==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE 04-MAR-97 1VSJ . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS (STRAIN SCHMIDT- . AUTHOR G.BUJACZ,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.3 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 . 0 0.0 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 54 A G 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.7 22.4 28.5 51.8 2 55 A L + 0 0 185 3,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.070 360.0 133.3 -87.7 31.3 24.7 26.4 54.0 3 56 A G - 0 0 51 1,-0.2 28,-0.0 0, 0.0 0, 0.0 -0.254 65.8 -64.6 -79.0 167.2 27.8 27.3 52.0 4 57 A P - 0 0 96 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.078 55.9-105.4 -57.8 149.2 31.1 28.4 53.3 5 58 A L - 0 0 117 -3,-0.1 2,-1.5 1,-0.1 26,-0.0 -0.493 31.0-111.1 -76.0 145.9 31.4 31.7 55.2 6 59 A Q + 0 0 81 -2,-0.2 57,-2.9 24,-0.1 58,-1.3 -0.673 61.7 150.0 -82.3 76.3 33.1 34.7 53.4 7 60 A I E -a 64 0A 42 -2,-1.5 23,-2.5 55,-0.2 24,-0.4 -0.976 27.9-161.2-122.9 130.7 36.2 34.8 55.5 8 61 A W E -aB 65 29A 3 56,-2.0 58,-2.7 -2,-0.4 2,-0.5 -0.709 10.1-153.7-110.4 155.9 39.7 36.0 54.5 9 62 A Q E -aB 66 28A 18 19,-1.9 19,-2.5 -2,-0.2 2,-0.4 -0.999 22.5-172.1-122.1 123.9 43.1 35.4 56.0 10 63 A T E + B 0 27A 1 56,-2.0 58,-0.5 -2,-0.5 2,-0.3 -0.945 12.4 152.9-119.6 148.0 45.6 38.2 55.1 11 64 A D E - B 0 26A 15 15,-2.1 15,-3.0 -2,-0.4 2,-0.3 -0.985 34.0-121.6-157.4 169.8 49.3 38.6 55.7 12 65 A F E - B 0 25A 12 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.854 24.0-178.6-116.9 150.4 52.5 40.2 54.4 13 66 A T E - B 0 24A 26 11,-2.0 11,-2.6 -2,-0.3 2,-0.3 -0.956 25.1-122.5-145.3 140.3 55.6 38.3 53.2 14 67 A L E - B 0 23A 69 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.601 24.7-177.7 -88.9 142.9 58.9 39.8 52.0 15 68 A E > - 0 0 15 7,-2.3 3,-2.0 -2,-0.3 4,-0.2 -0.798 14.1-165.2-144.3 98.4 60.2 38.9 48.6 16 69 A P G > S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.639 84.4 69.7 -60.3 -15.5 63.5 40.3 47.5 17 70 A R G 3 S+ 0 0 35 1,-0.2 110,-2.9 109,-0.2 108,-0.1 0.705 98.6 52.4 -74.0 -16.8 63.0 39.4 43.8 18 71 A M G X S+ 0 0 0 -3,-2.0 3,-1.2 4,-0.2 -1,-0.2 0.331 94.9 173.8-101.6 10.9 60.3 42.0 43.6 19 72 A A T < + 0 0 24 -3,-1.0 22,-0.1 1,-0.4 108,-0.1 -0.340 57.0 35.2 -64.4 148.3 62.4 44.9 45.1 20 73 A P T 3 S+ 0 0 91 0, 0.0 2,-1.1 0, 0.0 -1,-0.4 -0.954 134.2 35.6 -71.5 -10.9 62.1 47.7 45.5 21 74 A R S < S+ 0 0 128 -3,-1.2 20,-0.2 1,-0.2 -2,-0.1 -0.555 76.9 146.3-102.4 65.1 58.4 46.8 46.2 22 75 A S + 0 0 20 -2,-1.1 -7,-2.3 19,-0.2 2,-0.5 0.543 33.6 97.2 -80.0 -13.7 59.2 43.6 47.9 23 76 A W E -BC 14 40A 69 17,-2.1 17,-3.0 -9,-0.2 2,-0.5 -0.683 58.6-162.6 -84.7 119.0 56.5 43.4 50.5 24 77 A L E -BC 13 39A 0 -11,-2.6 -11,-2.0 -2,-0.5 2,-0.5 -0.937 7.1-152.8-106.6 125.6 53.7 41.2 49.0 25 78 A A E -BC 12 38A 1 13,-2.2 13,-1.7 -2,-0.5 2,-0.4 -0.929 19.2-168.9 -94.3 117.8 50.3 41.5 50.7 26 79 A V E -BC 11 37A 0 -15,-3.0 -15,-2.1 -2,-0.5 2,-0.4 -0.968 9.9-171.9-120.9 132.7 48.5 38.1 50.2 27 80 A T E -BC 10 36A 0 9,-2.6 9,-2.2 -2,-0.4 2,-0.5 -0.977 4.7-163.8-124.3 132.3 44.8 37.4 50.9 28 81 A V E -BC 9 35A 4 -19,-2.5 -19,-1.9 -2,-0.4 2,-0.9 -0.934 15.8-143.5-113.2 125.1 43.3 33.9 50.8 29 82 A D E >> -B 8 0A 19 5,-2.8 4,-2.8 -2,-0.5 3,-0.7 -0.850 13.6-157.7 -83.4 111.4 39.5 33.7 50.6 30 83 A T T 34 S+ 0 0 44 -23,-2.5 -1,-0.2 -2,-0.9 -22,-0.1 0.690 86.9 61.9 -69.7 -12.0 39.1 30.6 52.8 31 84 A A T 34 S+ 0 0 36 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.876 127.0 9.8 -75.0 -37.3 35.7 29.9 51.2 32 85 A S T <4 S- 0 0 71 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.483 91.9-124.5-120.4 -7.7 37.1 29.4 47.7 33 86 A S < + 0 0 60 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.0 0.475 56.7 155.7 67.1 6.4 40.9 29.3 48.2 34 87 A A - 0 0 23 -5,-0.4 -5,-2.8 -6,-0.1 2,-0.4 -0.286 31.2-146.4 -60.4 148.5 41.2 32.2 45.7 35 88 A I E -C 28 0A 10 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.969 14.9-169.2-121.5 141.6 44.3 34.3 46.2 36 89 A V E -C 27 0A 3 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.4 -0.998 11.0-174.9-131.9 128.8 44.8 38.0 45.7 37 90 A V E +C 26 0A 11 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.977 9.2 172.0-130.7 139.5 48.3 39.5 45.8 38 91 A T E -C 25 0A 25 -13,-1.7 -13,-2.2 -2,-0.4 2,-0.3 -0.917 25.0-126.2-137.2 159.7 49.6 43.1 45.6 39 92 A Q E -C 24 0A 11 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.907 23.8-178.5-109.3 148.3 53.1 44.6 46.0 40 93 A H E -C 23 0A 24 -17,-3.0 -17,-2.1 -2,-0.3 3,-0.1 -0.953 31.0-142.4-147.1 153.2 54.3 47.4 48.3 41 94 A G S S+ 0 0 46 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.830 91.7 22.1 -83.8 -29.2 57.5 49.3 49.1 42 95 A R S S- 0 0 169 -19,-0.1 2,-0.7 -21,-0.1 -1,-0.2 -0.955 74.7-123.1-141.7 147.8 56.7 49.5 52.8 43 96 A V + 0 0 20 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.882 56.0 142.0 -85.8 112.2 54.6 47.6 55.3 44 97 A T > - 0 0 61 -2,-0.7 4,-1.0 28,-0.1 28,-0.1 -0.827 65.7-101.2-139.3 178.6 52.3 50.4 56.7 45 98 A S H > S+ 0 0 23 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 0.899 122.8 53.2 -71.6 -39.7 48.6 50.5 57.7 46 99 A V H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.911 101.0 56.9 -62.8 -43.5 47.8 52.2 54.5 47 100 A A H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 107.6 52.3 -56.5 -33.8 49.5 49.5 52.3 48 101 A A H X S+ 0 0 2 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.870 110.8 46.3 -65.4 -45.3 47.2 47.0 54.1 49 102 A Q H X S+ 0 0 21 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.844 111.5 49.9 -68.6 -41.8 44.1 49.1 53.2 50 103 A H H X S+ 0 0 113 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.953 110.8 52.0 -61.6 -43.2 45.2 49.6 49.6 51 104 A H H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.935 112.6 44.6 -56.0 -47.3 45.7 45.8 49.4 52 105 A W H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.846 105.2 59.7 -71.1 -31.2 42.3 45.1 50.7 53 106 A A H X S+ 0 0 44 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.932 111.0 43.9 -59.5 -41.9 40.5 47.7 48.5 54 107 A T H X S+ 0 0 62 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.924 112.5 51.1 -66.1 -47.8 41.9 45.8 45.5 55 108 A A H X S+ 0 0 0 -4,-2.4 4,-4.1 1,-0.2 5,-0.5 0.890 109.4 52.7 -56.8 -38.7 41.0 42.4 47.1 56 109 A I H X S+ 0 0 14 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.969 106.9 49.9 -61.6 -51.1 37.5 43.7 47.6 57 110 A A H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 119.5 40.1 -58.1 -32.0 37.0 44.8 44.1 58 111 A V H < S+ 0 0 83 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.884 130.9 20.8 -85.0 -45.8 38.2 41.3 43.0 59 112 A L H < S- 0 0 47 -4,-4.1 -3,-0.2 1,-0.3 -2,-0.2 0.554 104.9-114.0-105.6 -5.0 36.5 39.0 45.5 60 113 A G < - 0 0 38 -4,-3.0 -1,-0.3 -5,-0.5 -2,-0.1 -0.318 53.7 -48.8 94.6 174.2 33.6 41.1 46.8 61 114 A R - 0 0 154 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.699 59.3-140.6 -83.5 131.9 33.4 42.3 50.5 62 115 A P - 0 0 5 0, 0.0 -55,-0.2 0, 0.0 26,-0.1 -0.398 13.5-128.8 -87.4 174.3 34.0 39.7 53.1 63 116 A K S S- 0 0 123 -57,-2.9 25,-2.4 1,-0.3 2,-0.3 0.878 89.8 -0.8 -86.5 -35.3 32.2 39.3 56.4 64 117 A A E -ad 7 88A 17 -58,-1.3 -56,-2.0 23,-0.2 2,-0.4 -0.998 59.3-145.2-151.6 152.9 35.4 39.1 58.3 65 118 A I E -ad 8 89A 0 23,-3.1 25,-1.8 -2,-0.3 2,-0.5 -0.923 13.7-153.1-122.7 136.3 39.1 39.3 57.8 66 119 A K E +ad 9 90A 68 -58,-2.7 -56,-2.0 -2,-0.4 2,-0.2 -0.973 26.4 156.2-110.4 121.5 41.6 37.3 60.0 67 120 A T - 0 0 0 23,-1.7 -56,-0.1 -2,-0.5 2,-0.1 -0.792 39.3-107.2-131.2 175.3 45.1 38.6 60.5 68 121 A D - 0 0 50 -58,-0.5 -1,-0.1 -2,-0.2 24,-0.1 -0.219 49.9 -87.6 -90.7-166.7 48.0 38.3 62.9 69 122 A N + 0 0 106 22,-0.1 5,-0.2 -2,-0.1 22,-0.1 0.228 69.3 146.7 -97.0 20.7 48.9 41.1 65.3 70 123 A G >> - 0 0 19 1,-0.2 3,-1.6 3,-0.1 4,-0.8 -0.168 59.7-118.3 -47.9 148.6 51.3 42.8 62.9 71 124 A S H 3> S+ 0 0 91 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.789 109.8 65.0 -65.7 -26.2 50.9 46.5 63.7 72 125 A X H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.646 107.7 43.4 -69.4 -12.3 49.7 47.5 60.2 73 126 A F H <4 S+ 0 0 1 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.593 117.3 44.3-102.6 -16.8 46.6 45.4 60.9 74 127 A T H < S+ 0 0 51 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.456 82.6 113.2-111.5 0.9 46.0 46.6 64.5 75 128 A S S X S- 0 0 33 -4,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.154 78.1-113.7 -67.3 160.5 46.5 50.4 64.2 76 129 A K H > S+ 0 0 149 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.853 115.7 61.7 -57.8 -39.2 43.5 52.7 64.7 77 130 A S H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.978 107.0 41.0 -57.7 -56.9 43.8 53.7 61.1 78 131 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.877 113.1 57.0 -63.9 -35.5 43.1 50.1 59.8 79 132 A R H X S+ 0 0 118 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.936 110.7 42.4 -59.6 -46.0 40.4 49.6 62.5 80 133 A E H X S+ 0 0 112 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.886 111.0 56.0 -66.3 -36.2 38.6 52.6 61.3 81 134 A W H X S+ 0 0 21 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.898 112.6 42.6 -61.1 -43.2 39.1 51.6 57.6 82 135 A L H X>S+ 0 0 4 -4,-2.2 5,-2.0 2,-0.2 4,-1.2 0.860 111.1 53.9 -71.2 -40.6 37.5 48.3 58.2 83 136 A A H ><5S+ 0 0 64 -4,-2.5 3,-1.0 -5,-0.2 -2,-0.2 0.950 106.3 55.6 -61.3 -42.4 34.7 49.7 60.4 84 137 A R H 3<5S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.894 111.2 42.7 -54.3 -42.8 33.9 52.1 57.4 85 138 A W H 3<5S- 0 0 80 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.642 113.1-117.7 -81.2 -14.8 33.5 49.1 55.1 86 139 A G T <<5 + 0 0 63 -4,-1.2 2,-0.4 -3,-1.0 -3,-0.2 0.663 63.6 147.0 85.2 20.1 31.5 47.1 57.6 87 140 A I < - 0 0 10 -5,-2.0 -1,-0.3 -6,-0.1 -23,-0.2 -0.769 41.4-139.4-100.0 126.0 34.1 44.3 57.8 88 141 A A E -d 64 0A 55 -25,-2.4 -23,-3.1 -2,-0.4 2,-0.4 -0.495 21.7-164.9 -76.2 155.1 34.7 42.3 61.0 89 142 A H E -d 65 0A 53 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.999 12.6-179.0-149.5 145.1 38.3 41.5 62.0 90 143 A T E -d 66 0A 62 -25,-1.8 -23,-1.7 -2,-0.4 3,-0.1 -0.991 25.6-156.5-145.0 142.3 40.0 39.2 64.4 91 144 A T - 0 0 40 1,-0.4 2,-0.3 -2,-0.3 5,-0.2 0.295 51.7-130.9 -96.8 8.9 43.7 38.5 65.3 92 145 A G - 0 0 26 -24,-0.1 -1,-0.4 2,-0.1 7,-0.1 -0.590 51.0 -20.4 84.1-141.6 42.6 35.1 66.5 93 146 A I S > S- 0 0 109 -2,-0.3 3,-0.6 -3,-0.1 2,-0.2 -0.899 79.8 -89.5-108.3 136.0 43.6 33.6 70.0 94 147 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.187 120.7 10.5 -47.8 104.1 46.6 34.9 72.0 95 148 A G T 3 S- 0 0 75 -2,-0.2 3,-0.1 2,-0.0 -3,-0.1 0.880 87.9-165.2 83.4 47.9 49.5 32.8 70.7 96 149 A N < - 0 0 43 -3,-0.6 2,-1.4 -5,-0.2 -4,-0.0 0.810 4.8-171.4 -28.5 -60.9 47.2 31.4 67.9 97 150 A S + 0 0 108 -4,-0.0 -1,-0.2 2,-0.0 3,-0.1 -0.690 66.3 5.1 94.8 -75.6 49.5 28.5 67.1 98 151 A Q S S+ 0 0 150 -2,-1.4 -3,-0.0 -3,-0.1 -1,-0.0 -0.141 87.4 90.0-114.6-155.5 47.6 27.5 63.9 99 152 A G S S+ 0 0 33 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.656 80.8 70.4 70.6 21.7 44.7 29.1 62.1 100 153 A Q > + 0 0 13 -3,-0.1 4,-2.4 -91,-0.1 5,-0.2 -0.094 68.7 116.6-143.7 10.2 46.6 31.4 59.7 101 154 A A H > + 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.809 64.7 53.0 -61.3 -41.3 47.7 28.2 57.9 102 155 A M H > S+ 0 0 46 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.957 113.6 45.4 -62.1 -46.8 46.0 28.7 54.5 103 156 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.889 112.9 49.9 -63.4 -37.3 47.6 32.1 54.2 104 157 A E H X S+ 0 0 75 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.900 114.2 45.5 -66.6 -42.4 51.0 30.8 55.4 105 158 A R H X S+ 0 0 135 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.957 111.0 53.1 -63.3 -48.6 50.8 28.0 52.9 106 159 A A H X S+ 0 0 4 -4,-3.7 4,-2.2 1,-0.2 -2,-0.2 0.842 105.3 55.2 -53.7 -35.3 49.7 30.4 50.1 107 160 A N H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.881 109.7 46.5 -63.6 -45.0 52.7 32.7 50.8 108 161 A R H X S+ 0 0 164 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.983 114.5 45.3 -66.2 -51.9 55.1 29.7 50.3 109 162 A L H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.873 113.0 52.3 -55.6 -44.2 53.4 28.5 47.0 110 163 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.957 109.0 49.1 -55.8 -48.0 53.2 32.0 45.8 111 164 A K H X S+ 0 0 71 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.783 111.5 49.1 -67.0 -24.7 57.0 32.5 46.4 112 165 A D H X S+ 0 0 84 -4,-1.6 4,-3.4 2,-0.2 5,-0.2 0.879 110.0 50.1 -83.6 -34.0 57.9 29.3 44.6 113 166 A K H X S+ 0 0 76 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.914 110.6 51.3 -68.0 -38.4 55.8 30.1 41.5 114 167 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.969 113.9 44.3 -59.9 -52.2 57.4 33.6 41.4 115 168 A R H X S+ 0 0 91 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.927 115.4 45.7 -60.6 -49.4 60.9 31.9 41.5 116 169 A V H X S+ 0 0 58 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.896 117.9 44.1 -66.6 -32.5 60.1 29.2 39.0 117 170 A L H X S+ 0 0 40 -4,-2.8 4,-1.2 -5,-0.2 -2,-0.2 0.912 114.6 48.9 -74.8 -34.7 58.4 31.7 36.6 118 171 A A H ><>S+ 0 0 0 -4,-3.0 5,-2.4 -5,-0.3 3,-0.6 0.933 112.0 47.7 -67.5 -50.9 61.2 34.3 37.0 119 172 A E H ><5S+ 0 0 70 -4,-2.4 3,-1.9 -5,-0.3 -1,-0.2 0.883 103.8 63.0 -60.9 -32.9 63.9 31.8 36.5 120 173 A G H 3<5S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.2 47.5 -58.1 -35.5 62.0 30.6 33.4 121 174 A D T <<5S- 0 0 85 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.331 127.0 -99.5 -87.3 6.9 62.5 34.0 31.9 122 175 A G T < 5S+ 0 0 47 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.667 82.6 128.1 88.7 13.8 66.1 34.1 32.7 123 176 A F < + 0 0 44 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.878 23.0 168.3-108.4 106.2 66.0 36.2 35.9 124 177 A M S S+ 0 0 108 -2,-0.7 -1,-0.1 2,-0.1 2,-0.1 0.445 71.6 18.8 -93.9 0.6 67.9 34.4 38.7 125 178 A K S S- 0 0 147 1,-0.4 2,-0.2 -108,-0.1 -2,-0.1 -0.083 123.1 -1.0-134.4-123.0 68.0 37.3 41.1 126 179 A R S S- 0 0 111 -2,-0.1 -1,-0.4 1,-0.1 -109,-0.2 -0.472 71.8-125.8 -75.9 140.2 65.9 40.4 41.3 127 180 A I - 0 0 0 -110,-2.9 5,-0.1 -2,-0.2 -1,-0.1 -0.676 35.4 -97.8 -86.5 140.5 63.4 40.7 38.5 128 181 A P >> - 0 0 39 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.272 32.2-120.3 -51.9 137.6 63.7 43.9 36.5 129 182 A T H 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.793 110.7 57.8 -53.5 -32.1 61.1 46.5 37.8 130 183 A S H 34 S+ 0 0 103 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.757 108.0 45.4 -74.5 -22.3 59.4 46.7 34.4 131 184 A K H <> S+ 0 0 95 -3,-1.9 4,-2.0 1,-0.1 -1,-0.2 0.499 92.1 84.9 -94.4 -12.6 58.7 42.9 34.3 132 185 A Q H X S+ 0 0 3 -4,-0.9 4,-3.8 -3,-0.4 5,-0.3 0.905 82.6 53.8 -59.5 -51.8 57.4 42.6 37.9 133 186 A G H X S+ 0 0 44 -4,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.943 114.0 41.2 -52.7 -54.1 53.7 43.5 37.4 134 187 A E H > S+ 0 0 164 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.835 115.4 52.5 -65.2 -34.6 53.1 41.0 34.7 135 188 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.923 110.5 46.3 -70.4 -40.1 55.1 38.5 36.5 136 189 A L H X S+ 0 0 13 -4,-3.8 4,-2.0 1,-0.2 5,-0.2 0.939 112.7 51.1 -63.5 -44.2 53.2 38.9 39.7 137 190 A A H X S+ 0 0 61 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.906 109.5 51.4 -55.6 -43.5 49.9 38.8 37.7 138 191 A K H X S+ 0 0 85 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.862 107.0 51.7 -60.5 -46.1 51.1 35.6 36.0 139 192 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.877 111.9 48.1 -60.8 -41.0 51.9 33.9 39.4 140 193 A M H X S+ 0 0 43 -4,-2.0 4,-1.1 2,-0.2 5,-0.2 0.852 110.4 50.0 -66.2 -41.4 48.4 34.8 40.7 141 194 A Y H >X S+ 0 0 155 -4,-2.0 4,-2.6 -5,-0.2 3,-0.7 0.955 110.7 52.3 -62.3 -48.0 46.7 33.5 37.5 142 195 A A H 3< S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.4 44.5 -59.8 -39.6 48.7 30.3 37.9 143 196 A L H 3< S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.643 122.3 36.1 -79.9 -14.7 47.6 29.7 41.5 144 197 A N H << S+ 0 0 45 -4,-1.1 2,-0.6 -3,-0.7 -2,-0.2 0.703 106.9 69.4-104.8 -31.9 43.9 30.5 41.0 145 198 A H < 0 0 138 -4,-2.6 -1,-0.1 -5,-0.2 -4,-0.0 -0.843 360.0 360.0-121.4 121.0 43.2 29.1 37.6 146 199 A F 0 0 211 -2,-0.6 -1,-0.1 -3,-0.1 -2,-0.1 0.166 360.0 360.0-135.5 360.0 43.1 25.6 36.4