==== 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 3O4N . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR A.BALLANDRAS,X.ROBERT,P.GOUET . 270 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 2 0 0 0 1 0 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 2 2 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 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 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 59 A Q 0 0 85 0, 0.0 57,-1.7 0, 0.0 58,-1.6 0.000 360.0 360.0 360.0 150.6 39.2 61.8 -13.5 2 60 A I E -a 59 0A 57 56,-0.2 23,-2.6 55,-0.2 24,-0.4 -0.995 360.0-169.8-118.4 118.6 43.1 62.1 -12.8 3 61 A W E -aB 60 24A 0 56,-2.4 58,-2.3 -2,-0.5 2,-0.4 -0.777 17.4-148.4-105.7 157.4 43.7 63.6 -9.4 4 62 A Q E -aB 61 23A 39 19,-2.0 19,-2.7 -2,-0.3 2,-0.4 -0.992 21.0-173.7-115.8 137.3 46.9 64.9 -7.8 5 63 A T E + B 0 22A 3 56,-2.1 58,-0.4 -2,-0.4 2,-0.3 -0.978 11.9 153.7-128.2 147.5 47.1 64.6 -4.0 6 64 A D E - B 0 21A 36 15,-2.2 15,-2.7 -2,-0.4 2,-0.3 -0.979 35.1-116.1-156.4 168.9 49.7 65.8 -1.4 7 65 A F E + B 0 20A 22 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.847 28.6 177.3-106.4 151.6 50.0 66.8 2.2 8 66 A T E - B 0 19A 21 11,-2.1 11,-3.4 -2,-0.3 2,-0.4 -0.984 27.6-116.9-145.5 153.3 50.9 70.3 3.6 9 67 A L E - B 0 18A 73 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.768 23.5-179.2 -98.1 136.2 51.1 71.7 7.1 10 68 A E > - 0 0 15 7,-2.8 3,-2.2 -2,-0.4 4,-0.1 -0.850 6.7-170.0-128.8 91.7 48.8 74.6 8.3 11 69 A P G > S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.761 80.7 70.7 -62.2 -17.1 49.8 75.5 11.8 12 70 A R G 3 S+ 0 0 49 1,-0.3 103,-2.9 102,-0.2 101,-0.1 0.813 97.7 55.0 -66.3 -17.7 46.7 77.7 12.3 13 71 A M G X S+ 0 0 0 -3,-2.2 3,-0.9 4,-0.2 -1,-0.3 0.214 95.2 172.0 -98.2 12.0 44.6 74.4 12.2 14 72 A A T < + 0 0 12 -3,-1.7 101,-0.1 1,-0.3 22,-0.1 -0.265 54.4 34.0 -60.3 149.7 46.6 72.8 15.1 15 73 A P T 3 S+ 0 0 85 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 -0.993 135.1 36.0 -72.0 -18.6 46.4 70.3 16.7 16 74 A R S < S+ 0 0 68 -3,-0.9 19,-0.3 1,-0.2 20,-0.2 -0.489 81.2 143.5 -90.5 66.9 45.0 68.8 13.5 17 75 A S + 0 0 18 -2,-1.3 -7,-2.8 19,-0.2 2,-0.6 0.542 31.9 97.1 -96.3 -2.2 47.4 70.9 11.3 18 76 A W E -BC 9 35A 91 17,-2.0 17,-1.7 -9,-0.2 2,-0.5 -0.737 58.5-162.1 -87.5 125.8 48.3 68.4 8.5 19 77 A L E -BC 8 34A 1 -11,-3.4 -11,-2.1 -2,-0.6 2,-0.5 -0.878 8.4-153.7-108.1 129.7 46.0 69.1 5.5 20 78 A A E -BC 7 33A 0 13,-3.1 13,-2.1 -2,-0.5 2,-0.4 -0.908 19.8-168.7 -96.1 137.3 45.6 66.5 2.8 21 79 A V E -BC 6 32A 0 -15,-2.7 -15,-2.2 -2,-0.5 2,-0.4 -0.987 11.0-173.7-131.3 128.6 44.7 68.2 -0.5 22 80 A T E -BC 5 31A 0 9,-2.8 9,-2.2 -2,-0.4 2,-0.4 -0.970 3.6-167.1-119.8 144.4 43.5 66.7 -3.8 23 81 A V E -BC 4 30A 4 -19,-2.7 -19,-2.0 -2,-0.4 2,-0.6 -0.987 20.8-134.4-125.7 134.8 43.0 68.5 -7.1 24 82 A D E > -B 3 0A 6 5,-2.4 4,-2.4 -2,-0.4 -21,-0.2 -0.799 18.7-148.5 -86.9 127.1 41.1 67.1 -10.1 25 83 A T T 4 S+ 0 0 51 -23,-2.6 -1,-0.1 -2,-0.6 -22,-0.1 0.777 90.6 45.1 -72.1 -24.4 43.5 68.0 -13.0 26 84 A A T 4 S+ 0 0 92 -24,-0.4 -1,-0.2 1,-0.1 -23,-0.1 0.900 127.4 25.5 -87.5 -40.0 40.7 68.4 -15.6 27 85 A S T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.536 91.1-131.2-100.4 -14.5 38.3 70.5 -13.5 28 86 A S < + 0 0 59 -4,-2.4 -3,-0.1 1,-0.2 2,-0.0 0.590 51.8 155.0 66.9 7.2 40.5 72.2 -10.9 29 87 A A - 0 0 15 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.4 -0.378 27.9-156.0 -61.5 153.4 38.1 71.1 -8.2 30 88 A I E -C 23 0A 8 -7,-0.2 2,-0.4 98,-0.2 -7,-0.2 -0.998 14.3-170.7-140.2 134.2 39.9 70.9 -4.8 31 89 A V E -C 22 0A 0 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.996 9.5-175.5-124.2 133.8 39.1 68.8 -1.7 32 90 A V E -C 21 0A 6 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.969 6.3-179.4-126.6 142.7 40.9 69.3 1.6 33 91 A T E -C 20 0A 14 -13,-2.1 -13,-3.1 -2,-0.4 2,-0.3 -0.982 21.9-129.5-131.7 155.4 40.7 67.4 5.0 34 92 A Q E -C 19 0A 11 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.704 24.9-179.4-102.9 154.0 42.6 68.0 8.2 35 93 A H E -C 18 0A 0 -17,-1.7 -17,-2.0 -2,-0.3 3,-0.1 -0.996 33.4-137.5-150.7 141.5 44.5 65.3 10.2 36 94 A G S S+ 0 0 33 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.828 93.1 17.6 -75.1 -26.8 46.5 65.2 13.5 37 95 A R S S- 0 0 109 -19,-0.1 2,-1.0 -21,-0.1 -1,-0.1 -0.953 78.3-115.6-142.2 154.0 49.2 62.9 11.9 38 96 A V + 0 0 54 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.809 57.8 145.3 -91.8 99.0 50.3 62.0 8.4 39 97 A T > - 0 0 52 -2,-1.0 4,-1.9 1,-0.1 5,-0.2 -0.864 65.5-105.1-128.3 169.7 49.5 58.3 8.2 40 98 A S H > S+ 0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.904 123.4 54.4 -57.9 -41.1 48.3 55.8 5.5 41 99 A V H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.905 104.5 53.0 -60.0 -45.9 45.0 55.9 7.3 42 100 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 109.4 48.4 -57.6 -45.5 44.8 59.6 7.0 43 101 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.905 113.1 49.2 -60.1 -42.9 45.5 59.5 3.2 44 102 A Q H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 111.6 46.6 -63.8 -41.4 42.7 56.8 2.9 45 103 A H H X S+ 0 0 23 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.871 112.0 52.6 -72.5 -35.0 40.1 58.7 4.9 46 104 A H H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.970 110.1 47.6 -58.6 -48.6 41.0 61.9 2.9 47 105 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.871 108.6 53.8 -63.4 -38.2 40.5 60.0 -0.5 48 106 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.9 47.8 -61.9 -43.2 37.1 58.5 0.7 49 107 A T H X S+ 0 0 19 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.948 111.6 49.0 -56.6 -49.5 36.1 62.2 1.5 50 108 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.4 0.881 112.0 49.6 -61.1 -36.4 37.3 63.4 -2.0 51 109 A I H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.918 108.5 52.5 -69.2 -42.4 35.4 60.5 -3.6 52 110 A A H < S+ 0 0 14 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.873 117.9 38.9 -59.4 -36.9 32.2 61.3 -1.7 53 111 A V H < S+ 0 0 46 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.926 134.0 14.9 -77.0 -49.0 32.5 64.9 -2.9 54 112 A L H < S- 0 0 38 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.586 105.5-102.6-111.3 -16.1 33.7 64.5 -6.5 55 113 A G < - 0 0 30 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.1 -0.251 53.6 -52.6 102.1 163.2 33.2 60.9 -7.6 56 114 A R - 0 0 124 -2,-0.1 2,-0.1 132,-0.1 -8,-0.0 -0.638 57.8-142.5 -79.9 123.1 35.6 58.1 -8.0 57 115 A P - 0 0 5 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.368 13.5-130.0 -80.9 159.1 38.7 59.0 -10.2 58 116 A K S S+ 0 0 151 -57,-1.7 25,-2.5 1,-0.2 2,-0.3 0.879 87.6 1.3 -67.3 -37.5 40.4 56.7 -12.7 59 117 A A E -ad 2 83A 13 -58,-1.6 -56,-2.4 23,-0.2 2,-0.4 -0.985 57.8-150.5-153.0 153.2 43.9 57.4 -11.2 60 118 A I E -ad 3 84A 0 23,-2.4 25,-1.7 -2,-0.3 2,-0.4 -0.995 12.6-155.8-127.2 136.4 45.6 59.4 -8.5 61 119 A K E +ad 4 85A 78 -58,-2.3 -56,-2.1 -2,-0.4 2,-0.3 -0.945 22.8 158.3-110.4 137.5 49.2 60.7 -8.8 62 120 A T - 0 0 8 23,-2.1 -56,-0.1 -2,-0.4 2,-0.0 -0.890 39.0-100.7-138.6 176.2 51.4 61.5 -5.8 63 121 A D - 0 0 73 -58,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.124 51.4 -87.3 -84.6-166.9 55.0 61.9 -4.8 64 122 A N S S+ 0 0 109 22,-0.1 5,-0.1 4,-0.1 22,-0.1 0.232 70.3 145.8 -95.9 20.9 57.0 59.2 -3.1 65 123 A G >> - 0 0 26 1,-0.1 3,-1.8 3,-0.1 4,-1.0 -0.207 60.4-117.1 -55.3 146.2 56.1 60.0 0.5 66 124 A S H 3> S+ 0 0 102 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.779 112.5 61.8 -64.4 -30.9 55.8 57.0 2.7 67 125 A C H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.714 111.5 42.8 -54.8 -30.0 52.0 57.5 3.5 68 126 A F H <4 S+ 0 0 2 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.642 117.3 41.2 -96.1 -20.8 51.4 57.1 -0.3 69 127 A T H < S+ 0 0 45 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.1 0.296 84.5 121.6-113.0 5.3 53.7 54.1 -1.1 70 128 A S S X S- 0 0 27 -4,-0.7 4,-2.6 -5,-0.2 5,-0.2 -0.238 75.0-115.8 -66.5 154.4 53.0 51.9 1.9 71 129 A K H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.925 117.8 57.5 -52.4 -42.3 51.6 48.4 1.6 72 130 A S H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 110.5 40.6 -52.8 -54.5 48.4 49.7 3.4 73 131 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.877 112.8 53.8 -66.8 -40.9 47.8 52.4 0.7 74 132 A R H X S+ 0 0 137 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.949 111.8 46.6 -59.8 -44.0 48.7 50.2 -2.2 75 133 A E H X S+ 0 0 51 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.900 112.2 49.6 -62.1 -44.4 46.1 47.6 -1.0 76 134 A W H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.914 110.4 48.6 -61.1 -49.2 43.4 50.2 -0.4 77 135 A L H <>S+ 0 0 3 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.896 112.5 49.5 -64.6 -38.1 43.8 51.9 -3.9 78 136 A A H ><5S+ 0 0 77 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.2 0.931 109.4 52.7 -65.6 -41.4 43.6 48.4 -5.6 79 137 A R H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 112.0 45.1 -59.2 -39.4 40.5 47.5 -3.5 80 138 A W T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.427 113.3-120.5 -83.9 -2.2 38.8 50.7 -4.7 81 139 A G T < 5 + 0 0 64 -3,-1.2 2,-0.5 -4,-0.3 -3,-0.2 0.820 63.5 141.7 72.2 31.2 40.0 50.1 -8.3 82 140 A I < - 0 0 9 -5,-2.6 -23,-0.2 -6,-0.1 -1,-0.2 -0.911 47.4-132.2-111.9 129.5 42.0 53.4 -8.6 83 141 A A E -d 59 0A 57 -25,-2.5 -23,-2.4 -2,-0.5 2,-0.4 -0.486 21.3-153.5 -75.6 154.4 45.3 53.4 -10.5 84 142 A H E -d 60 0A 56 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.997 13.5-177.1-139.4 126.2 48.3 55.1 -8.8 85 143 A T E d 61 0A 77 -25,-1.7 -23,-2.1 -2,-0.4 -26,-0.0 -0.937 360.0 360.0-115.2 141.6 51.4 56.7 -10.3 86 144 A T 0 0 87 -2,-0.4 -22,-0.1 -25,-0.2 -1,-0.1 0.561 360.0 360.0-116.6 360.0 54.4 58.2 -8.3 87 ! 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 88 153 A Q > 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -69.7 52.7 69.1 -8.5 89 154 A A H > + 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 360.0 46.3 -62.1 -36.8 52.0 72.6 -9.9 90 155 A M H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 114.7 46.8 -70.2 -39.1 48.2 72.4 -9.5 91 156 A V H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.889 111.9 51.6 -69.7 -40.5 48.4 71.0 -5.9 92 157 A E H X S+ 0 0 102 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.919 109.9 48.9 -62.2 -41.9 51.0 73.6 -5.0 93 158 A R H X S+ 0 0 146 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.923 110.4 51.9 -58.9 -40.7 48.7 76.3 -6.3 94 159 A A H X S+ 0 0 2 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.908 107.0 52.8 -65.3 -39.2 45.8 74.8 -4.4 95 160 A N H X S+ 0 0 16 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.899 110.1 46.8 -58.7 -48.0 47.9 74.8 -1.2 96 161 A R H X S+ 0 0 156 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.931 113.1 48.5 -63.9 -41.7 48.7 78.5 -1.5 97 162 A L H X S+ 0 0 56 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 114.0 47.5 -64.8 -42.5 45.1 79.5 -2.3 98 163 A L H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.931 111.2 49.4 -62.4 -46.0 43.8 77.5 0.7 99 164 A K H X S+ 0 0 61 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.881 109.7 52.8 -62.9 -39.1 46.3 78.9 3.1 100 165 A D H X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.4 46.0 -58.9 -45.9 45.5 82.4 2.1 101 166 A K H X S+ 0 0 88 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.918 112.7 50.8 -65.0 -40.9 41.8 81.9 2.6 102 167 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.936 110.5 49.4 -64.6 -43.7 42.4 80.3 5.9 103 168 A R H X S+ 0 0 84 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.944 113.7 44.4 -57.4 -51.8 44.7 83.1 7.1 104 169 A V H X S+ 0 0 89 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 115.0 47.6 -67.5 -40.7 42.3 85.9 6.1 105 170 A L H X S+ 0 0 56 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.944 116.0 44.1 -62.8 -45.5 39.2 84.3 7.6 106 171 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.3 3,-0.7 0.946 115.2 46.7 -65.2 -49.7 41.0 83.4 10.9 107 172 A E H ><5S+ 0 0 78 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.917 108.4 57.5 -62.9 -38.2 42.7 86.9 11.3 108 173 A G H 3<5S+ 0 0 69 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.812 105.3 49.9 -56.0 -35.9 39.4 88.5 10.5 109 174 A D T <<5S- 0 0 103 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.254 126.9-102.2 -82.6 3.0 37.7 86.6 13.4 110 175 A G T < 5S+ 0 0 50 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.585 80.8 134.2 88.2 9.2 40.5 87.8 15.6 111 176 A F < + 0 0 46 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.810 20.2 167.2 -95.0 100.0 42.5 84.5 15.7 112 177 A M S S+ 0 0 98 -2,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.629 71.5 11.6 -89.9 -14.3 46.1 85.6 15.1 113 178 A K S S+ 0 0 170 1,-0.4 2,-0.2 -7,-0.1 -2,-0.1 0.166 124.9 10.1-126.4-107.0 47.7 82.3 16.0 114 179 A R S S- 0 0 161 -101,-0.1 -1,-0.4 1,-0.1 -101,-0.2 -0.490 70.2-130.4 -81.4 139.1 45.9 79.0 16.5 115 180 A I - 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0 0 30 1,-0.1 3,-1.6 3,-0.1 4,-1.1 -0.297 60.6-115.6 -58.1 150.1 26.1 58.8 22.0 202 124 B S H 3> S+ 0 0 97 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.825 112.9 59.8 -69.2 -24.8 28.1 62.1 22.5 203 125 B C H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.703 109.1 45.9 -77.2 -13.5 30.0 61.7 19.2 204 126 B F H <4 S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.651 118.2 39.7 -94.5 -20.4 26.7 61.6 17.3 205 127 B T H < S+ 0 0 70 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.342 87.8 120.9-113.0 5.7 25.1 64.6 19.1 206 128 B S S X S- 0 0 28 -4,-0.8 4,-2.7 -5,-0.2 5,-0.2 -0.176 74.3-115.2 -61.7 156.0 28.2 66.9 19.3 207 129 B K H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 118.2 55.4 -55.5 -41.1 28.3 70.4 17.8 208 130 B S H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 111.7 43.3 -63.7 -46.1 31.1 69.2 15.4 209 131 B T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 112.2 52.4 -67.1 -42.3 28.8 66.3 14.2 210 132 B R H X S+ 0 0 150 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.936 112.0 46.9 -53.5 -45.5 25.7 68.5 13.9 211 133 B E H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.887 111.6 50.7 -63.0 -44.6 27.6 71.0 11.8 212 134 B W H X S+ 0 0 22 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.946 110.2 48.4 -62.8 -47.7 29.0 68.3 9.5 213 135 B L H <>S+ 0 0 4 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.895 111.3 51.3 -59.6 -34.9 25.6 66.7 8.9 214 136 B A H ><5S+ 0 0 68 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.898 106.3 53.3 -70.0 -39.7 24.2 70.1 8.1 215 137 B R H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 112.4 45.5 -65.0 -32.1 27.0 70.9 5.5 216 138 B W T 3<5S- 0 0 32 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.507 113.2-122.1 -85.5 -9.0 26.2 67.6 3.8 217 139 B G T < 5 + 0 0 57 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.841 60.0 148.2 69.5 38.5 22.4 68.3 3.9 218 140 B I < - 0 0 9 -5,-2.6 -1,-0.2 -6,-0.1 -23,-0.2 -0.899 43.7-134.8-110.3 124.6 21.7 65.1 5.8 219 141 B A E -h 195 0B 56 -25,-2.3 -23,-2.3 -2,-0.5 2,-0.4 -0.491 20.1-154.6 -75.0 146.0 18.8 65.0 8.3 220 142 B H E -h 196 0B 59 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.986 10.7-172.9-129.1 127.7 19.6 63.3 11.6 221 143 B T E h 197 0B 62 -25,-1.8 -23,-2.2 -2,-0.4 -26,-0.0 -0.959 360.0 360.0-120.1 137.1 17.1 61.6 14.0 222 144 B T 0 0 100 -2,-0.4 -22,-0.1 -25,-0.2 -1,-0.1 0.164 360.0 360.0-115.3 360.0 18.0 60.3 17.5 223 ! 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 0.0 224 150 B S 0 0 146 0, 0.0 -25,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 45.3 17.6 55.3 24.9 225 151 B Q - 0 0 94 1,-0.1 2,-0.2 -26,-0.0 0, 0.0 -0.198 360.0-138.7 -73.3 177.2 16.1 52.6 22.6 226 152 B G - 0 0 57 -27,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.690 15.6-103.3-121.2-168.8 18.4 51.0 19.9 227 153 B Q > - 0 0 32 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.963 15.9-146.8-122.0 122.4 17.9 50.0 16.3 228 154 B A H > S+ 0 0 86 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.813 92.1 52.3 -43.2 -48.5 17.4 46.3 15.2 229 155 B M H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 112.4 43.4 -69.2 -42.7 19.1 46.4 11.8 230 156 B V H > S+ 0 0 7 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.917 113.1 52.2 -69.5 -39.1 22.4 47.9 12.9 231 157 B E H X S+ 0 0 112 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.901 110.9 49.3 -59.9 -38.9 22.6 45.6 16.1 232 158 B R H X S+ 0 0 170 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.904 110.1 49.2 -65.2 -44.6 22.1 42.6 13.8 233 159 B A H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.922 107.1 56.7 -60.5 -43.6 24.9 43.9 11.4 234 160 B N H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.926 110.8 44.5 -51.7 -49.4 27.1 44.3 14.5 235 161 B R H X S+ 0 0 137 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.904 113.8 47.8 -62.4 -45.3 26.5 40.6 15.3 236 162 B L H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.902 112.4 50.3 -60.2 -45.7 27.0 39.3 11.8 237 163 B L H X S+ 0 0 1 -4,-3.3 4,-2.8 -5,-0.2 5,-0.2 0.959 109.3 48.7 -63.4 -48.8 30.2 41.3 11.4 238 164 B K H X S+ 0 0 45 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.935 113.3 48.1 -59.1 -42.2 31.8 40.1 14.6 239 165 B D H X S+ 0 0 76 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.929 113.3 48.2 -55.5 -49.1 31.0 36.4 13.8 240 166 B K H X S+ 0 0 66 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.904 108.9 52.1 -61.0 -47.0 32.4 36.9 10.3 241 167 B I H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.933 110.5 49.8 -52.6 -48.4 35.6 38.6 11.6 242 168 B R H X S+ 0 0 102 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.949 111.2 48.9 -54.9 -50.4 36.2 35.6 14.0 243 169 B V H X S+ 0 0 76 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.921 114.7 43.7 -60.3 -47.6 35.7 33.0 11.2 244 170 B L H X S+ 0 0 26 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.924 114.7 48.0 -66.3 -45.1 38.0 34.7 8.7 245 171 B A H ><>S+ 0 0 0 -4,-2.6 5,-2.3 -5,-0.2 3,-0.8 0.930 111.5 51.6 -60.7 -48.7 40.8 35.4 11.3 246 172 B E H ><5S+ 0 0 64 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.836 104.5 55.7 -62.2 -30.0 40.6 31.9 12.6 247 173 B G H 3<5S+ 0 0 66 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.762 107.8 50.3 -71.1 -24.1 41.0 30.4 9.0 248 174 B D T <<5S- 0 0 84 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.402 123.8-104.3 -95.7 0.4 44.2 32.4 8.7 249 175 B G T < 5S+ 0 0 50 -3,-0.9 2,-0.8 -4,-0.4 -3,-0.2 0.540 78.6 132.6 93.4 6.5 45.6 31.1 11.9 250 176 B F < + 0 0 43 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.838 24.7 172.4 -91.1 113.1 45.0 34.3 14.0 251 177 B M + 0 0 106 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.731 69.6 4.3 -97.3 -23.9 43.4 32.9 17.2 252 178 B K S S+ 0 0 180 1,-0.4 2,-0.2 -7,-0.1 -2,-0.1 0.250 125.1 16.8-126.0-108.4 43.3 36.1 19.3 253 179 B R S S- 0 0 135 -104,-0.1 -1,-0.4 1,-0.1 -2,-0.2 -0.478 73.4-128.3 -74.1 136.5 44.5 39.6 18.1 254 180 B I - 0 0 0 -106,-2.9 5,-0.1 -2,-0.2 -1,-0.1 -0.732 33.1-105.8 -79.9 132.5 44.8 40.0 14.3 255 181 B P >> - 0 0 45 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.296 28.8-120.8 -59.2 132.7 48.3 41.4 13.4 256 182 B A H >> S+ 0 0 61 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.826 111.2 60.3 -46.6 -37.1 47.8 45.1 12.4 257 183 B S H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.621 110.0 43.6 -69.2 -10.2 49.2 44.4 8.8 258 184 B K H <> S+ 0 0 92 -3,-2.7 4,-1.7 2,-0.1 -1,-0.2 0.512 92.1 82.6-105.5 -13.6 46.4 41.9 8.2 259 185 B Q H S+ 0 0 93 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 116.7 50.6 -67.9 -35.2 42.2 43.1 4.1 262 188 B L H X S+ 0 0 5 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.916 110.0 47.2 -72.6 -40.0 40.4 41.0 6.7 263 189 B L H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 113.9 49.0 -66.7 -39.3 37.8 43.6 7.7 264 190 B A H X S+ 0 0 26 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.870 110.8 50.7 -65.7 -40.3 37.2 44.4 3.9 265 191 B K H X S+ 0 0 99 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.881 111.3 48.6 -66.1 -38.1 36.7 40.7 3.2 266 192 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 112.5 46.7 -66.3 -41.9 34.2 40.4 6.1 267 193 B M H X S+ 0 0 35 -4,-2.4 4,-1.7 2,-0.2 -101,-0.2 0.921 114.3 48.5 -67.7 -42.4 32.2 43.4 5.0 268 194 B Y H X S+ 0 0 149 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.946 108.8 54.1 -63.0 -48.6 32.2 42.1 1.3 269 195 B A H < S+ 0 0 31 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.893 109.7 46.9 -53.2 -45.4 31.1 38.5 2.4 270 196 B L H >< S+ 0 0 32 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.876 114.9 46.0 -64.7 -34.9 28.1 39.9 4.3 271 197 B N H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.702 118.6 42.0 -77.3 -19.2 27.0 42.1 1.4 272 198 B H T 3< 0 0 106 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.1 -0.519 360.0 360.0-128.9 48.8 27.5 39.4 -1.2 273 199 B F < 0 0 242 -3,-0.6 -3,-0.1 -2,-0.1 -4,-0.0 -0.186 360.0 360.0 -62.2 360.0 26.0 36.4 0.5