.9 28 78 A H >> - 0 0 0 5,-2.7 4,-2.4 -2,-0.4 3,-1.7 -0.516 21.5-160.3 -83.4 73.8 19.4 20.4 -8.6 29 79 A V T 34 S+ 0 0 33 -2,-2.0 -1,-0.2 -19,-0.4 3,-0.2 0.739 85.9 44.5 -21.0 -55.4 20.8 18.2 -11.4 30 80 A A T 34 S+ 0 0 10 -20,-0.6 -25,-0.5 -23,-0.4 -1,-0.3 0.854 129.4 23.1 -70.8 -34.4 18.3 15.4 -10.8 31 81 A S T <4 S- 0 0 3 -3,-1.7 119,-0.4 2,-0.2 118,-0.3 0.283 91.1-130.6-112.2 0.3 15.2 17.6 -10.4 32 82 A G < + 0 0 3 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.552 58.4 143.9 61.5 1.1 16.1 20.8 -12.3 33 83 A Y - 0 0 33 -5,-0.5 -5,-2.7 113,-0.4 2,-0.3 -0.643 33.4-168.3 -69.0 131.4 14.9 22.8 -9.2 34 84 A I E -C 27 0A 0 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.900 21.4-158.5-124.8 160.5 17.4 25.7 -9.1 35 85 A E E -C 26 0A 33 -9,-2.6 -9,-4.7 -2,-0.3 2,-0.3 -0.936 14.7-172.7-128.8 148.2 18.3 28.4 -6.6 36 86 A A E -C 25 0A 9 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.926 11.3-174.3-151.4 124.2 20.0 31.7 -7.6 37 87 A E E -C 24 0A 82 -13,-1.5 -13,-1.5 -2,-0.3 2,-0.8 -0.786 26.2-129.8-109.5 155.4 21.6 34.6 -5.8 38 88 A V E -C 23 0A 23 -2,-0.3 -15,-0.2 -15,-0.2 85,-0.1 -0.806 27.6-173.5-108.3 90.2 22.9 37.8 -7.4 39 89 A I E -C 22 0A 4 -17,-1.1 -17,-0.8 -2,-0.8 3,-0.1 -0.616 23.5-149.7 -82.5 135.0 26.4 38.4 -6.1 40 90 A P S S+ 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.488 87.3 49.6 -75.5 -5.9 28.0 41.6 -7.2 41 91 A A S S- 0 0 36 -19,-0.2 2,-1.9 2,-0.1 5,-0.2 -0.936 70.5-145.4-148.8 128.1 31.2 39.7 -6.8 42 92 A E + 0 0 87 -2,-0.4 2,-0.3 -3,-0.1 3,-0.1 -0.525 50.9 142.5 -84.6 71.0 32.5 36.3 -8.0 43 93 A T > - 0 0 55 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.896 63.6-125.4-119.8 147.8 34.6 35.5 -4.9 44 94 A G H > S+ 0 0 15 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 114.5 65.2 -54.1 -33.4 35.2 32.2 -3.2 45 95 A Q H >> S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.964 107.9 37.2 -50.1 -67.5 34.0 34.2 -0.2 46 96 A E H 3> S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.798 109.9 59.5 -52.3 -49.3 30.6 34.5 -1.8 47 97 A T H 3X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.883 107.5 50.5 -50.2 -42.8 30.4 31.0 -3.4 48 98 A A H - 0 0 70 1,-0.1 3,-0.7 -3,-0.1 -1,-0.3 -0.933 64.6-172.4-129.7 105.8 34.8 26.2 -14.1 68 118 A G G > S+ 0 0 38 -2,-0.4 3,-2.2 1,-0.2 4,-0.2 0.811 74.1 82.5 -69.0 -35.0 36.8 24.6 -11.2 69 119 A S G > S+ 0 0 76 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.875 87.2 67.4 -37.3 -36.5 39.0 27.6 -10.3 70 120 A N G X S+ 0 0 22 -3,-0.7 3,-0.7 1,-0.3 -1,-0.3 0.900 96.3 47.7 -52.1 -47.5 35.8 28.3 -8.5 71 121 A F G < S+ 0 0 12 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.139 90.3 88.4 -86.4 26.0 36.1 25.5 -6.0 72 122 A T G < + 0 0 87 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.2 0.280 59.5 103.2-111.3 18.8 39.8 26.2 -5.2 73 123 A S <> - 0 0 29 -3,-0.7 4,-7.6 1,-0.1 5,-0.2 -0.763 66.7-137.8-101.4 143.3 39.5 28.7 -2.3 74 124 A T H >>S+ 0 0 99 -2,-0.4 4,-7.4 2,-0.3 5,-0.5 0.963 109.9 57.2 -55.3 -51.6 40.1 27.9 1.4 75 125 A T H 45S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.857 119.9 32.4 -42.7 -46.0 37.1 30.0 2.2 76 126 A V H >>5S+ 0 0 1 2,-0.2 4,-2.2 3,-0.1 3,-0.9 0.926 119.2 50.5 -81.3 -50.7 35.3 27.6 -0.1 77 127 A K H 3X5S+ 0 0 118 -4,-7.6 4,-1.1 1,-0.3 -3,-0.2 0.948 111.4 51.8 -53.3 -45.9 37.4 24.5 0.6 78 128 A A H 3X5S+ 0 0 49 -4,-7.4 4,-3.0 -5,-0.2 -1,-0.3 0.806 110.5 50.7 -58.4 -28.6 36.7 25.3 4.2 79 129 A A H <>S+ 0 0 18 -4,-2.2 5,-2.5 1,-0.2 4,-1.0 0.773 118.7 55.5 -59.5 -17.1 32.3 22.2 1.5 81 131 A W H ><5S+ 0 0 190 -4,-1.1 3,-1.2 -5,-0.5 -2,-0.2 0.991 99.7 45.7 -78.0 -71.0 34.2 21.1 4.6 82 132 A W H 3<5S+ 0 0 184 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.576 125.1 42.5 -55.6 1.7 32.5 22.3 7.7 83 133 A A H 3<5S- 0 0 39 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.571 109.0-113.4-128.4 -7.2 29.4 21.0 5.9 84 134 A G T <<5 + 0 0 50 -3,-1.2 2,-0.2 -4,-1.0 -3,-0.2 0.693 58.4 152.3 85.9 18.9 30.3 17.6 4.2 85 135 A I < - 0 0 9 -5,-2.5 2,-0.3 -6,-0.3 -1,-0.3 -0.551 20.2-174.1 -83.8 151.6 30.1 18.6 0.6 86 136 A K E -d 62 0A 139 -25,-0.8 -23,-2.4 -2,-0.2 2,-0.2 -0.950 28.0-110.5-136.7 152.3 32.2 16.8 -2.0 87 137 A Q E -d 63 0A 106 -2,-0.3 2,-0.3 -25,-0.3 -23,-0.2 -0.642 41.2-151.3 -84.7 150.6 32.7 17.5 -5.7 88 138 A E + 0 0 74 -25,-0.7 2,-0.2 -2,-0.2 -26,-0.0 -0.922 31.1 122.2-132.8 158.6 31.2 14.9 -8.1 89 139 A F - 0 0 150 -2,-0.3 2,-0.4 -25,-0.1 -2,-0.0 -0.782 30.1-141.5 168.0 150.8 31.5 13.3 -11.5 90 140 A G + 0 0 62 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.923 45.7 110.8-145.8 125.3 31.9 9.8 -13.2 91 141 A I + 0 0 138 -2,-0.4 3,-0.3 2,-0.0 -1,-0.1 0.411 33.2 144.8-150.5 -19.3 33.8 8.3 -16.1 92 142 A P S S- 0 0 84 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.070 72.8 -70.8 -35.0 146.6 36.6 6.0 -14.9 93 143 A Y S S+ 0 0 233 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.230 85.7 132.1 -45.6 102.2 37.2 3.0 -17.0 94 144 A N - 0 0 126 -3,-0.3 3,-0.2 -2,-0.3 -1,-0.0 -0.997 54.8 -55.1-157.9 163.4 34.1 0.8 -16.4 95 145 A P S S- 0 0 112 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.307 79.9 -60.3 -31.6 160.8 31.2 -1.3 -17.8 96 146 A Q S S+ 0 0 196 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.226 74.9 129.8 -58.8 134.8 28.9 0.2 -20.4 97 147 A S - 0 0 106 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.840 26.1-178.8-166.5 176.5 26.9 3.2 -19.4 98 148 A Q + 0 0 185 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.938 6.3 150.0-170.6-173.6 26.3 6.6 -21.1 99 149 A G - 0 0 63 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.945 25.5-136.1 160.2-179.2 24.7 10.1 -21.0 100 150 A V - 0 0 131 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.891 21.8-163.7-169.1 142.5 24.3 13.8 -21.7 101 151 A I - 0 0 113 -2,-0.2 2,-0.2 2,-0.0 -2,-0.0 -0.761 5.9-129.1-134.2 178.8 23.3 16.8 -19.5 102 152 A E - 0 0 154 -2,-0.2 2,-0.5 -73,-0.1 3,-0.1 -0.725 11.7-125.4-133.7 177.0 22.2 20.4 -19.5 103 153 A S > + 0 0 79 -2,-0.2 3,-1.1 1,-0.1 4,-0.5 -0.919 10.6 179.2-123.8 105.8 22.2 24.1 -18.6 104 154 A M T 3> S+ 0 0 56 -2,-0.5 4,-2.4 1,-0.3 5,-0.4 0.562 70.0 98.7 -80.0 -7.2 19.1 25.8 -17.2 105 155 A N H 3> S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.808 86.5 47.2 -50.9 -24.5 21.4 28.8 -17.1 106 156 A K H <> S+ 0 0 158 -3,-1.1 4,-2.9 2,-0.2 3,-0.2 0.973 106.9 48.3 -82.8 -68.4 19.5 29.5 -20.3 107 157 A E H >> S+ 0 0 96 -4,-0.5 4,-2.6 1,-0.3 3,-0.8 0.884 118.2 45.9 -35.4 -56.4 15.8 29.0 -19.5 108 158 A L H 3X S+ 0 0 5 -4,-2.4 4,-0.6 1,-0.3 -1,-0.3 0.898 112.3 48.8 -52.3 -51.1 16.5 31.2 -16.4 109 159 A K H 3X S+ 0 0 82 -4,-1.2 4,-1.2 -5,-0.4 -1,-0.3 0.762 113.1 51.8 -63.6 -21.9 18.4 33.7 -18.5 110 160 A K H X S+ 0 0 18 -4,-1.5 4,-2.2 1,-0.2 3,-1.2 0.697 88.7 94.5 -68.4 -27.8 10.2 39.9 -16.8 116 166 A R H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.881 80.3 58.6 -35.8 -63.9 12.8 42.6 -16.2 117 167 A D T 3< S+ 0 0 163 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.890 112.4 42.6 -30.1 -54.5 10.4 45.3 -17.3 118 168 A Q T <4 S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.3 0.932 108.4 77.9 -60.1 -43.8 8.2 44.0 -14.5 119 169 A A S < S- 0 0 6 -4,-2.2 3,-0.1 -7,-0.2 6,-0.1 -0.310 70.2-149.5 -72.6 147.6 11.3 43.6 -12.3 120 170 A E S S- 0 0 121 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.638 80.2 -3.7 -87.0 -22.5 12.9 46.6 -10.5 121 171 A H S > S- 0 0 92 1,-0.2 4,-2.1 -5,-0.1 -1,-0.2 -0.964 81.1 -91.6-160.3 173.5 16.3 45.2 -10.6 122 172 A L H >> S+ 0 0 1 -2,-0.3 4,-2.9 2,-0.2 3,-0.9 0.998 125.5 53.9 -56.4 -57.5 18.2 42.1 -11.7 123 173 A K H 3> S+ 0 0 128 1,-0.3 4,-1.9 2,-0.3 5,-0.4 0.856 110.6 41.1 -33.6 -84.9 17.7 40.9 -8.2 124 174 A T H 3> S+ 0 0 43 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.759 120.7 51.4 -39.7 -33.6 14.0 41.3 -8.1 125 175 A A H XX S+ 0 0 0 -4,-2.1 4,-3.4 -3,-0.9 3,-0.7 0.959 104.9 47.6 -76.0 -52.2 14.2 39.9 -11.6 126 176 A V H 3X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.3 5,-0.2 0.840 113.9 52.7 -54.6 -34.8 16.3 36.7 -11.2 127 177 A Q H 3X S+ 0 0 76 -4,-1.9 4,-1.8 -5,-0.4 -1,-0.3 0.801 112.1 41.8 -70.2 -36.1 14.1 35.8 -8.3 128 178 A M H S+ 0 0 10 -4,-3.1 4,-2.0 2,-0.2 5,-0.7 0.957 111.0 62.4 -54.0 -55.3 13.4 31.4 -11.0 131 181 A F H X5S+ 0 0 112 -4,-1.8 4,-1.6 1,-0.3 -2,-0.2 0.928 109.4 42.9 -34.8 -63.6 10.1 31.6 -9.1 132 182 A I H X5S+ 0 0 49 -4,-2.9 4,-1.9 2,-0.2 -1,-0.3 0.907 115.3 49.9 -51.8 -46.9 8.4 31.1 -12.5 133 183 A H H ><5S+ 0 0 15 -4,-2.2 3,-1.4 -5,-0.3 13,-0.5 0.994 109.6 45.9 -58.5 -69.0 10.8 28.3 -13.6 134 184 A N H 3<5S+ 0 0 16 -4,-2.0 13,-2.2 1,-0.3 14,-0.5 0.835 117.7 50.2 -42.9 -29.7 10.7 26.1 -10.5 135 185 A H H 3< -F 137 0C 8 -2,-0.2 4,-2.2 -8,-0.2 3,-0.3 -0.623 29.3-106.4-104.3 162.3 7.4 21.4 -11.8 146 196 A A H >> S+ 0 0 4 -10,-0.7 4,-2.2 -13,-0.5 3,-0.8 0.974 129.1 50.9 -45.2 -49.3 11.1 21.4 -11.1 147 197 A G H 3> S+ 0 0 19 -13,-2.2 4,-1.0 1,-0.3 -1,-0.3 0.858 108.3 52.1 -53.6 -41.0 9.9 22.7 -7.7 148 198 A E H 3> S+ 0 0 65 -14,-0.5 4,-0.9 -3,-0.3 -1,-0.3 0.753 112.4 42.7 -69.8 -31.4 7.5 19.8 -7.4 149 199 A R H S+ 0 0 4 -4,-1.9 5,-1.0 2,-0.2 3,-0.4 0.912 122.3 32.0 -38.2 -81.1 13.1 12.8 -4.5 154 204 A I H >X5S+ 0 0 30 -4,-1.3 3,-4.0 1,-0.2 4,-1.1 0.926 118.0 60.7 -37.5 -62.3 14.5 14.1 -1.3 155 205 A A H 3<5S+ 0 0 50 -4,-5.1 -1,-0.2 -5,-0.4 -2,-0.2 0.802 94.9 57.8 -31.3 -62.6 11.1 13.6 0.2 156 206 A T T 3<5S- 0 0 85 -4,-4.5 -1,-0.3 -3,-0.4 -2,-0.2 0.449 124.9-106.3 -55.8 6.4 11.1 9.8 -0.5 157 207 A D T <45 - 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