==== 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 TRANSFERASE 11-FEB-99 1B9D . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR J.GREENWALD,V.LE,S.L.BUTLER,F.D.BUSHMAN,S.CHOE . 143 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 75.5 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 . 18 12.6 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 . 1 0.7 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 . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 41.3 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 0 0 1 2 0 1 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 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 . 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 0 105 0, 0.0 3,-1.3 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 123.9 21.7 10.8 -7.0 2 58 A P T 3 + 0 0 36 0, 0.0 23,-0.1 0, 0.0 137,-0.0 0.528 360.0 53.1 -70.2 -17.9 19.7 13.1 -4.6 3 59 A G T 3 S+ 0 0 8 51,-0.1 52,-2.3 49,-0.0 53,-1.9 0.304 81.5 110.5-102.2 14.8 22.5 15.0 -3.0 4 60 A I E < +a 56 0A 27 -3,-1.3 19,-1.7 51,-0.2 20,-0.4 -0.715 40.1 174.6 -97.8 129.5 24.3 16.2 -6.2 5 61 A W E -aB 57 22A 2 51,-2.0 53,-2.5 -2,-0.4 2,-0.4 -0.962 21.0-143.9-125.3 147.9 24.2 19.9 -7.0 6 62 A Q E -aB 58 21A 3 15,-2.6 15,-2.8 -2,-0.3 2,-0.4 -0.941 17.1-169.0-110.5 136.5 25.8 21.9 -9.8 7 63 A L E + B 0 20A 5 51,-2.5 54,-0.3 -2,-0.4 2,-0.3 -0.999 16.7 146.8-130.8 131.0 27.1 25.5 -9.1 8 64 A D E - B 0 19A 17 11,-2.0 11,-3.4 -2,-0.4 2,-0.4 -0.939 36.1-122.7-148.6 167.3 28.3 28.1 -11.6 9 65 A C E - B 0 18A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.931 22.1-172.6-115.2 143.6 28.3 31.8 -12.1 10 66 A T E - B 0 17A 28 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.825 17.3-129.2-125.5 167.8 26.9 33.6 -15.1 11 67 A H E + B 0 16A 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.949 29.1 160.6-125.0 140.6 27.1 37.3 -16.1 12 68 A L E > S- B 0 15A 49 3,-1.8 3,-1.9 -2,-0.4 97,-0.0 -0.952 70.2 -7.5-158.4 126.7 24.4 39.7 -17.1 13 69 A E T 3 S- 0 0 99 -2,-0.3 3,-0.1 1,-0.3 96,-0.1 0.800 125.8 -56.0 59.8 27.6 24.4 43.5 -17.1 14 70 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.722 118.0 104.5 82.2 6.5 27.8 43.8 -15.4 15 71 A K E < -B 12 0A 99 -3,-1.9 -3,-1.8 20,-0.0 2,-0.4 -0.905 68.2-120.5-118.5 169.1 26.6 41.7 -12.4 16 72 A V E -BC 11 33A 14 17,-1.1 17,-2.7 -2,-0.3 2,-0.6 -0.892 16.6-162.2-114.4 132.1 27.2 38.2 -11.4 17 73 A I E -BC 10 32A 1 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.6 -0.942 7.7-153.3-113.8 119.5 24.5 35.5 -11.0 18 74 A L E -BC 9 31A 0 13,-2.7 13,-1.7 -2,-0.6 2,-0.5 -0.835 17.0-168.0 -90.4 124.7 25.3 32.5 -9.0 19 75 A V E -BC 8 30A 1 -11,-3.4 -11,-2.0 -2,-0.6 2,-0.5 -0.964 9.1-173.7-121.4 120.1 23.2 29.6 -10.2 20 76 A A E -BC 7 29A 0 9,-2.7 9,-2.3 -2,-0.5 2,-0.4 -0.945 6.0-168.4-108.1 135.9 22.8 26.3 -8.3 21 77 A V E -BC 6 28A 1 -15,-2.8 -15,-2.6 -2,-0.5 2,-0.8 -0.978 23.0-134.8-127.0 131.5 20.9 23.4 -9.9 22 78 A H E >> -B 5 0A 1 5,-2.8 4,-2.6 -2,-0.4 3,-0.5 -0.807 25.9-147.2 -79.9 113.4 19.8 20.2 -8.1 23 79 A V T 34 S+ 0 0 47 -19,-1.7 -1,-0.2 -2,-0.8 -18,-0.1 0.824 87.4 49.8 -56.7 -44.8 20.8 17.7 -10.8 24 80 A A T 34 S+ 0 0 49 -20,-0.4 -1,-0.2 -23,-0.4 -19,-0.1 0.781 125.5 24.7 -65.4 -31.2 18.1 15.1 -10.4 25 81 A S T <4 S- 0 0 4 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.685 92.9-124.8-107.8 -25.9 15.2 17.5 -10.4 26 82 A G < + 0 0 4 -4,-2.6 105,-0.1 1,-0.3 -3,-0.1 0.497 56.1 151.1 84.7 6.2 16.2 20.6 -12.3 27 83 A Y - 0 0 39 -5,-0.4 -5,-2.8 104,-0.3 2,-0.3 -0.450 30.0-153.1 -72.0 142.6 15.3 22.8 -9.4 28 84 A I E -C 21 0A 1 89,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.873 19.3-173.0-121.6 149.4 17.3 26.0 -9.2 29 85 A E E +C 20 0A 43 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.3 -0.994 20.4 173.6-127.2 138.3 18.4 28.4 -6.4 30 86 A A E -C 19 0A 2 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.946 19.3-171.7-148.2 157.4 20.2 31.6 -7.3 31 87 A E E -C 18 0A 74 -13,-1.7 -13,-2.7 -2,-0.3 2,-0.6 -0.973 28.3-125.9-139.2 153.3 21.6 34.9 -5.8 32 88 A V E -C 17 0A 32 -2,-0.3 -15,-0.2 -15,-0.2 78,-0.0 -0.956 37.3-157.1-101.6 124.0 22.9 38.0 -7.6 33 89 A I E -C 16 0A 8 -17,-2.7 -17,-1.1 -2,-0.6 3,-0.1 -0.755 22.0-131.4-112.8 153.9 26.3 38.5 -6.0 34 90 A P S S- 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.829 88.7 -1.6 -74.4 -29.3 28.3 41.6 -5.8 35 91 A A S S- 0 0 44 2,-0.1 2,-0.7 -20,-0.1 5,-0.1 -0.983 75.6-104.9-157.1 147.3 31.5 40.0 -7.0 36 92 A E + 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.735 67.3 145.2 -70.2 108.0 32.7 36.6 -8.1 37 93 A T > - 0 0 49 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.980 64.2-117.3-143.2 161.1 34.7 35.8 -4.9 38 94 A G H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.886 115.4 57.5 -65.9 -33.8 35.6 32.8 -2.8 39 95 A Q H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 108.1 44.9 -62.7 -43.9 33.7 34.5 0.2 40 96 A E H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 113.6 49.9 -67.7 -40.9 30.5 34.7 -1.8 41 97 A T H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 112.0 48.3 -60.9 -46.7 30.8 31.1 -3.1 42 98 A A H X S+ 0 0 8 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.898 110.8 50.1 -62.0 -43.9 31.4 29.8 0.4 43 99 A Y H X S+ 0 0 140 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.926 111.1 49.0 -62.9 -41.9 28.5 31.7 2.0 44 100 A F H X S+ 0 0 8 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.933 110.1 51.6 -61.1 -39.0 26.1 30.5 -0.7 45 101 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 110.1 49.1 -61.7 -43.3 27.3 26.9 -0.2 46 102 A L H X S+ 0 0 74 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.890 112.5 47.9 -67.0 -42.0 26.7 27.1 3.6 47 103 A K H X S+ 0 0 50 -4,-2.3 4,-0.7 -5,-0.2 3,-0.3 0.935 112.1 49.3 -55.9 -55.4 23.3 28.6 3.0 48 104 A L H >X S+ 0 0 5 -4,-2.8 4,-2.3 -5,-0.2 3,-1.5 0.947 107.8 53.8 -51.8 -43.0 22.4 25.8 0.5 49 105 A A H 3< S+ 0 0 27 -4,-2.6 5,-0.3 1,-0.3 -1,-0.2 0.750 106.0 53.0 -71.4 -21.4 23.6 23.0 2.8 50 106 A G H 3< S+ 0 0 64 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.596 115.1 41.6 -85.7 -7.9 21.4 24.2 5.6 51 107 A R H << S+ 0 0 159 -3,-1.5 -2,-0.2 -4,-0.7 -1,-0.1 0.772 125.0 18.9-104.4 -33.5 18.3 24.2 3.3 52 108 A W S < S- 0 0 48 -4,-2.3 2,-1.5 -5,-0.1 -1,-0.3 -0.948 89.2 -95.4-136.1 156.9 18.8 20.9 1.3 53 109 A P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.600 47.2-171.3 -78.1 88.1 20.9 17.7 1.9 54 110 A V + 0 0 13 -2,-1.5 -50,-0.2 -5,-0.3 3,-0.1 -0.738 20.6 159.6 -86.7 117.0 24.0 18.7 -0.1 55 111 A K + 0 0 52 -52,-2.3 25,-2.2 -2,-0.6 2,-0.3 0.805 66.2 7.7-102.9 -41.7 26.4 15.8 -0.5 56 112 A T E -ad 4 80A 26 -53,-1.9 -51,-2.0 23,-0.2 2,-0.4 -0.977 58.8-156.0-140.0 151.2 28.4 16.7 -3.5 57 113 A V E -ad 5 81A 3 23,-1.7 25,-2.4 -2,-0.3 2,-0.3 -0.993 7.2-169.1-129.3 135.6 28.8 19.8 -5.8 58 114 A H E -a 6 0A 57 -53,-2.5 -51,-2.5 -2,-0.4 2,-0.3 -0.861 7.6-176.9-113.8 157.6 30.0 19.8 -9.4 59 115 A T - 0 0 9 -2,-0.3 3,-0.2 23,-0.2 -51,-0.1 -0.943 34.7-132.2-146.9 163.6 30.9 22.9 -11.4 60 116 A D S S+ 0 0 109 -2,-0.3 2,-0.3 -53,-0.2 -52,-0.1 0.185 104.1 54.3 -98.3 7.2 32.0 23.8 -14.9 61 117 A N > - 0 0 70 -54,-0.3 3,-2.3 1,-0.1 -1,-0.2 -0.706 67.2-174.8-135.3 88.3 34.8 26.0 -13.6 62 118 A G G > S+ 0 0 42 -2,-0.3 3,-2.4 1,-0.3 -1,-0.1 0.782 79.4 67.8 -57.7 -32.0 36.9 23.9 -11.1 63 119 A S G > S+ 0 0 80 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.726 82.9 77.1 -60.7 -19.3 39.0 26.9 -10.1 64 120 A N G < S+ 0 0 33 -3,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.637 96.8 46.9 -63.4 -20.5 35.9 28.4 -8.4 65 121 A F G < S+ 0 0 18 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.031 85.8 89.5-110.5 16.3 36.4 25.9 -5.6 66 122 A T < + 0 0 88 -3,-1.4 -1,-0.2 4,-0.1 -2,-0.1 0.637 58.3 103.2 -88.7 -17.8 40.1 26.2 -4.8 67 123 A S S > S- 0 0 37 -3,-0.2 4,-2.2 -4,-0.2 5,-0.1 -0.234 77.3-120.0 -68.5 149.5 40.2 29.0 -2.1 68 124 A T H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 113.2 57.0 -50.9 -45.9 40.7 28.4 1.5 69 125 A T H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 109.3 42.7 -57.8 -48.2 37.3 30.1 2.2 70 126 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.956 113.1 52.4 -67.0 -41.1 35.4 27.7 -0.1 71 127 A K H X S+ 0 0 127 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.901 108.1 52.6 -58.6 -39.5 37.2 24.6 1.2 72 128 A A H X S+ 0 0 49 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.829 108.5 49.3 -65.4 -38.1 36.4 25.6 4.8 73 129 A A H X S+ 0 0 14 -4,-1.7 4,-2.2 -5,-0.2 6,-0.2 0.943 112.4 47.3 -66.6 -43.0 32.7 25.9 4.0 74 130 A C H X>S+ 0 0 26 -4,-2.6 5,-2.3 1,-0.2 4,-1.2 0.936 113.1 51.0 -62.3 -40.0 32.7 22.4 2.3 75 131 A W H ><5S+ 0 0 196 -4,-2.7 3,-0.8 -5,-0.2 -2,-0.2 0.956 112.2 44.8 -59.9 -51.8 34.6 21.0 5.3 76 132 A W H 3<5S+ 0 0 185 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.892 118.4 42.5 -62.0 -45.7 32.2 22.4 7.9 77 133 A A H 3<5S- 0 0 31 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.607 109.7-118.8 -78.9 -2.2 29.1 21.4 6.0 78 134 A G T <<5 + 0 0 56 -4,-1.2 2,-0.4 -3,-0.8 -3,-0.2 0.812 60.2 150.7 73.6 32.2 30.5 17.9 5.0 79 135 A I < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.770 26.0-164.8 -97.6 149.4 30.3 18.5 1.3 80 136 A K E -d 56 0A 152 -25,-2.2 -23,-1.7 -2,-0.4 2,-0.4 -0.768 29.3 -97.8-125.7 162.2 32.6 16.9 -1.2 81 137 A Q E -d 57 0A 80 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.690 34.8-124.3 -82.9 137.6 33.4 17.7 -4.8 82 138 A E - 0 0 46 -25,-2.4 -23,-0.2 -2,-0.4 -1,-0.0 -0.706 18.0-155.8 -81.7 122.2 31.5 15.6 -7.3 83 139 A F 0 0 188 -2,-0.5 -1,-0.1 1,-0.2 -25,-0.1 0.312 360.0 360.0 -88.9 12.2 34.1 13.9 -9.6 84 140 A G 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -26,-0.0 -0.291 360.0 360.0 159.3 360.0 31.9 13.3 -12.7 85 ! 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 86 149 A G > 0 0 96 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -8.6 22.3 17.7 -20.5 87 150 A V H > + 0 0 46 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.946 360.0 45.8 -61.3 -51.6 20.1 18.8 -17.6 88 151 A I H > S+ 0 0 34 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.808 109.7 54.3 -64.2 -34.8 22.3 21.6 -16.4 89 152 A E H > S+ 0 0 153 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.910 109.3 48.4 -69.2 -38.1 22.9 23.1 -19.9 90 153 A S H X S+ 0 0 61 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.733 108.8 54.2 -73.3 -24.3 19.2 23.3 -20.5 91 154 A M H X S+ 0 0 15 -4,-1.2 4,-1.1 3,-0.1 -1,-0.2 0.722 104.9 51.6 -85.5 -20.2 18.4 25.0 -17.2 92 155 A N H X S+ 0 0 27 -4,-1.1 4,-1.4 -3,-0.3 -2,-0.2 0.737 113.4 39.7 -90.1 -26.7 20.9 28.0 -17.5 93 156 A K H X S+ 0 0 69 -4,-1.0 4,-2.2 2,-0.2 -2,-0.1 0.738 114.4 57.0 -87.7 -23.8 20.0 29.4 -20.9 94 157 A E H X S+ 0 0 37 -4,-0.6 4,-3.1 -5,-0.2 5,-0.2 0.912 106.0 50.8 -64.2 -42.4 16.4 28.7 -19.9 95 158 A L H X S+ 0 0 4 -4,-1.1 4,-3.1 2,-0.2 5,-0.2 0.947 110.7 46.5 -65.3 -44.0 17.0 30.9 -16.9 96 159 A K H X S+ 0 0 86 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.899 111.4 54.0 -63.3 -37.0 18.5 33.7 -19.0 97 160 A K H X S+ 0 0 139 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.968 112.1 42.7 -60.4 -52.9 15.5 33.3 -21.4 98 161 A I H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 5,-0.3 0.936 112.4 53.9 -62.2 -40.1 13.0 33.7 -18.5 99 162 A I H X S+ 0 0 4 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.943 107.5 51.6 -55.3 -45.3 15.0 36.6 -17.1 100 163 A G H < S+ 0 0 54 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.919 108.3 52.0 -57.9 -44.1 14.9 38.4 -20.5 101 164 A Q H < S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 119.8 31.8 -63.0 -35.7 11.1 37.9 -20.6 102 165 A V H >X S+ 0 0 12 -4,-1.9 3,-2.5 -3,-0.2 4,-0.6 0.433 87.1 105.3-102.5 2.5 10.4 39.5 -17.1 103 166 A R G >< S+ 0 0 60 -4,-1.2 3,-0.9 -3,-0.3 -1,-0.1 0.847 80.3 50.0 -55.4 -39.4 13.2 42.0 -17.0 104 167 A D G 34 S+ 0 0 109 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.564 98.7 68.8 -76.9 -5.9 11.0 45.0 -17.7 105 168 A Q G <4 S+ 0 0 148 -3,-2.5 2,-0.4 1,-0.1 -1,-0.2 0.515 102.9 47.6 -84.3 -13.6 8.6 43.8 -14.9 106 169 A A S << S- 0 0 14 -3,-0.9 -1,-0.1 -4,-0.6 6,-0.0 -0.997 70.5-144.4-125.3 149.8 11.2 44.6 -12.2 107 170 A E S S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.944 87.1 51.0 -71.8 -49.2 13.4 47.7 -11.8 108 171 A H S >> S- 0 0 123 1,-0.1 4,-1.9 -4,-0.0 3,-0.6 -0.704 78.1-131.9 -96.2 147.7 16.4 45.8 -10.6 109 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.875 106.5 60.2 -56.3 -44.0 18.1 42.7 -12.1 110 173 A K H 3> S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 103.6 50.3 -57.5 -36.1 18.1 40.9 -8.8 111 174 A T H <> S+ 0 0 63 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.952 110.5 50.1 -64.2 -46.9 14.3 41.0 -8.6 112 175 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.925 106.4 55.5 -59.0 -34.6 14.0 39.7 -12.2 113 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.929 109.6 45.8 -61.1 -48.1 16.4 36.8 -11.3 114 177 A Q H X S+ 0 0 74 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.874 110.0 53.6 -72.3 -24.0 14.2 35.8 -8.5 115 178 A M H X S+ 0 0 58 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.929 109.8 50.2 -65.6 -39.3 11.0 36.1 -10.6 116 179 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.930 108.2 50.8 -68.9 -34.5 12.8 33.8 -13.1 117 180 A V H X S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.2 -89,-0.2 0.934 111.3 49.9 -62.5 -45.9 13.7 31.2 -10.4 118 181 A F H X S+ 0 0 130 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.946 112.9 44.9 -60.6 -41.1 10.1 31.2 -9.3 119 182 A I H X S+ 0 0 53 -4,-2.8 4,-1.5 1,-0.2 3,-0.3 0.943 114.9 49.3 -70.1 -43.9 8.7 30.7 -12.8 120 183 A H H < S+ 0 0 1 -4,-2.9 11,-0.5 -5,-0.2 3,-0.4 0.947 111.7 46.2 -53.3 -51.7 11.3 28.1 -13.5 121 184 A N H < S+ 0 0 17 -4,-2.4 11,-2.5 -5,-0.3 12,-0.4 0.825 115.0 46.4 -72.4 -24.9 10.7 26.0 -10.4 122 185 A K H < S+ 0 0 130 -4,-1.7 -1,-0.2 -3,-0.3 2,-0.2 0.629 81.9 116.0 -94.2 -7.2 6.9 26.1 -10.7 123 186 A K < - 0 0 87 -4,-1.5 8,-0.5 -3,-0.4 2,-0.4 -0.268 62.1-140.0 -65.2 118.3 6.7 25.2 -14.4 124 187 A R B -E 130 0B 168 -2,-0.2 2,-0.7 6,-0.2 6,-0.3 -0.705 13.3-156.4 -82.3 129.9 5.0 21.8 -14.8 125 188 A K 0 0 81 4,-2.1 4,-0.3 -2,-0.4 -1,-0.1 -0.831 360.0 360.0-108.5 84.0 6.8 19.9 -17.5 126 189 A G 0 0 109 -2,-0.7 -2,-0.1 2,-0.3 4,-0.0 -0.857 360.0 360.0-153.1 360.0 4.5 17.3 -19.1 127 ! 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 66 0, 0.0 -2,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 88.9 4.5 16.2 -15.9 129 194 A Y - 0 0 155 -4,-0.3 -4,-2.1 -5,-0.2 2,-0.2 -0.332 360.0-100.8 -92.4 170.3 5.4 17.8 -12.5 130 195 A S B > -E 124 0B 7 -6,-0.3 4,-2.7 -2,-0.1 -6,-0.2 -0.522 30.5-108.9 -87.4 167.0 7.5 20.9 -11.8 131 196 A A H > S+ 0 0 1 -11,-0.5 4,-2.9 -8,-0.5 -104,-0.3 0.910 121.8 52.4 -60.7 -37.0 11.1 21.0 -10.7 132 197 A G H > S+ 0 0 18 -11,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.852 109.9 48.1 -66.9 -39.5 10.0 22.1 -7.2 133 198 A E H > S+ 0 0 58 -12,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.937 112.5 50.1 -61.6 -40.4 7.6 19.1 -7.1 134 199 A R H X S+ 0 0 62 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.898 107.1 52.7 -66.9 -42.5 10.3 16.7 -8.2 135 200 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.926 110.9 45.9 -64.8 -41.5 12.9 17.9 -5.7 136 201 A V H X S+ 0 0 81 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.919 114.2 49.0 -68.5 -33.6 10.6 17.4 -2.7 137 202 A D H X S+ 0 0 103 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.940 113.1 47.9 -64.1 -48.2 9.5 14.0 -4.0 138 203 A I H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.957 116.9 41.6 -56.5 -50.6 13.1 12.9 -4.5 139 204 A I H X S+ 0 0 18 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.927 115.6 48.3 -68.8 -40.8 14.2 14.1 -1.1 140 205 A A H X S+ 0 0 47 -4,-2.8 4,-1.8 -5,-0.2 3,-0.2 0.949 113.0 49.1 -65.8 -41.6 11.2 12.8 0.8 141 206 A T H < S+ 0 0 87 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.934 109.8 52.2 -61.7 -43.0 11.5 9.4 -0.9 142 207 A D H < S+ 0 0 90 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.839 105.2 55.7 -61.9 -35.1 15.2 9.3 -0.1 143 208 A I H < S+ 0 0 126 -4,-1.8 2,-2.7 -3,-0.2 -1,-0.2 0.963 95.1 66.5 -63.2 -48.8 14.5 10.0 3.6 144 209 A Q < 0 0 167 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.249 360.0 360.0 -78.1 60.9 12.1 7.0 4.0 145 210 A T 0 0 123 -2,-2.7 -1,-0.1 -3,-0.3 -4,-0.0 -0.614 360.0 360.0 66.0 360.0 14.9 4.5 3.4