==== 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 30-AUG-99 1CXQ . COMPND 2 MOLECULE: AVIAN SARCOMA VIRUS INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR J.LUBKOWSKI,Z.DAUTER,F.YANG,J.ALEXANDRATOS,G.MERKEL,A.M.SKAL . 143 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.5 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 . 9 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 38.5 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 52 A G 0 0 132 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 131.7 22.8 32.8 47.1 2 53 A R > + 0 0 117 1,-0.2 3,-2.4 2,-0.1 2,-0.3 0.936 360.0 165.5 -68.1 -42.9 25.0 31.2 49.6 3 54 A G T 3 S- 0 0 58 1,-0.3 -1,-0.2 2,-0.0 0, 0.0 -0.481 78.1 -21.5 60.6-120.1 22.4 28.7 50.8 4 55 A L T 3 S+ 0 0 178 -2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.291 110.5 121.7 -97.3 8.8 24.4 26.1 52.8 5 56 A G S < S- 0 0 26 -3,-2.4 -3,-0.1 1,-0.2 -2,-0.0 0.007 74.2 -61.1 -70.3 175.7 27.6 26.9 51.0 6 57 A P - 0 0 80 0, 0.0 -1,-0.2 0, 0.0 27,-0.1 -0.211 59.6-100.6 -61.4 146.3 30.9 28.0 52.8 7 58 A L - 0 0 104 1,-0.1 2,-1.9 -3,-0.1 26,-0.0 -0.330 35.1-107.8 -67.1 150.9 30.9 31.2 54.8 8 59 A Q + 0 0 69 24,-0.1 57,-2.2 25,-0.1 58,-1.5 -0.542 66.3 143.2 -86.8 73.4 32.4 34.3 53.1 9 60 A I E -a 66 0A 54 -2,-1.9 23,-2.2 56,-0.2 24,-0.4 -0.973 29.9-164.2-122.3 128.5 35.6 34.5 55.2 10 61 A W E -aB 67 31A 5 56,-2.4 58,-2.8 -2,-0.4 2,-0.4 -0.757 11.3-148.0-103.5 159.8 39.0 35.5 53.9 11 62 A Q E -aB 68 30A 21 19,-2.3 19,-2.7 -2,-0.3 2,-0.4 -0.995 21.0-171.6-118.9 136.0 42.5 35.1 55.4 12 63 A T E + B 0 29A 1 56,-2.3 58,-0.4 -2,-0.4 2,-0.3 -0.977 11.9 156.5-130.9 141.9 45.0 37.9 54.6 13 64 A D E - B 0 28A 23 15,-2.4 15,-3.0 -2,-0.4 2,-0.4 -0.949 34.1-122.6-149.5 165.4 48.8 38.1 55.2 14 65 A F E - B 0 27A 17 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.951 25.5-174.7-108.5 141.2 51.9 39.9 53.9 15 66 A T E - B 0 26A 14 11,-2.5 11,-2.9 -2,-0.4 2,-0.5 -1.000 23.2-126.5-138.4 136.2 54.9 37.9 52.7 16 67 A L E + B 0 25A 83 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.701 27.4 176.9 -90.0 125.2 58.2 39.3 51.6 17 68 A E > - 0 0 15 7,-3.0 3,-2.5 -2,-0.5 4,-0.1 -0.836 13.9-169.1-131.2 92.1 59.4 38.3 48.1 18 69 A P G > S+ 0 0 83 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.705 83.2 74.0 -58.1 -19.7 62.7 39.9 47.0 19 70 A R G 3 S+ 0 0 44 1,-0.3 107,-2.6 106,-0.2 105,-0.1 0.739 99.6 48.5 -61.2 -21.4 62.2 38.7 43.5 20 71 A M G X S+ 0 0 0 -3,-2.5 3,-0.8 105,-0.2 -1,-0.3 0.205 96.6 173.1-102.5 10.7 59.6 41.4 43.3 21 72 A A T < + 0 0 25 -3,-1.7 22,-0.1 1,-0.3 105,-0.0 -0.335 55.8 33.8 -62.4 148.2 61.7 44.3 44.7 22 73 A P T 3 S+ 0 0 88 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 -0.962 135.5 35.2 -75.3 -20.7 61.4 47.2 45.1 23 74 A R S < S+ 0 0 129 -3,-0.8 20,-0.2 1,-0.2 19,-0.2 -0.461 80.1 145.0 -90.7 66.0 57.7 46.4 45.7 24 75 A S + 0 0 19 -2,-1.6 -7,-3.0 19,-0.2 2,-0.8 0.524 33.8 98.3 -86.6 -6.7 58.7 43.1 47.4 25 76 A W E -BC 16 42A 67 17,-2.2 17,-2.1 -3,-0.2 2,-0.6 -0.754 59.7-160.7 -85.2 115.5 55.9 43.0 50.0 26 77 A L E -BC 15 41A 0 -11,-2.9 -11,-2.5 -2,-0.8 2,-0.5 -0.849 5.8-153.9 -97.3 120.8 53.1 40.8 48.6 27 78 A A E -BC 14 40A 0 13,-2.6 13,-2.0 -2,-0.6 2,-0.4 -0.864 20.5-168.4 -90.4 125.5 49.7 41.2 50.2 28 79 A V E -BC 13 39A 0 -15,-3.0 -15,-2.4 -2,-0.5 2,-0.4 -0.976 13.4-176.0-126.6 123.9 47.9 37.9 49.8 29 80 A T E -BC 12 38A 0 9,-2.6 9,-2.4 -2,-0.4 2,-0.4 -0.980 5.3-166.0-115.2 135.2 44.2 37.1 50.4 30 81 A V E -BC 11 37A 4 -19,-2.7 -19,-2.3 -2,-0.4 2,-0.8 -0.980 18.5-137.9-114.5 129.7 42.8 33.6 50.2 31 82 A D E >> -B 10 0A 22 5,-2.8 4,-2.8 -2,-0.4 3,-0.5 -0.784 11.4-155.5 -79.7 114.8 39.0 33.3 50.0 32 83 A T T 34 S+ 0 0 38 -23,-2.2 -1,-0.2 -2,-0.8 -22,-0.1 0.714 88.7 59.7 -69.7 -18.0 38.4 30.3 52.4 33 84 A A T 34 S+ 0 0 34 -24,-0.4 -1,-0.2 1,-0.1 -25,-0.1 0.851 127.0 9.9 -74.5 -37.6 35.1 29.5 50.5 34 85 A S T <4 S- 0 0 72 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.547 91.8-123.2-117.7 -16.7 36.7 29.0 47.1 35 86 A S < + 0 0 60 -4,-2.8 -3,-0.1 1,-0.3 2,-0.0 0.412 59.4 150.4 73.1 9.3 40.5 28.9 47.7 36 87 A A - 0 0 19 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.4 -0.343 33.6-146.9 -64.7 146.8 40.9 31.8 45.2 37 88 A I E -C 30 0A 8 -7,-0.2 2,-0.4 102,-0.2 -7,-0.2 -0.907 14.3-165.9-118.5 143.5 43.8 34.1 45.8 38 89 A V E -C 29 0A 2 -9,-2.4 -9,-2.6 -2,-0.4 2,-0.4 -0.999 14.7-176.7-120.5 133.0 44.3 37.8 45.3 39 90 A V E +C 28 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.987 7.5 174.9-131.7 137.7 47.8 39.2 45.4 40 91 A T E -C 27 0A 24 -13,-2.0 -13,-2.6 -2,-0.4 2,-0.3 -0.950 24.2-128.4-131.2 154.9 49.1 42.7 45.1 41 92 A Q E -C 26 0A 14 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.823 24.3-177.1-111.9 151.1 52.6 44.1 45.6 42 93 A H E -C 25 0A 23 -17,-2.1 -17,-2.2 -2,-0.3 3,-0.1 -0.987 31.7-136.6-143.5 146.3 53.6 47.0 47.7 43 94 A G S S+ 0 0 36 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.791 91.7 22.2 -75.2 -31.1 56.8 48.9 48.5 44 95 A R S S- 0 0 190 -19,-0.1 2,-0.8 -21,-0.1 -1,-0.2 -0.995 77.4-117.5-139.4 148.0 56.2 49.0 52.3 45 96 A V + 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.728 60.4 140.0 -86.0 106.4 54.2 47.0 54.8 46 97 A T > - 0 0 61 -2,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.952 66.6-104.9-142.2 163.6 51.7 49.6 56.1 47 98 A S H > S+ 0 0 24 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.912 121.4 51.0 -55.4 -47.7 48.1 49.9 57.1 48 99 A V H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.880 105.8 55.7 -66.5 -32.8 47.3 51.8 53.9 49 100 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 107.7 49.4 -61.7 -43.4 49.0 49.0 51.8 50 101 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.910 112.1 48.6 -57.8 -43.1 46.6 46.5 53.5 51 102 A Q H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 110.5 49.7 -64.9 -44.7 43.6 48.7 52.7 52 103 A H H X S+ 0 0 117 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.917 111.6 50.6 -59.0 -43.0 44.7 49.2 49.1 53 104 A H H X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.946 111.0 46.7 -58.3 -51.8 45.1 45.4 48.8 54 105 A W H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.860 105.8 59.5 -64.2 -34.7 41.6 44.7 50.2 55 106 A A H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.941 110.9 42.3 -56.3 -46.3 40.1 47.3 48.0 56 107 A T H X S+ 0 0 67 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.918 112.2 53.6 -64.8 -43.0 41.4 45.3 45.0 57 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.897 107.1 51.9 -61.3 -37.5 40.4 42.0 46.6 58 109 A I H X S+ 0 0 16 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.904 107.0 53.4 -64.3 -41.3 36.8 43.3 47.1 59 110 A A H < S+ 0 0 88 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.873 119.0 35.9 -58.5 -38.1 36.7 44.2 43.4 60 111 A V H < S+ 0 0 81 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.919 133.2 20.9 -80.7 -50.0 37.8 40.7 42.4 61 112 A L H < S- 0 0 52 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.546 103.3-114.4-100.6 -15.8 36.0 38.5 45.0 62 113 A G < - 0 0 34 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.1 -0.318 53.4 -45.0 95.2 174.7 33.2 40.6 46.4 63 114 A R - 0 0 143 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.707 61.8-143.1 -83.7 121.1 32.7 41.9 49.8 64 115 A P - 0 0 4 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.394 12.6-133.4 -78.7 162.0 33.5 39.3 52.5 65 116 A K S S+ 0 0 131 -57,-2.2 25,-2.2 1,-0.3 2,-0.3 0.811 87.1 1.4 -77.0 -34.4 31.6 38.9 55.7 66 117 A A E -ad 9 90A 19 -58,-1.5 -56,-2.4 23,-0.2 2,-0.4 -0.995 58.5-149.5-154.4 155.3 34.8 38.6 57.7 67 118 A I E -ad 10 91A 0 23,-2.3 25,-2.3 -2,-0.3 2,-0.5 -0.999 10.4-153.0-129.7 131.7 38.6 38.7 57.3 68 119 A K E +ad 11 92A 27 -58,-2.8 -56,-2.3 -2,-0.4 2,-0.3 -0.887 27.1 154.2-100.1 131.1 41.1 36.8 59.5 69 120 A T - 0 0 0 23,-2.0 -56,-0.1 -2,-0.5 2,-0.1 -0.876 41.6-100.4-137.0 178.1 44.6 38.2 59.9 70 121 A D - 0 0 67 -58,-0.4 24,-0.1 -2,-0.3 -1,-0.1 -0.193 48.2 -91.1 -86.8-174.6 47.4 38.0 62.5 71 122 A N S S+ 0 0 105 22,-0.1 5,-0.1 4,-0.1 22,-0.1 0.098 70.3 145.3 -92.6 27.9 48.1 40.8 65.0 72 123 A G >> - 0 0 26 1,-0.1 3,-2.2 3,-0.1 4,-1.7 -0.283 62.1-113.4 -63.1 152.1 50.6 42.7 62.8 73 124 A S H 3> S+ 0 0 100 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.792 114.3 62.4 -61.7 -29.6 50.4 46.5 63.3 74 125 A C H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.699 112.0 38.9 -68.9 -17.9 49.1 47.1 59.7 75 126 A F H <4 S+ 0 0 2 -3,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.711 118.4 44.1-102.8 -23.3 46.0 45.0 60.6 76 127 A T H < S+ 0 0 54 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.383 84.8 118.1-106.1 4.3 45.4 46.2 64.2 77 128 A S S X S- 0 0 28 -4,-1.0 4,-2.6 -5,-0.2 5,-0.2 -0.230 76.2-115.8 -63.5 156.8 45.9 49.9 63.7 78 129 A K H > S+ 0 0 188 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 116.8 56.0 -57.5 -41.4 43.1 52.4 64.2 79 130 A S H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 110.1 42.6 -58.1 -50.0 43.2 53.2 60.6 80 131 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 112.4 53.4 -66.6 -41.3 42.7 49.6 59.5 81 132 A R H X S+ 0 0 165 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 111.4 46.6 -58.7 -40.9 40.0 49.0 62.0 82 133 A E H X S+ 0 0 118 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.898 110.1 52.9 -67.4 -39.4 38.1 52.1 60.8 83 134 A W H X S+ 0 0 16 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.932 110.9 46.5 -63.3 -43.8 38.5 51.1 57.1 84 135 A L H X>S+ 0 0 3 -4,-2.6 5,-2.4 1,-0.2 4,-0.6 0.903 111.6 51.5 -66.7 -37.9 37.1 47.7 57.7 85 136 A A H ><5S+ 0 0 66 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.902 105.1 56.7 -64.4 -39.3 34.2 49.2 59.8 86 137 A R H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.0 42.7 -55.7 -39.3 33.5 51.6 56.8 87 138 A W H 3<5S- 0 0 82 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.525 111.7-121.6 -83.3 -10.8 33.1 48.5 54.6 88 139 A G T <<5 + 0 0 62 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.820 61.5 146.8 69.1 33.4 31.1 46.6 57.2 89 140 A I < - 0 0 10 -5,-2.4 -1,-0.2 -6,-0.1 -23,-0.2 -0.905 46.3-130.8-104.5 124.2 33.6 43.7 57.3 90 141 A A E -d 66 0A 58 -25,-2.2 -23,-2.3 -2,-0.5 2,-0.4 -0.472 22.5-154.6 -70.5 146.2 34.1 41.8 60.5 91 142 A H E +d 67 0A 51 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.983 14.7 176.8-129.0 132.5 37.8 41.4 61.5 92 143 A T E -d 68 0A 66 -25,-2.3 -23,-2.0 -2,-0.4 3,-0.1 -0.987 23.3-171.4-130.7 145.4 39.3 38.7 63.7 93 144 A T - 0 0 40 1,-0.4 -22,-0.1 -2,-0.4 2,-0.1 0.252 51.6-126.9-112.8 10.8 42.9 38.0 64.6 94 145 A G - 0 0 31 -24,-0.1 -1,-0.4 4,-0.0 -24,-0.0 -0.423 53.0 -13.0 87.5-155.0 41.9 34.7 66.2 95 146 A I 0 0 168 -2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.730 360.0 360.0 -90.4 123.1 42.4 33.1 69.6 96 147 A P 0 0 164 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.003 360.0 360.0 -66.0 360.0 45.0 35.0 71.7 97 ! 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 98 152 A G 0 0 104 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 11.7 44.3 29.6 62.5 99 153 A Q > + 0 0 11 2,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.256 360.0 140.1-145.5 51.8 45.3 30.8 59.0 100 154 A A H > + 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.823 69.5 62.8 -59.6 -34.1 46.9 27.7 57.5 101 155 A M H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 105.3 43.4 -65.9 -42.5 45.2 28.5 54.2 102 156 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 111.1 55.7 -71.4 -31.9 46.9 31.8 53.7 103 157 A E H X S+ 0 0 118 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.924 110.0 46.8 -63.2 -40.2 50.3 30.3 54.8 104 158 A R H X S+ 0 0 137 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.917 110.7 52.2 -63.8 -43.6 49.8 27.7 52.1 105 159 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.898 106.8 53.4 -58.8 -43.1 48.9 30.4 49.6 106 160 A N H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.927 112.3 44.3 -57.0 -46.2 52.0 32.3 50.4 107 161 A R H X S+ 0 0 133 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.932 114.0 48.4 -67.3 -46.1 54.2 29.3 49.8 108 162 A L H X S+ 0 0 43 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.898 113.8 48.7 -61.2 -39.9 52.4 28.3 46.5 109 163 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.940 111.7 46.2 -67.6 -47.4 52.7 31.8 45.3 110 164 A K H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 114.2 49.9 -63.9 -38.6 56.4 32.3 46.0 111 165 A D H X S+ 0 0 89 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.932 112.6 46.7 -62.5 -44.1 57.1 28.9 44.5 112 166 A K H X S+ 0 0 71 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.906 109.9 53.2 -64.2 -42.0 55.1 29.8 41.3 113 167 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.935 110.5 48.5 -56.1 -47.3 56.8 33.2 41.1 114 168 A R H X S+ 0 0 127 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.935 112.1 47.6 -59.5 -48.7 60.2 31.5 41.2 115 169 A V H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 115.3 44.9 -59.3 -47.1 59.2 28.9 38.5 116 170 A L H X S+ 0 0 34 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.924 114.5 49.1 -64.6 -44.2 57.8 31.5 36.2 117 171 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 -5,-0.3 3,-0.5 0.949 112.1 46.8 -60.5 -50.6 60.7 33.9 36.7 118 172 A E H ><5S+ 0 0 63 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.895 107.6 58.5 -61.4 -36.5 63.3 31.2 36.1 119 173 A G H 3<5S+ 0 0 66 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.865 106.3 48.4 -57.1 -36.9 61.3 30.1 33.0 120 174 A D T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.372 127.3-102.5 -83.9 3.3 61.8 33.6 31.7 121 175 A G T < 5S+ 0 0 54 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.552 80.5 133.5 86.7 11.4 65.5 33.5 32.5 122 176 A F < + 0 0 48 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.823 21.6 168.8 -98.1 101.9 65.3 35.6 35.6 123 177 A M S S+ 0 0 107 -2,-0.9 -1,-0.2 2,-0.1 -5,-0.1 0.572 71.9 14.1 -91.4 -10.4 67.4 33.7 38.2 124 178 A K S S+ 0 0 170 1,-0.4 2,-0.2 -7,-0.1 -2,-0.1 0.037 123.6 3.2-130.9-120.1 67.4 36.5 40.8 125 179 A R S S- 0 0 118 1,-0.1 -1,-0.4 -2,-0.1 -106,-0.2 -0.477 72.7-121.8 -75.7 141.4 65.3 39.7 40.9 126 180 A I - 0 0 0 -107,-2.6 5,-0.1 -2,-0.2 -1,-0.1 -0.654 37.5-100.9 -76.7 131.4 62.6 40.0 38.2 127 181 A P >> - 0 0 45 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.263 32.4-120.0 -51.8 139.3 63.2 43.2 36.1 128 182 A T H >> S+ 0 0 78 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.848 110.6 56.7 -54.6 -40.8 60.7 45.8 37.3 129 183 A S H 34 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.589 109.8 46.2 -68.5 -11.3 59.0 46.2 34.0 130 184 A K H <> S+ 0 0 117 -3,-2.3 4,-1.7 2,-0.1 -1,-0.3 0.495 90.9 84.9-104.6 -10.3 58.2 42.4 33.9 131 185 A Q H S+ 0 0 168 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 114.8 52.5 -69.0 -33.6 52.5 40.5 34.3 134 188 A L H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 110.2 47.8 -67.1 -43.0 54.5 37.8 36.1 135 189 A L H X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.924 112.3 49.5 -61.3 -44.3 52.6 38.4 39.3 136 190 A A H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.878 109.0 53.2 -61.9 -37.2 49.3 38.3 37.4 137 191 A K H X S+ 0 0 92 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.894 108.3 49.9 -63.9 -40.4 50.4 35.1 35.7 138 192 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.909 111.2 48.7 -64.1 -43.4 51.2 33.5 39.1 139 193 A M H X S+ 0 0 36 -4,-2.3 4,-1.6 1,-0.2 -102,-0.2 0.926 112.7 48.3 -61.9 -46.9 47.7 34.5 40.4 140 194 A Y H X S+ 0 0 145 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.932 109.1 54.2 -53.7 -47.2 46.1 33.1 37.2 141 195 A A H < S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 113.3 41.0 -60.7 -38.2 48.1 29.9 37.6 142 196 A L H < S+ 0 0 48 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.711 122.5 38.9 -83.6 -23.6 46.9 29.3 41.1 143 197 A N H < 0 0 43 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.741 360.0 360.0 -96.7 -34.0 43.2 30.3 40.6 144 198 A H < 0 0 170 -4,-2.5 -1,-0.2 -5,-0.2 0, 0.0 -0.932 360.0 360.0-113.8 360.0 42.1 29.1 37.1