==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 27-JUL-10 3O4Q . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR A.BALLANDRAS,X.ROBERT,P.GOUET . 137 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.9 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 0 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 55 A L 0 0 235 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.9 24.4 26.4 51.8 2 56 A G - 0 0 58 1,-0.1 3,-0.1 3,-0.0 28,-0.0 0.019 360.0 -60.7 -67.4 172.2 27.7 27.1 50.1 3 57 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.161 63.6 -95.2 -56.4 148.3 30.9 28.0 52.1 4 58 A L - 0 0 131 1,-0.1 2,-1.8 -3,-0.1 26,-0.2 -0.283 36.9-108.4 -62.7 155.3 30.9 31.2 54.2 5 59 A Q + 0 0 110 -3,-0.1 57,-2.3 24,-0.1 58,-1.7 -0.524 67.7 140.7 -91.2 73.3 32.3 34.4 52.6 6 60 A I E -a 63 0A 37 -2,-1.8 23,-2.6 56,-0.2 24,-0.5 -0.975 31.1-165.6-125.3 130.0 35.5 34.6 54.7 7 61 A W E -aB 64 28A 7 56,-2.4 58,-3.0 -2,-0.4 2,-0.4 -0.788 11.7-149.3-107.4 159.8 39.0 35.6 53.5 8 62 A Q E -aB 65 27A 18 19,-2.3 19,-2.8 -2,-0.3 2,-0.4 -0.994 20.6-171.4-119.7 139.2 42.5 35.2 55.0 9 63 A T E + B 0 26A 0 56,-2.5 58,-0.5 -2,-0.4 2,-0.3 -0.969 11.9 157.4-132.6 141.9 45.0 37.9 54.2 10 64 A D E - B 0 25A 25 15,-2.5 15,-3.1 -2,-0.4 2,-0.4 -0.952 33.8-121.0-149.0 164.7 48.7 38.2 54.8 11 65 A F E - B 0 24A 16 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.940 26.4-174.6-106.8 143.5 51.9 39.9 53.5 12 66 A T E - B 0 23A 14 11,-2.7 11,-2.9 -2,-0.4 2,-0.5 -1.000 22.9-125.2-139.3 137.1 54.8 38.0 52.2 13 67 A L E + B 0 22A 82 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.710 27.4 176.4 -87.6 128.1 58.2 39.3 51.1 14 68 A E > - 0 0 15 7,-3.1 3,-2.7 -2,-0.5 4,-0.1 -0.814 13.3-170.6-133.4 93.1 59.3 38.3 47.6 15 69 A P G > S+ 0 0 83 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.698 82.7 73.6 -59.2 -19.6 62.6 39.9 46.5 16 70 A R G 3 S+ 0 0 57 1,-0.3 103,-2.7 102,-0.2 101,-0.1 0.768 100.2 48.3 -61.2 -18.7 62.1 38.6 42.9 17 71 A M G X S+ 0 0 0 -3,-2.7 3,-0.7 101,-0.2 -1,-0.3 0.182 97.3 173.7-106.9 17.1 59.5 41.4 42.7 18 72 A A T < + 0 0 25 -3,-1.7 106,-0.1 1,-0.3 22,-0.1 -0.330 55.6 32.3 -70.8 150.5 61.6 44.2 44.2 19 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 -0.965 136.1 35.0 -76.0 -20.6 61.3 47.1 44.6 20 74 A R S < S+ 0 0 119 -3,-0.7 19,-0.3 1,-0.2 20,-0.2 -0.412 80.5 141.0 -87.2 65.3 57.6 46.4 45.1 21 75 A S + 0 0 18 -2,-1.6 -7,-3.1 19,-0.2 2,-0.9 0.465 32.5 100.0 -93.4 -2.5 58.5 43.1 46.8 22 76 A W E -BC 13 39A 76 17,-2.3 17,-1.9 -3,-0.2 2,-0.6 -0.774 59.8-162.2 -81.5 107.1 55.8 43.2 49.5 23 77 A L E -BC 12 38A 0 -11,-2.9 -11,-2.7 -2,-0.9 2,-0.5 -0.825 7.2-153.8 -93.3 124.3 53.1 40.9 48.2 24 78 A A E -BC 11 37A 0 13,-2.6 13,-2.1 -2,-0.6 2,-0.5 -0.873 19.5-168.1 -94.1 129.2 49.7 41.2 49.8 25 79 A V E -BC 10 36A 0 -15,-3.1 -15,-2.5 -2,-0.5 2,-0.4 -0.979 13.5-176.6-128.1 124.7 47.9 37.9 49.4 26 80 A T E -BC 9 35A 0 9,-2.8 9,-2.5 -2,-0.5 2,-0.5 -0.986 6.0-165.4-115.2 135.6 44.2 37.1 50.1 27 81 A V E -BC 8 34A 4 -19,-2.8 -19,-2.3 -2,-0.4 2,-0.7 -0.979 19.5-135.2-117.6 133.1 42.8 33.7 49.8 28 82 A D E > -B 7 0A 22 5,-2.9 4,-2.4 -2,-0.5 -21,-0.2 -0.774 11.5-153.1 -79.3 115.9 39.0 33.2 49.6 29 83 A T T 4 S+ 0 0 40 -23,-2.6 -1,-0.2 -2,-0.7 -22,-0.1 0.800 90.4 57.8 -67.7 -16.8 38.4 30.3 52.1 30 84 A A T 4 S+ 0 0 35 -24,-0.5 -1,-0.2 -26,-0.2 -25,-0.1 0.964 126.2 11.0 -72.9 -56.1 35.2 29.4 50.0 31 85 A S T 4 S- 0 0 70 2,-0.1 -2,-0.2 -28,-0.0 -1,-0.2 0.520 92.4-123.5-101.6 -14.5 36.7 28.9 46.6 32 86 A S < + 0 0 65 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.454 58.4 153.4 71.4 4.9 40.5 28.8 47.4 33 87 A A - 0 0 19 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.4 -0.363 32.8-145.8 -63.4 147.6 40.9 31.7 44.8 34 88 A I E -C 27 0A 8 98,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.859 14.1-166.9-116.6 138.8 43.8 33.9 45.5 35 89 A V E -C 26 0A 1 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.4 -1.000 14.2-179.2-118.7 132.4 44.2 37.7 44.9 36 90 A V E +C 25 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.986 6.6 177.0-133.5 137.3 47.8 39.1 45.1 37 91 A T E -C 24 0A 21 -13,-2.1 -13,-2.6 -2,-0.4 2,-0.3 -0.948 25.1-124.0-129.6 157.4 49.0 42.7 44.7 38 92 A Q E -C 23 0A 31 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.827 26.7-179.8-107.6 149.5 52.5 44.1 45.0 39 93 A H E -C 22 0A 11 -17,-1.9 -17,-2.3 -2,-0.3 3,-0.1 -0.978 32.0-140.1-144.6 144.6 53.6 47.0 47.3 40 94 A G S S+ 0 0 28 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.657 91.0 19.0 -83.5 -11.9 56.8 48.8 48.0 41 95 A R S S- 0 0 194 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.1 -0.986 76.7-116.5-151.0 153.6 56.1 49.0 51.8 42 96 A V + 0 0 32 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.856 57.7 140.4 -95.4 105.5 53.9 47.2 54.3 43 97 A T > - 0 0 63 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.887 67.3-102.4-138.6 165.4 51.6 49.8 55.6 44 98 A S H > S+ 0 0 25 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.926 123.8 52.2 -55.3 -45.4 47.9 50.1 56.6 45 99 A V H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.885 105.2 55.4 -62.8 -38.6 47.2 51.9 53.3 46 100 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.936 108.1 48.4 -57.9 -46.3 48.9 49.0 51.4 47 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.902 112.7 48.5 -58.3 -40.0 46.5 46.5 53.0 48 102 A Q H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.906 110.6 50.5 -69.2 -44.0 43.6 48.8 52.2 49 103 A H H X S+ 0 0 113 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.924 111.6 49.6 -57.4 -44.2 44.8 49.1 48.5 50 104 A H H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.952 111.4 47.0 -62.6 -48.3 45.1 45.4 48.3 51 105 A W H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.869 105.6 58.8 -66.1 -33.5 41.6 44.7 49.7 52 106 A A H X S+ 0 0 44 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.937 111.5 42.6 -55.9 -45.5 40.1 47.3 47.4 53 107 A T H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.919 112.3 53.1 -63.0 -45.2 41.5 45.2 44.5 54 108 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.4 0.890 109.1 49.8 -62.9 -37.8 40.4 41.9 46.2 55 109 A I H X S+ 0 0 16 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.900 108.3 53.0 -66.0 -40.6 36.8 43.2 46.6 56 110 A A H < S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.4 37.4 -55.6 -38.6 36.8 44.3 42.9 57 111 A V H < S+ 0 0 81 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.909 133.2 19.0 -77.2 -51.2 37.8 40.8 42.0 58 112 A L H < S- 0 0 58 -4,-3.3 -3,-0.2 1,-0.3 2,-0.2 0.585 102.4-114.3-100.9 -18.8 35.9 38.6 44.5 59 113 A G < - 0 0 34 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.1 -0.447 54.3 -40.8 97.2 179.3 33.1 40.7 45.8 60 114 A R - 0 0 144 -2,-0.2 2,-0.1 -4,-0.1 -55,-0.1 -0.724 61.1-145.3 -87.7 117.3 32.5 42.0 49.3 61 115 A P - 0 0 4 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.362 13.1-135.2 -77.2 162.5 33.4 39.4 52.0 62 116 A K S S+ 0 0 143 -57,-2.3 25,-2.5 1,-0.3 2,-0.3 0.814 86.4 2.2 -79.3 -34.4 31.5 39.0 55.3 63 117 A A E -ad 6 87A 19 -58,-1.7 -56,-2.4 23,-0.2 2,-0.4 -0.998 57.8-151.7-152.7 155.8 34.8 38.7 57.2 64 118 A I E -ad 7 88A 0 23,-2.3 25,-2.4 -2,-0.3 2,-0.5 -0.997 11.4-152.8-131.6 130.1 38.6 38.8 56.9 65 119 A K E +ad 8 89A 88 -58,-3.0 -56,-2.5 -2,-0.4 2,-0.3 -0.899 26.1 155.4-100.7 131.7 41.1 36.9 59.1 66 120 A T - 0 0 1 23,-2.2 -56,-0.1 -2,-0.5 2,-0.0 -0.887 42.0 -98.0-136.6 176.0 44.6 38.3 59.5 67 121 A D - 0 0 61 -58,-0.5 -1,-0.1 -2,-0.3 5,-0.0 -0.189 48.9 -92.9 -81.7-172.4 47.4 38.1 62.0 68 122 A N S S+ 0 0 128 22,-0.1 5,-0.1 4,-0.1 -1,-0.1 0.074 70.3 145.9 -94.9 27.0 47.9 40.9 64.6 69 123 A G >> - 0 0 17 1,-0.1 4,-1.9 3,-0.1 3,-1.8 -0.297 61.1-114.9 -59.3 150.7 50.4 42.9 62.5 70 124 A S H 3> S+ 0 0 96 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.750 113.9 60.9 -64.3 -26.0 50.2 46.7 63.0 71 125 A X H 34 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.705 111.5 40.2 -75.1 -18.7 49.0 47.3 59.4 72 126 A F H <4 S+ 0 0 1 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.757 119.9 42.2 -96.7 -28.7 46.0 45.1 60.1 73 127 A T H < S+ 0 0 70 -4,-1.9 -2,-0.2 4,-0.1 -3,-0.2 0.361 85.0 119.3-102.4 2.0 45.2 46.3 63.7 74 128 A S S X S- 0 0 28 -4,-1.0 4,-2.8 -5,-0.2 5,-0.2 -0.216 76.2-115.3 -62.6 155.0 45.7 50.1 63.2 75 129 A K H > S+ 0 0 157 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 117.3 56.3 -52.6 -45.1 42.9 52.5 63.7 76 130 A S H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 110.8 40.6 -56.4 -52.3 43.1 53.3 60.0 77 131 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 112.7 54.5 -67.4 -37.4 42.6 49.8 58.9 78 132 A R H X S+ 0 0 180 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.929 111.8 46.6 -60.6 -41.2 39.9 49.0 61.5 79 133 A E H X S+ 0 0 120 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.862 109.6 52.6 -68.1 -40.0 38.0 52.0 60.2 80 134 A W H X S+ 0 0 14 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.928 110.9 46.6 -62.6 -42.4 38.5 51.1 56.6 81 135 A L H <>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 4,-0.5 0.903 112.3 51.4 -67.6 -39.5 37.1 47.6 57.2 82 136 A A H ><5S+ 0 0 63 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.912 104.7 56.9 -63.2 -39.0 34.1 49.1 59.2 83 137 A R H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 111.2 44.4 -57.8 -35.5 33.4 51.5 56.2 84 138 A W T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.496 112.1-120.5 -83.8 -8.7 33.1 48.4 54.1 85 139 A G T < 5 + 0 0 61 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.2 0.818 62.7 147.2 71.5 28.6 30.9 46.5 56.6 86 140 A I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.1 -23,-0.2 -0.889 46.4-131.7-105.5 126.2 33.5 43.7 56.8 87 141 A A E -d 63 0A 57 -25,-2.5 -23,-2.3 -2,-0.5 2,-0.4 -0.461 23.1-152.9 -72.0 142.3 34.0 41.9 60.0 88 142 A H E +d 64 0A 61 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.973 15.1 178.3-124.9 130.0 37.7 41.5 61.1 89 143 A T E d 65 0A 70 -25,-2.4 -23,-2.2 -2,-0.4 -26,-0.0 -0.987 360.0 360.0-126.8 142.7 39.3 38.8 63.2 90 144 A T 0 0 104 -2,-0.4 -22,-0.1 -25,-0.2 -1,-0.1 0.414 360.0 360.0-110.3 360.0 42.8 38.2 64.3 91 ! 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 92 153 A Q > 0 0 70 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 27.4 45.6 31.1 58.9 93 154 A A H > + 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.814 360.0 59.4 -60.6 -36.6 46.9 27.9 57.3 94 155 A M H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 107.8 42.5 -63.8 -44.5 45.1 28.6 54.0 95 156 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 111.0 56.9 -75.2 -28.3 46.9 31.9 53.3 96 157 A E H X S+ 0 0 101 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.923 109.3 46.3 -63.3 -40.0 50.2 30.4 54.5 97 158 A R H X S+ 0 0 146 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.917 110.8 52.8 -66.3 -45.8 49.8 27.7 51.8 98 159 A A H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.918 106.0 53.9 -52.6 -44.3 48.8 30.4 49.3 99 160 A N H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 112.4 44.2 -57.4 -46.1 52.1 32.3 50.1 100 161 A R H X S+ 0 0 140 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.903 113.7 48.7 -66.4 -45.0 54.1 29.2 49.4 101 162 A L H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.916 114.1 47.8 -62.5 -40.6 52.3 28.3 46.2 102 163 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.928 111.7 46.7 -68.2 -46.3 52.6 31.8 44.9 103 164 A K H X S+ 0 0 64 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.915 114.1 49.7 -66.0 -36.7 56.3 32.2 45.7 104 165 A D H X S+ 0 0 92 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.939 112.4 47.4 -63.1 -44.1 57.0 28.8 44.1 105 166 A K H X S+ 0 0 71 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.901 110.1 52.2 -65.1 -42.2 55.0 29.8 41.0 106 167 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.924 110.5 48.5 -58.8 -45.6 56.7 33.1 40.7 107 168 A R H X S+ 0 0 93 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.944 112.6 47.8 -62.0 -45.5 60.1 31.5 40.8 108 169 A V H X S+ 0 0 74 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 115.2 44.6 -61.4 -45.1 59.2 28.8 38.2 109 170 A L H X S+ 0 0 36 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.935 114.8 48.8 -68.3 -39.8 57.7 31.4 35.8 110 171 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.8 -5,-0.3 3,-0.5 0.953 112.8 46.4 -62.7 -47.5 60.7 33.8 36.3 111 172 A E H ><5S+ 0 0 67 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.878 107.3 59.1 -64.8 -34.8 63.2 31.1 35.7 112 173 A G H 3<5S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.856 105.8 48.3 -59.6 -35.8 61.3 30.0 32.7 113 174 A D T <<5S- 0 0 88 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.365 127.5-102.6 -85.9 7.4 61.7 33.5 31.2 114 175 A G T < 5S+ 0 0 55 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.546 80.6 133.6 82.5 13.4 65.5 33.3 32.1 115 176 A F < + 0 0 47 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.824 21.9 169.2 -98.1 102.9 65.3 35.5 35.2 116 177 A M S S+ 0 0 113 -2,-1.0 -1,-0.2 2,-0.1 -5,-0.1 0.537 70.7 16.3 -90.5 -11.0 67.3 33.7 37.8 117 178 A K S S+ 0 0 173 1,-0.4 2,-0.2 -7,-0.1 -2,-0.1 -0.003 123.2 0.6-130.1-127.8 67.4 36.5 40.3 118 179 A R S S- 0 0 118 -2,-0.1 -1,-0.4 1,-0.1 -102,-0.2 -0.476 73.8-119.4 -70.4 141.8 65.2 39.7 40.4 119 180 A I - 0 0 0 -103,-2.7 5,-0.1 -2,-0.2 -1,-0.1 -0.632 38.6 -99.1 -74.8 130.1 62.5 40.0 37.7 120 181 A P >> - 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.279 33.4-119.3 -50.4 139.5 63.1 43.1 35.5 121 182 A T H >> S+ 0 0 81 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.877 110.8 55.3 -51.8 -43.4 60.7 45.8 36.8 122 183 A S H 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.571 110.7 46.6 -69.8 -8.7 58.9 46.1 33.4 123 184 A K H <> S+ 0 0 104 -3,-2.2 4,-1.9 2,-0.1 -1,-0.3 0.490 89.9 84.9-107.4 -6.8 58.1 42.4 33.4 124 185 A Q H S+ 0 0 174 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 114.3 50.4 -67.6 -36.5 52.6 40.5 33.8 127 188 A L H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 111.3 48.0 -72.4 -38.1 54.5 37.7 35.6 128 189 A L H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.923 112.9 49.4 -62.9 -43.5 52.6 38.3 38.9 129 190 A A H X S+ 0 0 59 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.866 109.4 51.8 -62.6 -37.2 49.3 38.3 37.0 130 191 A K H X S+ 0 0 96 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.895 108.6 51.0 -67.0 -37.9 50.3 35.0 35.2 131 192 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.927 111.7 47.6 -63.1 -44.9 51.1 33.4 38.6 132 193 A M H X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -98,-0.2 0.929 112.0 49.1 -60.5 -46.2 47.7 34.5 39.9 133 194 A Y H X S+ 0 0 115 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.934 109.6 52.5 -53.5 -50.9 46.0 33.1 36.8 134 195 A A H < S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 112.2 45.5 -61.6 -34.0 47.9 29.8 37.1 135 196 A L H < S+ 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.799 123.1 32.4 -76.9 -29.9 46.8 29.3 40.7 136 197 A N H < S+ 0 0 41 -4,-1.8 2,-0.3 -3,-0.3 -2,-0.2 0.707 112.6 46.0 -99.1 -29.9 43.1 30.2 40.1 137 198 A H < 0 0 121 -4,-2.7 -1,-0.0 -5,-0.2 0, 0.0 -0.801 360.0 360.0-127.0 160.4 42.1 29.1 36.6 138 199 A F 0 0 145 -2,-0.3 -2,-0.1 -3,-0.0 -3,-0.1 -0.396 360.0 360.0 -63.8 360.0 42.3 26.2 34.1