==== 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 10-JUN-98 1BHL . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,Q.ZHOU-LIU,C.CLEMENT-MELLA,V.MIKOL . 135 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 14.1 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 37.8 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 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 57 A S > 0 0 99 0, 0.0 3,-1.1 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 127.8 -14.9 51.9 18.3 2 58 A P T 3 + 0 0 30 0, 0.0 23,-0.1 0, 0.0 131,-0.1 0.590 360.0 59.7 -68.9 -13.7 -16.8 49.6 15.9 3 59 A G T 3 S+ 0 0 3 51,-0.1 53,-1.9 49,-0.0 52,-1.8 0.414 80.9 105.2 -97.1 0.4 -13.7 48.1 14.4 4 60 A I E < +a 56 0A 55 -3,-1.1 19,-1.1 51,-0.2 20,-0.4 -0.717 41.5 173.5 -91.0 129.1 -12.2 46.6 17.6 5 61 A W E -aB 57 22A 1 51,-1.6 53,-2.7 -2,-0.4 2,-0.4 -0.914 20.9-146.0-128.3 154.8 -12.2 42.9 18.4 6 62 A Q E -aB 58 21A 37 15,-2.3 15,-2.6 -2,-0.3 2,-0.4 -0.963 17.8-170.4-120.8 137.2 -10.6 40.8 21.1 7 63 A L E + B 0 20A 1 51,-2.8 2,-0.3 -2,-0.4 53,-0.3 -0.985 15.5 147.2-138.8 127.3 -9.5 37.3 20.3 8 64 A D E - B 0 19A 19 11,-2.1 11,-2.9 -2,-0.4 2,-0.4 -0.954 36.4-122.0-148.8 166.0 -8.3 34.6 22.7 9 65 A X E - B 0 18A 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.862 23.7-176.0-113.9 148.3 -8.2 30.8 23.2 10 66 A T E - B 0 17A 17 7,-2.0 7,-3.2 -2,-0.4 2,-0.4 -0.911 19.4-124.9-135.8 161.0 -9.6 29.0 26.2 11 67 A H E + B 0 16A 97 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.911 28.7 162.3-120.4 144.5 -9.5 25.3 27.0 12 68 A L E > S- B 0 15A 43 3,-1.9 3,-2.7 -2,-0.4 -2,-0.0 -0.959 70.5 -7.0-157.0 133.3 -12.2 22.7 27.8 13 69 A E T 3 S- 0 0 96 -2,-0.3 3,-0.1 1,-0.3 88,-0.1 0.862 126.2 -57.9 46.4 44.9 -12.2 18.9 27.8 14 70 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.604 117.9 111.3 64.8 11.6 -8.7 18.9 26.3 15 71 A K E < -B 12 0A 95 -3,-2.7 -3,-1.9 20,-0.0 2,-0.5 -0.707 65.8-123.0-111.6 164.6 -10.0 20.9 23.3 16 72 A V E -BC 11 33A 8 17,-1.8 17,-2.9 -2,-0.2 2,-0.6 -0.920 16.4-159.4-113.9 133.1 -9.2 24.5 22.3 17 73 A I E -BC 10 32A 1 -7,-3.2 -7,-2.0 -2,-0.5 2,-0.5 -0.950 6.8-151.8-116.6 121.2 -11.9 27.2 21.9 18 74 A L E -BC 9 31A 0 13,-3.3 13,-1.9 -2,-0.6 2,-0.4 -0.775 19.3-169.5 -86.8 125.0 -11.2 30.2 19.8 19 75 A V E -BC 8 30A 4 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.4 -0.981 10.0-171.2-125.1 125.8 -13.3 33.1 21.1 20 76 A A E -BC 7 29A 0 9,-2.8 9,-1.7 -2,-0.4 2,-0.5 -0.951 5.5-167.2-114.7 135.8 -13.7 36.5 19.3 21 77 A V E -BC 6 28A 21 -15,-2.6 -15,-2.3 -2,-0.4 2,-1.0 -0.981 20.5-141.1-126.2 125.1 -15.5 39.4 21.1 22 78 A H E >>> -BC 5 27A 0 5,-2.8 4,-3.2 -2,-0.5 3,-0.8 -0.790 24.6-150.1 -82.6 106.7 -16.7 42.6 19.4 23 79 A V T 345S+ 0 0 83 -19,-1.1 -1,-0.2 -2,-1.0 -18,-0.1 0.873 86.0 51.1 -47.8 -52.9 -15.8 44.9 22.2 24 80 A A T 345S+ 0 0 48 -23,-0.5 -1,-0.2 -20,-0.4 -19,-0.1 0.785 125.4 24.9 -61.2 -28.9 -18.4 47.7 21.7 25 81 A S T <45S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.699 93.0-125.0-111.2 -23.9 -21.3 45.2 21.6 26 82 A G T <5 + 0 0 15 -4,-3.2 99,-0.2 1,-0.3 -3,-0.1 0.480 57.5 150.4 88.2 0.4 -20.3 42.0 23.5 27 83 A Y E < -C 22 0A 28 -5,-0.5 -5,-2.8 98,-0.3 2,-0.3 -0.429 26.9-163.3 -65.1 136.1 -21.2 39.9 20.4 28 84 A I E -C 21 0A 1 -7,-0.2 2,-0.3 81,-0.2 -7,-0.2 -0.913 20.0-168.5-126.4 160.5 -19.0 36.8 20.1 29 85 A E E -C 20 0A 22 -9,-1.7 -9,-2.8 -2,-0.3 2,-0.3 -0.975 19.7-173.0-135.6 140.5 -18.1 34.2 17.5 30 86 A A E -C 19 0A 5 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.963 15.1-171.8-141.4 159.5 -16.4 30.9 18.5 31 87 A E E -C 18 0A 70 -13,-1.9 -13,-3.3 -2,-0.3 2,-0.6 -0.994 21.7-134.5-147.5 141.4 -14.8 27.9 17.0 32 88 A V E -C 17 0A 23 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.893 32.1-176.0 -99.1 121.3 -13.5 24.7 18.5 33 89 A I E -C 16 0A 7 -17,-2.9 -17,-1.8 -2,-0.6 3,-0.1 -0.806 33.7-125.0-116.6 160.1 -10.1 23.8 17.1 34 90 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.989 90.0 2.5 -65.0 -56.1 -7.8 20.8 17.7 35 91 A A S S- 0 0 48 -20,-0.1 2,-2.1 -3,-0.1 5,-0.1 -0.935 76.8-101.7-136.5 157.9 -4.8 22.8 18.7 36 92 A E + 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.507 63.3 156.0 -71.5 73.1 -3.7 26.4 19.4 37 93 A T > - 0 0 54 -2,-2.1 4,-1.7 1,-0.1 5,-0.1 -0.727 54.3-127.4-107.5 157.5 -1.9 26.9 16.1 38 94 A G H > S+ 0 0 23 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.831 112.1 57.4 -66.1 -33.3 -1.0 30.1 14.2 39 95 A Q H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 106.4 49.4 -65.7 -37.5 -2.6 28.6 11.1 40 96 A E H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.901 111.8 48.8 -67.3 -39.6 -5.9 28.2 13.0 41 97 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.915 110.5 48.7 -65.9 -46.4 -5.7 31.8 14.2 42 98 A A H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 112.7 49.7 -59.1 -44.6 -5.0 33.3 10.7 43 99 A Y H X S+ 0 0 135 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.927 110.4 49.0 -61.5 -48.1 -7.8 31.3 9.2 44 100 A F H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.900 111.6 49.6 -59.4 -43.3 -10.3 32.4 11.9 45 101 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.873 106.9 54.9 -65.1 -39.5 -9.3 36.0 11.4 46 102 A L H X S+ 0 0 74 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.928 110.9 46.0 -59.2 -45.1 -9.7 35.8 7.6 47 103 A K H < S+ 0 0 67 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.916 113.2 48.8 -62.1 -47.6 -13.3 34.5 8.2 48 104 A L H >X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 3,-1.1 0.901 110.6 51.8 -58.2 -46.6 -14.1 37.2 10.7 49 105 A A H 3< S+ 0 0 27 -4,-2.8 5,-0.2 1,-0.2 -1,-0.2 0.805 103.8 55.3 -66.1 -30.7 -12.7 39.9 8.4 50 106 A G T 3< S+ 0 0 76 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.592 116.9 38.9 -80.2 -2.8 -14.8 38.9 5.4 51 107 A R T <4 S+ 0 0 132 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.748 121.7 27.5-113.6 -36.6 -17.9 39.2 7.5 52 108 A W S < S- 0 0 42 -4,-2.4 2,-1.8 -5,-0.1 -1,-0.3 -0.874 88.6-101.4-125.4 158.0 -17.4 42.3 9.8 53 109 A P - 0 0 66 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.577 47.7-171.4 -83.7 84.9 -15.3 45.4 9.2 54 110 A V + 0 0 11 -2,-1.8 -50,-0.1 -5,-0.2 -51,-0.1 -0.637 19.2 161.6 -80.4 108.8 -12.3 44.3 11.4 55 111 A K + 0 0 139 -52,-1.8 25,-2.7 -2,-0.7 2,-0.3 0.877 64.3 6.4 -96.8 -43.0 -9.8 47.1 11.9 56 112 A T E -ad 4 80A 47 -53,-1.9 -51,-1.6 23,-0.2 2,-0.4 -0.957 60.4-155.6-140.1 157.8 -7.8 46.1 14.9 57 113 A V E -a 5 0A 3 23,-1.5 2,-0.3 -2,-0.3 -51,-0.2 -1.000 5.7-165.7-139.4 138.2 -7.6 43.1 17.2 58 114 A H E -a 6 0A 103 -53,-2.7 -51,-2.8 -2,-0.4 2,-0.3 -0.789 6.3-176.6-117.6 162.0 -6.5 42.7 20.8 59 115 A T - 0 0 10 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.962 33.8-131.3-153.0 159.7 -5.6 39.6 22.7 60 116 A D S S+ 0 0 135 -2,-0.3 2,-0.4 -53,-0.3 -52,-0.1 0.436 104.3 52.9 -91.2 -7.7 -4.6 38.8 26.3 61 117 A N > - 0 0 72 1,-0.1 3,-2.1 2,-0.0 -1,-0.2 -0.806 67.7-172.9-132.4 91.8 -1.7 36.7 25.0 62 118 A G G > S+ 0 0 42 -2,-0.4 3,-1.7 1,-0.3 4,-0.1 0.759 80.9 68.4 -55.4 -30.8 0.4 38.7 22.6 63 119 A S G > S+ 0 0 76 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.702 82.9 79.6 -65.2 -15.9 2.6 35.8 21.6 64 120 A N G < S+ 0 0 19 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.755 96.2 43.7 -54.9 -32.1 -0.7 34.5 19.9 65 121 A F G < S+ 0 0 3 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.252 84.0 94.5-103.1 8.5 -0.0 36.8 17.0 66 122 A T < + 0 0 89 -3,-1.2 -1,-0.1 -4,-0.1 -2,-0.1 0.677 55.8 106.0 -80.0 -15.3 3.7 36.5 16.3 67 123 A S S > S- 0 0 36 -4,-0.3 4,-2.2 -3,-0.2 5,-0.1 -0.189 73.2-129.8 -64.6 154.9 3.6 33.9 13.5 68 124 A T H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.879 110.2 59.6 -71.2 -31.7 4.2 34.9 9.9 69 125 A T H > S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 109.2 41.4 -59.6 -46.7 1.0 33.0 9.0 70 126 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 114.5 51.5 -68.2 -43.7 -1.1 35.2 11.3 71 127 A K H X S+ 0 0 123 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.832 108.0 53.8 -61.3 -32.5 0.8 38.3 10.3 72 128 A A H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 108.7 47.9 -69.2 -40.0 0.1 37.4 6.6 73 129 A A H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.908 113.3 47.8 -67.5 -42.8 -3.7 37.1 7.3 74 130 A X H X>S+ 0 0 14 -4,-2.3 5,-3.6 2,-0.2 4,-0.8 0.896 111.9 50.1 -63.8 -43.2 -3.7 40.5 9.1 75 131 A W H <5S+ 0 0 200 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.943 113.8 45.2 -58.6 -48.8 -1.7 42.1 6.3 76 132 A W H <5S+ 0 0 188 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.924 117.9 41.5 -64.5 -45.2 -4.1 40.7 3.6 77 133 A A H <5S- 0 0 31 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.561 114.2-117.6 -78.4 -8.4 -7.3 41.6 5.4 78 134 A G T <5 + 0 0 51 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.903 58.2 157.4 74.7 39.7 -5.9 44.9 6.4 79 135 A I < - 0 0 4 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.797 25.1-160.2-102.3 139.3 -6.0 44.3 10.2 80 136 A K B d 56 0A 131 -25,-2.7 -23,-1.5 -2,-0.4 -5,-0.0 -0.794 360.0 360.0-112.3 158.5 -3.8 46.1 12.7 81 137 A Q 0 0 129 -2,-0.3 -23,-0.2 -25,-0.2 -25,-0.0 -0.746 360.0 360.0 -81.8 360.0 -3.0 44.9 16.2 82 ! 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 83 154 A M > 0 0 75 0, 0.0 4,-4.8 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 -12.4 -17.0 36.3 28.5 84 155 A N H > + 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.880 360.0 41.7 -55.9 -44.2 -14.9 33.2 29.1 85 156 A K H > S+ 0 0 183 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.975 121.9 43.0 -66.3 -53.5 -16.4 32.5 32.5 86 157 A E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.965 116.7 44.8 -53.2 -62.3 -19.9 33.4 31.2 87 158 A L H X S+ 0 0 3 -4,-4.8 4,-3.0 1,-0.3 -1,-0.2 0.905 114.9 50.5 -50.9 -45.5 -19.5 31.5 27.9 88 159 A K H X S+ 0 0 70 -4,-2.1 4,-2.0 -5,-0.4 -1,-0.3 0.859 110.9 49.6 -63.3 -35.5 -18.0 28.6 29.9 89 160 A K H X S+ 0 0 104 -4,-2.5 4,-2.5 -3,-0.3 3,-0.4 0.990 112.3 44.8 -66.2 -59.4 -20.9 28.7 32.3 90 161 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.3 5,-0.2 0.908 113.2 53.0 -49.0 -44.9 -23.6 28.7 29.6 91 162 A I H X S+ 0 0 4 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.3 0.885 107.2 52.0 -58.9 -39.4 -21.6 26.0 27.9 92 163 A G H < S+ 0 0 51 -4,-2.0 4,-0.3 -3,-0.4 3,-0.3 0.922 108.1 52.9 -62.4 -41.6 -21.7 24.1 31.2 93 164 A Q H < S+ 0 0 116 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.818 117.3 34.0 -62.9 -36.0 -25.5 24.5 31.3 94 165 A V H >X S+ 0 0 14 -4,-1.8 4,-1.1 -5,-0.2 3,-0.7 0.488 87.2 105.1-100.3 -3.5 -26.2 23.1 27.9 95 166 A R T 3< S+ 0 0 60 -4,-1.2 3,-0.2 -3,-0.3 -1,-0.2 0.762 81.0 46.8 -49.1 -38.0 -23.4 20.5 27.8 96 167 A D T 34 S+ 0 0 138 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.856 105.3 60.5 -75.0 -33.8 -25.7 17.5 28.4 97 168 A Q T <4 S+ 0 0 140 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.2 0.767 102.7 62.7 -63.3 -25.9 -28.1 18.6 25.7 98 169 A A S < S- 0 0 6 -4,-1.1 6,-0.1 -3,-0.2 4,-0.0 -0.860 71.2-149.0-107.6 137.9 -25.4 18.5 23.1 99 170 A E S S+ 0 0 151 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.884 84.3 35.4 -68.1 -40.0 -23.5 15.3 22.1 100 171 A H S > S- 0 0 122 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.835 77.1-124.9-118.7 154.8 -20.3 17.1 21.4 101 172 A L H > S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.886 111.8 62.9 -58.6 -40.3 -18.4 20.1 22.9 102 173 A K H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 107.4 41.9 -49.0 -52.9 -18.4 21.6 19.4 103 174 A T H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 111.6 53.7 -67.2 -38.7 -22.2 21.7 19.4 104 175 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 107.8 53.5 -62.7 -39.5 -22.5 22.9 23.1 105 176 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.920 109.2 45.3 -61.4 -46.1 -20.2 25.8 22.2 106 177 A Q H X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.852 112.4 53.1 -69.7 -30.6 -22.3 27.0 19.2 107 178 A M H X S+ 0 0 48 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.925 109.6 48.6 -66.7 -42.3 -25.4 26.6 21.4 108 179 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.894 110.2 50.8 -61.9 -43.8 -23.7 28.8 24.1 109 180 A V H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.944 111.1 49.0 -59.9 -47.6 -22.7 31.4 21.4 110 181 A F H X S+ 0 0 126 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.963 113.4 46.7 -56.4 -53.9 -26.4 31.5 20.2 111 182 A I H X S+ 0 0 56 -4,-2.8 4,-1.3 1,-0.2 3,-0.2 0.958 114.6 46.6 -54.8 -50.9 -27.7 31.9 23.8 112 183 A H H < S+ 0 0 25 -4,-3.2 13,-0.5 1,-0.2 3,-0.4 0.918 112.7 47.9 -60.7 -44.1 -25.2 34.6 24.7 113 184 A N H < S+ 0 0 13 -4,-2.8 13,-2.6 1,-0.2 14,-0.4 0.795 115.1 45.5 -69.5 -28.2 -25.8 36.6 21.5 114 185 A H H < S+ 0 0 100 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.578 81.7 114.7 -90.2 -13.0 -29.6 36.5 21.8 115 186 A K < - 0 0 108 -4,-1.3 10,-0.5 -3,-0.4 2,-0.2 -0.438 63.7-138.0 -61.2 116.8 -29.8 37.3 25.5 116 187 A R B -E 124 0B 153 -2,-0.3 8,-0.3 8,-0.2 6,-0.1 -0.573 15.8-120.9 -80.2 144.1 -31.5 40.7 25.8 117 188 A K - 0 0 172 6,-2.3 -1,-0.1 -2,-0.2 7,-0.1 0.592 59.3-119.6 -58.0 -9.3 -30.1 43.2 28.3 118 189 A G + 0 0 52 1,-0.2 4,-0.3 3,-0.1 5,-0.2 0.176 67.1 71.0 85.0 154.4 -33.5 43.1 29.9 119 190 A G S S- 0 0 68 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 -0.297 95.2 -14.5 95.9 177.4 -36.1 45.8 30.5 120 191 A I S S- 0 0 181 1,-0.2 2,-0.8 -2,-0.1 0, 0.0 -0.370 139.1 -3.7 -57.1 111.0 -38.4 47.8 28.2 121 192 A G S S- 0 0 43 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.538 88.1-165.7 103.8 -65.3 -37.0 47.1 24.7 122 193 A G - 0 0 8 -2,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.897 3.7-150.9 44.4 106.3 -34.0 45.1 25.8 123 194 A Y - 0 0 149 -5,-0.2 -6,-2.3 -7,-0.1 2,-0.2 -0.795 4.9-140.5-106.1 146.8 -31.3 44.6 23.1 124 195 A S B > -E 116 0B 7 -2,-0.3 4,-2.7 -8,-0.3 3,-0.2 -0.512 31.1-103.5 -96.6 169.7 -29.0 41.6 22.8 125 196 A A H > S+ 0 0 4 -10,-0.5 4,-2.5 -13,-0.5 -98,-0.3 0.898 124.0 54.8 -59.4 -37.3 -25.3 41.6 21.8 126 197 A G H > S+ 0 0 21 -13,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.854 110.0 43.7 -64.3 -37.6 -26.4 40.4 18.4 127 198 A E H > S+ 0 0 75 -14,-0.4 4,-2.1 -3,-0.2 -2,-0.2 0.911 112.9 54.4 -72.6 -41.9 -28.8 43.3 17.9 128 199 A R H X S+ 0 0 73 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.878 105.1 51.5 -59.9 -43.2 -26.2 45.7 19.2 129 200 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.936 110.3 47.6 -65.1 -43.6 -23.5 44.7 16.8 130 201 A V H X S+ 0 0 86 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.913 114.7 47.4 -62.9 -39.6 -25.7 45.0 13.7 131 202 A D H X S+ 0 0 103 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.944 112.3 48.3 -66.7 -46.7 -26.9 48.5 14.8 132 203 A I H X S+ 0 0 47 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.928 117.6 41.4 -60.2 -44.6 -23.4 49.7 15.7 133 204 A I H < S+ 0 0 32 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.899 116.8 48.9 -69.6 -42.3 -22.0 48.5 12.3 134 205 A A H < S+ 0 0 67 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.982 111.6 47.3 -58.8 -61.2 -25.0 49.7 10.4 135 206 A T H < 0 0 110 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 360.0 360.0 -48.4 -38.1 -25.1 53.1 11.9 136 207 A D < 0 0 137 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.598 360.0 360.0 -75.7 360.0 -21.3 53.4 11.3