==== 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 1B9F . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (C . AUTHOR J.GREENWALD,V.LE,S.L.BUTLER,F.D.BUSHMAN,S.CHOE . 151 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 41.7 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+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 0 0 0 0 0 1 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 . 0 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 56 A C 0 0 82 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.6 20.6 11.1 -10.5 2 57 A S > - 0 0 62 1,-0.2 3,-1.2 2,-0.1 23,-0.4 -0.385 360.0-130.9 -55.0 142.0 21.9 10.7 -7.0 3 58 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 23,-0.1 0.570 100.6 60.0 -72.6 -12.1 19.6 13.0 -4.9 4 59 A G T 3 S+ 0 0 8 51,-0.1 52,-2.5 19,-0.0 53,-2.1 0.347 80.9 105.6 -96.2 2.5 22.5 14.7 -3.2 5 60 A I E < +a 57 0A 25 -3,-1.2 19,-1.7 51,-0.2 20,-0.4 -0.744 42.0 174.5 -95.2 129.0 24.2 16.1 -6.3 6 61 A W E -aB 58 23A 2 51,-2.1 53,-2.6 -2,-0.5 2,-0.4 -0.930 21.5-142.3-122.5 155.7 24.1 19.8 -7.2 7 62 A Q E -aB 59 22A 1 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.917 17.8-170.2-114.2 136.5 25.7 21.9 -9.9 8 63 A L E + B 0 21A 5 51,-2.3 2,-0.3 -2,-0.4 53,-0.2 -0.994 16.3 148.2-134.3 124.2 26.9 25.4 -9.2 9 64 A D E - B 0 20A 19 11,-1.8 11,-3.3 -2,-0.4 2,-0.4 -0.951 36.5-123.3-142.0 167.9 28.1 28.0 -11.7 10 65 A C E - B 0 19A 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.910 22.3-170.5-115.1 143.7 28.1 31.8 -12.2 11 66 A T E - B 0 18A 36 7,-2.1 7,-2.5 -2,-0.4 2,-0.4 -0.814 17.9-125.9-127.8 160.2 26.7 33.5 -15.2 12 67 A H E + B 0 17A 103 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.936 32.7 155.7-116.2 139.8 27.0 37.2 -16.2 13 68 A L E > - B 0 16A 48 3,-1.7 3,-2.3 -2,-0.4 104,-0.0 -0.944 68.4 -6.7-161.3 129.3 24.3 39.7 -17.0 14 69 A E T 3 S- 0 0 100 1,-0.3 3,-0.1 -2,-0.3 103,-0.1 0.816 122.9 -60.9 54.5 33.1 24.2 43.5 -16.9 15 70 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.643 118.2 101.9 72.3 9.7 27.6 43.7 -15.2 16 71 A K E < S-B 13 0A 100 -3,-2.3 -3,-1.7 20,-0.0 2,-0.4 -0.796 70.5-118.2-115.5 172.4 26.4 41.7 -12.2 17 72 A V E -BC 12 34A 7 17,-1.6 17,-2.6 -2,-0.3 2,-0.6 -0.911 16.4-159.2-119.3 135.1 27.0 38.1 -11.3 18 73 A I E -BC 11 33A 0 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.6 -0.937 7.4-152.8-114.5 119.4 24.3 35.4 -10.9 19 74 A L E -BC 10 32A 1 13,-2.6 13,-1.6 -2,-0.6 2,-0.5 -0.807 16.6-165.4 -89.8 124.5 25.1 32.3 -9.0 20 75 A V E -BC 9 31A 1 -11,-3.3 -11,-1.8 -2,-0.6 2,-0.4 -0.960 9.4-172.8-119.8 116.9 23.0 29.4 -10.2 21 76 A A E -BC 8 30A 0 9,-2.9 9,-1.8 -2,-0.5 2,-0.4 -0.914 5.4-169.7-104.8 132.2 22.6 26.2 -8.3 22 77 A V E -BC 7 29A 0 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.8 -0.985 21.6-137.9-123.5 130.3 20.7 23.3 -10.0 23 78 A H E >> -B 6 0A 0 5,-2.8 4,-2.8 -2,-0.4 3,-0.5 -0.807 23.5-148.2 -84.0 112.2 19.6 20.1 -8.2 24 79 A V T 34 S+ 0 0 5 -19,-1.7 -1,-0.2 -2,-0.8 -18,-0.1 0.851 87.0 50.5 -55.0 -47.6 20.5 17.6 -10.9 25 80 A A T 34 S+ 0 0 32 -20,-0.4 -1,-0.2 -23,-0.4 -19,-0.1 0.794 125.8 24.0 -62.5 -31.5 17.9 14.9 -10.3 26 81 A S T <4 S- 0 0 4 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.719 92.8-124.7-106.1 -26.2 15.0 17.4 -10.4 27 82 A G < + 0 0 1 -4,-2.8 111,-0.1 1,-0.3 -3,-0.1 0.318 56.3 152.3 84.5 5.2 16.0 20.5 -12.3 28 83 A Y - 0 0 41 -5,-0.4 -5,-2.8 110,-0.4 2,-0.4 -0.337 29.6-152.4 -66.3 140.8 15.1 22.7 -9.3 29 84 A I E -C 22 0A 0 96,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.919 19.7-175.6-120.0 147.2 17.1 25.9 -9.2 30 85 A E E +C 21 0A 42 -9,-1.8 -9,-2.9 -2,-0.4 2,-0.3 -0.986 19.9 172.8-126.1 138.2 18.3 28.3 -6.4 31 86 A A E -C 20 0A 3 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.937 19.1-169.2-146.4 162.5 20.1 31.5 -7.3 32 87 A E E -C 19 0A 73 -13,-1.6 -13,-2.6 -2,-0.3 2,-0.6 -0.974 25.5-127.1-140.7 158.0 21.4 34.7 -5.8 33 88 A V E -C 18 0A 29 -2,-0.3 -15,-0.2 -15,-0.2 85,-0.0 -0.964 34.3-167.5-110.7 120.5 22.8 37.9 -7.5 34 89 A I E -C 17 0A 8 -17,-2.6 -17,-1.6 -2,-0.6 3,-0.1 -0.766 31.2-118.1-115.8 150.2 26.2 38.6 -6.1 35 90 A P S S- 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.932 89.1 -31.7 -50.7 -47.8 28.4 41.8 -6.4 36 91 A A S S- 0 0 50 -20,-0.1 2,-0.2 -19,-0.1 5,-0.1 -0.943 84.1 -70.5-164.4 165.0 31.2 39.9 -8.2 37 92 A E + 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.497 63.6 158.4 -68.0 118.5 32.6 36.4 -8.1 38 93 A T > - 0 0 58 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.967 52.0-125.5-139.2 152.9 34.4 35.8 -4.8 39 94 A G H > S+ 0 0 18 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.896 113.8 57.1 -62.1 -36.5 35.4 32.7 -2.8 40 95 A Q H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 107.6 45.3 -62.4 -42.2 33.5 34.3 0.1 41 96 A E H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 113.6 49.4 -68.9 -39.2 30.2 34.6 -1.8 42 97 A T H X S+ 0 0 12 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.954 112.5 48.7 -64.3 -39.8 30.5 31.1 -3.2 43 98 A A H X S+ 0 0 13 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.898 110.5 49.6 -66.1 -42.4 31.2 29.8 0.3 44 99 A Y H X S+ 0 0 139 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.934 111.4 49.4 -65.1 -42.2 28.3 31.6 1.9 45 100 A F H X S+ 0 0 9 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.933 109.9 51.1 -61.9 -39.4 25.9 30.3 -0.8 46 101 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.924 110.2 49.6 -63.5 -43.4 27.1 26.7 -0.3 47 102 A L H X S+ 0 0 73 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.908 112.5 47.7 -65.8 -38.9 26.6 27.0 3.5 48 103 A K H X S+ 0 0 48 -4,-2.4 4,-0.7 2,-0.2 3,-0.3 0.936 112.5 48.5 -59.3 -50.6 23.1 28.3 2.9 49 104 A L H >X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 3,-1.2 0.939 109.4 52.4 -59.5 -41.2 22.2 25.6 0.4 50 105 A A H 3< S+ 0 0 27 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.722 106.1 54.0 -70.8 -20.1 23.5 22.8 2.6 51 106 A G H 3< S+ 0 0 63 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.610 115.5 40.5 -83.9 -11.0 21.4 24.0 5.5 52 107 A R H << S+ 0 0 157 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.1 0.762 124.1 21.7-102.7 -37.3 18.3 23.9 3.3 53 108 A W S < S- 0 0 44 -4,-2.2 2,-1.6 -5,-0.2 -1,-0.3 -0.935 89.1 -96.0-132.3 157.2 18.8 20.6 1.3 54 109 A P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.618 48.7-171.2 -81.6 86.9 20.9 17.4 1.8 55 110 A V + 0 0 14 -2,-1.6 -50,-0.2 -5,-0.3 3,-0.1 -0.742 21.3 158.5 -85.4 117.4 23.9 18.5 -0.2 56 111 A K + 0 0 47 -52,-2.5 25,-2.5 -2,-0.6 2,-0.3 0.789 65.4 10.9-104.1 -42.7 26.4 15.6 -0.7 57 112 A T E -ad 5 81A 35 -53,-2.1 -51,-2.1 23,-0.2 2,-0.4 -0.965 58.1-158.2-139.2 148.9 28.4 16.6 -3.7 58 113 A V E -ad 6 82A 4 23,-1.7 25,-2.4 -2,-0.3 2,-0.3 -1.000 7.8-169.3-126.4 134.3 28.7 19.7 -5.9 59 114 A H E -a 7 0A 6 -53,-2.6 -51,-2.3 -2,-0.4 2,-0.3 -0.847 6.8-176.9-116.0 154.3 29.9 19.9 -9.5 60 115 A T - 0 0 7 23,-0.4 25,-0.2 -2,-0.3 3,-0.2 -0.950 33.8-133.3-143.7 162.8 30.9 23.0 -11.4 61 116 A D S S+ 0 0 112 -2,-0.3 2,-0.4 -53,-0.2 -52,-0.1 0.302 103.3 54.6 -99.4 8.2 32.0 23.8 -15.0 62 117 A N > - 0 0 73 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 -0.753 67.5-174.1-134.8 89.0 34.7 26.1 -13.7 63 118 A G G > S+ 0 0 46 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.763 80.5 67.1 -55.4 -34.6 36.8 24.0 -11.3 64 119 A S G > S+ 0 0 80 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.718 83.4 77.2 -59.5 -23.1 38.9 27.0 -10.2 65 120 A N G < S+ 0 0 34 -3,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.585 95.4 48.3 -57.0 -26.6 35.7 28.4 -8.6 66 121 A F G < S+ 0 0 18 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.077 85.2 93.7-109.3 18.9 36.2 26.0 -5.7 67 122 A T < + 0 0 95 -3,-1.6 -1,-0.1 4,-0.1 -2,-0.1 0.695 55.3 102.6 -74.5 -35.4 39.9 26.6 -4.9 68 123 A S S > S- 0 0 32 -4,-0.2 4,-2.2 -3,-0.2 5,-0.1 -0.166 76.3-122.3 -64.2 149.4 39.9 29.2 -2.2 69 124 A T H > S+ 0 0 117 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.886 112.6 56.0 -51.5 -45.0 40.5 28.5 1.4 70 125 A T H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 108.4 45.0 -64.5 -38.8 37.1 29.9 2.2 71 126 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.949 113.2 51.2 -70.5 -40.0 35.2 27.6 -0.2 72 127 A K H X S+ 0 0 125 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.927 109.2 52.1 -61.4 -37.9 37.1 24.6 1.1 73 128 A A H X S+ 0 0 47 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.869 109.0 48.9 -65.1 -41.2 36.3 25.6 4.6 74 129 A A H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 6,-0.2 0.943 113.2 46.7 -65.2 -42.3 32.5 25.8 3.8 75 130 A C H X>S+ 0 0 27 -4,-2.6 5,-2.3 2,-0.2 4,-1.1 0.915 113.6 50.5 -63.7 -43.0 32.6 22.3 2.1 76 131 A W H ><5S+ 0 0 195 -4,-2.7 3,-0.8 -5,-0.3 -2,-0.2 0.967 113.2 44.1 -57.4 -52.5 34.6 20.9 5.1 77 132 A W H 3<5S+ 0 0 182 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 118.0 42.9 -61.6 -46.6 32.2 22.3 7.7 78 133 A A H 3<5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.599 110.4-118.1 -79.5 -7.1 29.0 21.2 5.8 79 134 A G T <<5 + 0 0 58 -4,-1.1 2,-0.4 -3,-0.8 -3,-0.2 0.810 60.2 151.4 77.1 34.0 30.4 17.8 4.8 80 135 A I < - 0 0 8 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.757 28.2-159.9 -99.1 147.3 30.2 18.4 1.1 81 136 A K E -d 57 0A 154 -25,-2.5 -23,-1.7 -2,-0.4 2,-0.3 -0.774 24.1-108.5-121.3 153.6 32.5 16.7 -1.4 82 137 A Q E -d 58 0A 70 -2,-0.3 2,-0.7 -25,-0.2 -23,-0.2 -0.711 20.6-138.6 -86.3 140.7 33.3 17.8 -4.9 83 138 A E - 0 0 49 -25,-2.4 2,-0.8 -2,-0.3 -23,-0.4 -0.913 28.2-129.1 -93.3 108.8 31.9 15.7 -7.8 84 139 A F - 0 0 146 -2,-0.7 -25,-0.1 1,-0.1 -2,-0.0 -0.573 7.5-130.6 -76.9 114.4 34.8 15.6 -10.3 85 140 A A + 0 0 57 -2,-0.8 -1,-0.1 -25,-0.2 4,-0.1 0.618 62.1 132.3 -14.0 -73.5 33.9 16.5 -13.8 86 141 A I S S- 0 0 87 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.595 91.8 -11.0 7.0 94.2 35.5 13.4 -15.4 87 142 A P S S- 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.875 86.4-145.8 65.4 40.0 32.9 12.1 -17.7 88 143 A Y - 0 0 39 1,-0.2 5,-0.1 2,-0.1 -2,-0.1 -0.125 40.2 -92.2 -39.9 110.0 30.2 14.5 -16.3 89 144 A N > - 0 0 83 -3,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.129 33.6-134.5 -36.2 123.8 27.3 12.1 -16.7 90 145 A P H > S+ 0 0 109 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.835 104.6 46.5 -51.8 -44.5 25.8 12.8 -20.1 91 146 A Q H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.973 115.6 49.4 -65.0 -46.1 22.1 12.8 -18.9 92 147 A S H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.894 108.7 49.1 -58.3 -47.9 23.2 15.0 -16.0 93 148 A Q H X S+ 0 0 31 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.866 109.4 55.1 -61.7 -36.0 25.1 17.6 -18.1 94 149 A A H X S+ 0 0 56 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.858 106.4 50.5 -65.5 -35.8 22.1 17.8 -20.4 95 150 A V H X S+ 0 0 44 -4,-1.7 4,-3.2 -3,-0.3 5,-0.3 0.964 111.7 49.0 -63.1 -52.2 19.8 18.6 -17.4 96 151 A I H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.882 112.7 44.3 -56.2 -44.8 22.2 21.4 -16.3 97 152 A E H X S+ 0 0 133 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.901 114.9 50.8 -68.6 -39.7 22.6 23.1 -19.6 98 153 A S H X S+ 0 0 60 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.932 112.1 44.8 -65.9 -43.8 18.9 22.9 -20.2 99 154 A M H X S+ 0 0 16 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.912 114.7 49.2 -68.0 -40.1 17.9 24.4 -16.8 100 155 A N H X S+ 0 0 29 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.966 112.1 48.8 -63.3 -46.8 20.5 27.1 -17.2 101 156 A K H X S+ 0 0 63 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.930 111.6 49.5 -55.2 -48.5 19.2 27.9 -20.8 102 157 A E H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.914 109.5 51.7 -58.1 -44.0 15.6 28.0 -19.5 103 158 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.946 108.4 49.7 -61.5 -45.3 16.5 30.4 -16.7 104 159 A K H X S+ 0 0 89 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.932 111.5 50.8 -62.2 -33.6 18.3 32.9 -18.9 105 160 A K H X S+ 0 0 143 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.942 110.6 48.0 -68.2 -46.7 15.2 32.8 -21.3 106 161 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.907 106.8 56.5 -63.3 -40.5 12.8 33.5 -18.4 107 162 A I H X S+ 0 0 5 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.942 107.8 49.1 -54.2 -47.5 14.9 36.3 -17.0 108 163 A G H < S+ 0 0 55 -4,-1.8 4,-0.4 -5,-0.2 3,-0.3 0.903 110.0 51.8 -58.1 -43.1 14.7 38.0 -20.4 109 164 A Q H < S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 120.6 31.7 -64.5 -34.7 10.9 37.5 -20.5 110 165 A V H >< S+ 0 0 18 -4,-2.2 3,-2.7 1,-0.1 4,-0.4 0.483 88.1 106.3-100.7 -1.1 10.2 39.0 -17.1 111 166 A R G >< S+ 0 0 55 -4,-1.3 3,-1.1 1,-0.3 9,-0.1 0.842 79.6 47.7 -52.0 -43.7 13.1 41.6 -17.0 112 167 A D G 3 S+ 0 0 108 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.425 97.7 70.7 -83.4 8.4 10.9 44.7 -17.6 113 168 A Q G < S+ 0 0 161 -3,-2.7 2,-0.4 1,-0.1 -1,-0.2 0.396 102.4 48.7 -97.0 0.6 8.4 43.7 -14.9 114 169 A A S < S- 0 0 14 -3,-1.1 -1,-0.1 -4,-0.4 6,-0.1 -1.000 71.9-145.0-134.9 142.8 11.0 44.4 -12.2 115 170 A E S S+ 0 0 83 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.981 86.0 51.3 -69.3 -53.7 13.2 47.5 -11.8 116 171 A H S >> S- 0 0 132 1,-0.1 4,-2.0 -4,-0.0 3,-0.5 -0.617 78.2-132.0 -91.1 146.3 16.2 45.6 -10.5 117 172 A L H 3> S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.869 106.4 59.7 -58.7 -39.0 17.9 42.5 -12.1 118 173 A K H 3> S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 105.0 50.0 -62.2 -34.3 18.0 40.7 -8.7 119 174 A T H <> S+ 0 0 63 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.951 110.6 49.0 -65.3 -47.7 14.2 40.9 -8.6 120 175 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.925 107.7 55.2 -61.4 -32.8 13.8 39.6 -12.1 121 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.944 109.7 45.9 -64.6 -42.4 16.2 36.7 -11.3 122 177 A Q H X S+ 0 0 77 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.895 110.7 52.3 -73.6 -25.6 14.0 35.6 -8.4 123 178 A M H X S+ 0 0 58 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.927 110.5 50.8 -68.0 -38.6 10.8 35.9 -10.5 124 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.946 108.8 49.4 -64.2 -37.4 12.6 33.7 -13.1 125 180 A V H X S+ 0 0 13 -4,-2.5 4,-2.7 -5,-0.2 -96,-0.2 0.923 111.3 50.7 -63.8 -45.4 13.5 31.1 -10.5 126 181 A F H X S+ 0 0 128 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.951 112.7 44.8 -59.4 -45.6 9.9 31.1 -9.2 127 182 A I H X S+ 0 0 57 -4,-2.6 4,-1.4 1,-0.2 3,-0.2 0.927 114.6 49.8 -64.0 -47.8 8.5 30.6 -12.7 128 183 A H H >< S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.2 10,-0.5 0.948 112.1 45.4 -53.2 -52.4 11.1 28.0 -13.5 129 184 A N H 3< S+ 0 0 17 -4,-2.7 10,-2.4 -5,-0.3 11,-0.4 0.789 115.2 47.0 -71.3 -22.2 10.5 25.9 -10.4 130 185 A K H 3< S+ 0 0 129 -4,-1.5 2,-0.2 -3,-0.2 -1,-0.2 0.646 83.7 113.4 -96.3 -4.8 6.7 26.0 -10.6 131 186 A K << - 0 0 87 -4,-1.4 7,-0.5 -3,-0.5 2,-0.3 -0.320 63.9-135.4 -74.7 120.5 6.5 25.1 -14.3 132 187 A R 0 0 157 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.638 360.0 360.0 -79.7 133.4 4.8 21.8 -14.9 133 188 A K 0 0 108 3,-1.7 3,-0.7 -2,-0.3 -1,-0.1 -0.832 360.0 360.0-122.3 360.0 6.6 19.6 -17.4 134 ! 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 0.0 135 193 A G 0 0 77 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 152.5 3.6 16.1 -15.5 136 194 A Y - 0 0 158 -3,-0.7 -3,-1.7 -4,-0.1 2,-0.2 -0.788 360.0-112.9-120.4 162.7 5.2 17.7 -12.4 137 195 A S > - 0 0 8 -2,-0.3 4,-2.6 -5,-0.2 -5,-0.2 -0.494 31.6-108.3 -86.5 166.0 7.3 20.8 -11.7 138 196 A A H > S+ 0 0 2 -10,-0.5 4,-3.0 -7,-0.5 -110,-0.4 0.903 122.1 54.5 -58.6 -37.6 10.9 20.9 -10.6 139 197 A G H > S+ 0 0 20 -10,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.904 110.0 45.6 -64.7 -41.3 9.8 22.1 -7.2 140 198 A E H > S+ 0 0 65 -11,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.947 112.8 51.6 -65.7 -42.5 7.4 19.1 -7.0 141 199 A R H X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.902 106.7 52.4 -62.1 -46.9 10.1 16.7 -8.1 142 200 A I H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.939 111.0 45.3 -62.0 -45.6 12.8 17.9 -5.6 143 201 A V H X S+ 0 0 84 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.897 114.5 50.0 -64.2 -38.7 10.5 17.4 -2.6 144 202 A D H X S+ 0 0 104 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.945 113.1 46.4 -59.4 -50.3 9.3 14.0 -3.9 145 203 A I H X S+ 0 0 47 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.925 117.1 42.3 -60.0 -48.0 12.9 12.8 -4.5 146 204 A I H X S+ 0 0 27 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.912 115.7 48.7 -69.4 -40.8 14.2 14.1 -1.1 147 205 A A H >X S+ 0 0 46 -4,-2.4 3,-0.8 -5,-0.3 4,-0.7 0.948 112.3 48.4 -64.9 -42.8 11.2 12.8 0.9 148 206 A T H >< S+ 0 0 85 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.874 107.9 56.6 -64.1 -35.6 11.3 9.4 -0.8 149 207 A D H 3< S+ 0 0 105 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.748 92.9 69.6 -68.6 -22.9 15.1 9.3 0.0 150 208 A I H << S+ 0 0 131 -4,-1.1 2,-1.1 -3,-0.8 -1,-0.2 0.878 90.3 66.4 -59.5 -41.8 14.4 9.8 3.7 151 209 A Q << 0 0 152 -4,-0.7 -1,-0.2 -3,-0.7 -4,-0.0 -0.688 360.0 360.0 -92.2 87.5 12.9 6.3 4.1 152 210 A T 0 0 150 -2,-1.1 -1,-0.1 -3,-0.1 -3,-0.1 0.455 360.0 360.0 -31.6 360.0 15.6 3.7 3.4