==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-10 3ORY . COMPND 2 MOLECULE: FLAP ENDONUCLEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROCOCCUS AMYLOLYTICUS; . AUTHOR T.MASE,K.KUBOTA,K.MIYAZONO,Y.KAWARABAYASHII,M.TANOKURA . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.5 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 1 2 1 1 3 0 0 1 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 -3 A G 0 0 73 0, 0.0 2,-0.4 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0-159.8 27.3 44.4 25.4 2 -2 A V - 0 0 39 35,-0.2 2,-0.8 2,-0.0 177,-0.1 -0.800 360.0-128.2-107.9 140.2 28.4 45.8 22.0 3 -1 A D + 0 0 31 -2,-0.4 101,-0.1 1,-0.1 4,-0.1 -0.769 35.4 161.5 -87.7 112.8 26.2 47.6 19.4 4 1 A M + 0 0 10 -2,-0.8 96,-0.2 2,-0.1 -1,-0.1 0.170 68.0 6.5-113.6 14.6 26.8 45.9 16.0 5 2 A G S S- 0 0 0 95,-0.1 2,-0.6 92,-0.1 -2,-0.1 -0.249 117.3 -12.0-154.8-122.9 23.7 47.2 14.2 6 3 A V - 0 0 1 -2,-0.1 175,-2.5 2,-0.0 2,-0.7 -0.931 58.5-162.0-105.1 113.6 20.9 49.5 14.9 7 4 A D + 0 0 52 -2,-0.6 3,-0.1 173,-0.2 173,-0.1 -0.872 24.1 160.8-103.1 113.9 20.8 50.5 18.6 8 5 A L >> + 0 0 0 -2,-0.7 3,-2.6 1,-0.1 4,-1.0 0.207 31.1 127.5-111.4 10.8 17.5 52.0 19.7 9 6 A K G >4 S+ 0 0 114 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.802 71.4 45.9 -40.9 -50.0 18.0 51.4 23.5 10 7 A D G 34 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.448 110.3 52.3 -88.0 5.7 17.3 55.0 24.7 11 8 A I G <4 S+ 0 0 12 -3,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.477 80.4 107.3-105.9 -5.3 14.2 55.5 22.6 12 9 A I << - 0 0 10 -4,-1.0 2,-0.1 -3,-0.8 5,-0.1 -0.593 68.1-136.8 -71.6 116.6 12.4 52.3 23.9 13 10 A P >> - 0 0 28 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.398 16.8-114.8 -73.8 153.9 9.7 53.4 26.3 14 11 A G G >4 S+ 0 0 50 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.829 113.9 59.3 -51.8 -40.4 9.1 51.5 29.6 15 12 A E G 34 S+ 0 0 122 1,-0.2 -1,-0.3 207,-0.1 210,-0.0 0.659 102.1 55.7 -66.5 -16.8 5.7 50.2 28.5 16 13 A A G <4 S+ 0 0 1 -3,-1.7 202,-1.1 206,-0.1 2,-0.4 0.587 101.3 63.0 -94.3 -13.9 7.2 48.5 25.4 17 14 A K E << -A 217 0A 67 -3,-1.0 2,-0.5 -4,-0.5 200,-0.2 -0.907 61.1-159.9-116.3 142.2 9.8 46.3 27.3 18 15 A T E -A 216 0A 62 198,-2.4 198,-2.8 -2,-0.4 2,-0.3 -0.986 20.0-132.8-118.9 120.5 9.2 43.6 29.9 19 16 A V E -A 215 0A 77 -2,-0.5 2,-0.6 196,-0.2 196,-0.2 -0.555 15.3-145.6 -68.3 128.2 12.1 42.6 32.2 20 17 A I - 0 0 12 194,-3.0 3,-0.1 -2,-0.3 4,-0.0 -0.912 5.6-147.4 -97.5 118.0 12.5 38.8 32.3 21 18 A E S S- 0 0 109 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.872 72.2 -19.5 -59.1 -43.3 13.6 38.0 35.9 22 19 A D S > S- 0 0 88 191,-0.1 3,-1.5 -3,-0.1 4,-0.4 -0.970 72.4 -92.8-153.9 169.8 15.7 35.0 34.7 23 20 A L G > S+ 0 0 25 -2,-0.3 3,-1.8 1,-0.2 -2,-0.1 0.802 112.4 70.8 -48.7 -36.9 16.1 32.7 31.7 24 21 A R G > S+ 0 0 140 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.757 80.7 72.0 -62.4 -28.0 13.8 30.0 33.2 25 22 A I G < S+ 0 0 96 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.841 97.1 53.2 -53.9 -30.9 10.7 32.2 32.7 26 23 A L G X S+ 0 0 4 -3,-1.8 3,-2.4 -4,-0.4 -1,-0.3 0.255 80.7 150.1 -89.0 12.8 11.1 31.4 28.9 27 24 A H T < + 0 0 104 -3,-2.3 53,-0.2 1,-0.3 52,-0.2 -0.140 67.4 16.3 -50.7 136.3 11.2 27.6 29.6 28 25 A G T 3 S+ 0 0 43 51,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.262 97.3 125.5 83.3 -11.5 9.9 25.6 26.6 29 26 A K < - 0 0 79 -3,-2.4 52,-3.2 144,-0.0 2,-0.6 -0.540 59.9-129.8 -83.3 145.4 10.1 28.5 24.2 30 27 A I E -b 81 0A 51 -2,-0.2 144,-3.1 50,-0.2 145,-1.0 -0.843 26.8-168.3 -89.6 123.7 12.0 28.4 20.9 31 28 A I E -bc 82 175A 0 50,-1.9 52,-2.2 -2,-0.6 2,-0.7 -0.968 13.3-147.7-118.1 125.2 14.4 31.4 20.6 32 29 A V E -bc 83 176A 0 143,-2.4 145,-2.1 -2,-0.5 2,-0.6 -0.833 18.2-158.9 -95.4 114.1 16.0 32.3 17.3 33 30 A I E -bc 84 177A 1 50,-3.3 52,-2.1 -2,-0.7 2,-0.2 -0.799 19.3-122.6-101.8 121.1 19.4 33.8 18.1 34 31 A D E > -b 85 0A 7 143,-2.5 4,-1.8 -2,-0.6 52,-0.2 -0.450 23.6-148.9 -62.2 124.9 21.2 36.0 15.5 35 32 A G H > S+ 0 0 0 50,-3.2 4,-2.4 -2,-0.2 5,-0.2 0.946 87.8 43.9 -65.7 -55.7 24.5 34.2 15.0 36 33 A Y H > S+ 0 0 3 49,-0.4 4,-2.4 1,-0.2 5,-0.2 0.903 113.8 51.5 -61.3 -42.6 26.9 37.1 14.2 37 34 A N H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 110.9 47.9 -62.8 -44.2 25.5 39.3 16.9 38 35 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.919 111.0 50.6 -59.8 -45.0 26.0 36.6 19.5 39 36 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.889 110.0 50.6 -64.0 -38.1 29.5 35.8 18.4 40 37 A Y H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.881 108.6 52.2 -62.7 -40.4 30.3 39.5 18.6 41 38 A Q H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.931 111.3 46.5 -60.8 -45.5 28.9 39.6 22.2 42 39 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.878 108.8 55.6 -64.3 -40.0 31.1 36.7 23.2 43 40 A L H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 117.2 35.9 -58.9 -38.5 34.2 38.3 21.5 44 41 A A H < S+ 0 0 28 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.822 123.2 40.5 -83.8 -35.4 33.7 41.4 23.7 45 42 A A H < S+ 0 0 66 -4,-2.7 2,-0.8 -5,-0.2 -3,-0.2 0.758 98.9 72.8 -92.4 -27.0 32.4 39.9 26.9 46 43 A I < + 0 0 44 -4,-2.2 8,-0.7 -5,-0.2 2,-0.3 -0.817 67.0 144.1 -99.6 108.1 34.6 36.8 27.4 47 44 A R B -G 53 0B 43 -2,-0.8 5,-0.1 6,-0.2 -3,-0.0 -0.923 53.1 -98.3-141.0 156.4 38.1 37.8 28.3 48 45 A Q > - 0 0 74 4,-3.6 3,-1.8 -2,-0.3 6,-0.1 -0.264 58.6 -90.9 -64.4 164.0 41.1 36.9 30.4 49 46 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.857 128.5 50.9 -52.5 -36.2 41.3 38.8 33.8 50 47 A D T 3 S- 0 0 91 2,-0.1 79,-0.0 1,-0.1 -2,-0.0 0.561 124.5 -98.8 -79.7 -9.2 43.4 41.6 32.3 51 48 A G S < S+ 0 0 10 -3,-1.8 79,-0.2 1,-0.4 -1,-0.1 0.326 79.9 133.0 108.8 -5.1 41.0 42.1 29.3 52 49 A T - 0 0 53 1,-0.1 -4,-3.6 77,-0.1 -1,-0.4 -0.495 62.3-103.0 -71.5 144.1 42.9 40.2 26.7 53 50 A P B -G 47 0B 5 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.271 40.3 -94.2 -62.8 155.5 40.8 37.7 24.6 54 51 A L - 0 0 46 -8,-0.7 8,-2.7 -11,-0.1 9,-0.9 -0.491 51.7-173.2 -66.4 140.9 40.9 34.0 25.2 55 52 A M B -H 61 0C 84 6,-0.3 6,-0.2 7,-0.2 2,-0.1 -0.982 19.2-133.0-141.1 148.5 43.4 32.3 23.0 56 53 A D > - 0 0 8 4,-2.4 3,-1.5 -2,-0.3 264,-0.1 -0.269 44.5 -89.2 -87.8-176.4 44.5 28.8 22.1 57 54 A N T 3 S+ 0 0 136 1,-0.3 262,-0.1 2,-0.1 263,-0.0 0.558 126.3 60.5 -73.9 -10.1 48.2 27.5 22.0 58 55 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 261,-0.0 261,-0.0 0.187 121.2-107.8 -95.5 12.6 48.4 28.5 18.3 59 56 A G S < S+ 0 0 54 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.503 72.9 143.1 73.5 7.0 47.7 32.1 19.3 60 57 A R - 0 0 91 1,-0.1 -4,-2.4 2,-0.0 -1,-0.2 -0.587 57.0-108.8 -85.2 140.2 44.1 32.1 17.9 61 58 A I B +H 55 0C 45 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.393 36.8 172.5 -62.8 133.8 41.2 33.9 19.6 62 59 A T >> + 0 0 5 -8,-2.7 4,-2.1 -2,-0.1 3,-0.8 0.374 45.8 106.7-125.1 1.7 38.7 31.4 21.2 63 60 A S H 3> S+ 0 0 0 -9,-0.9 4,-2.5 1,-0.3 5,-0.2 0.819 79.6 54.1 -50.4 -39.0 36.4 33.8 23.1 64 61 A H H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.860 110.4 45.4 -68.8 -37.2 33.6 33.3 20.5 65 62 A L H <> S+ 0 0 0 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.843 111.6 52.2 -74.1 -36.9 33.7 29.5 21.0 66 63 A S H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.949 113.7 43.6 -63.9 -51.0 33.8 29.7 24.8 67 64 A G H X>S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.937 113.7 50.7 -55.3 -50.1 30.8 32.0 24.8 68 65 A L H X5S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.903 115.2 43.5 -60.0 -42.7 28.9 29.9 22.3 69 66 A F H X5S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.991 121.4 34.8 -63.5 -62.5 29.6 26.7 24.3 70 67 A Y H X5S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -3,-0.2 0.862 119.7 48.0 -69.0 -38.8 28.9 27.9 27.8 71 68 A R H X5S+ 0 0 41 -4,-2.6 4,-2.2 -5,-0.4 -1,-0.2 0.895 111.1 50.8 -69.3 -40.2 26.1 30.3 27.1 72 69 A T H XS+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 3,-0.3 0.935 112.4 45.2 -63.4 -48.1 20.2 28.6 27.8 76 73 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.894 109.2 56.1 -60.4 -42.5 19.3 24.9 27.4 77 74 A E H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.763 103.0 56.4 -62.5 -27.1 19.6 24.4 31.2 78 75 A A T 3<5S- 0 0 11 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.488 124.1-107.8 -79.5 -5.4 17.0 27.1 31.5 79 76 A G T < 5S+ 0 0 4 -3,-1.9 -51,-2.8 1,-0.3 2,-0.2 0.471 72.7 141.6 91.2 3.3 14.7 25.1 29.3 80 77 A I < - 0 0 0 -5,-1.9 -1,-0.3 -53,-0.2 -50,-0.2 -0.550 48.5-139.8 -76.5 140.5 15.0 27.4 26.3 81 78 A K E -b 30 0A 60 -52,-3.2 -50,-1.9 -2,-0.2 2,-0.2 -0.845 28.4-161.3-100.9 96.1 15.1 25.7 22.9 82 79 A P E +b 31 0A 0 0, 0.0 2,-0.3 0, 0.0 -50,-0.2 -0.532 18.6 177.6 -87.0 146.8 17.7 27.7 21.0 83 80 A V E -b 32 0A 0 -52,-2.2 -50,-3.3 -2,-0.2 2,-0.2 -0.986 17.9-145.8-138.3 133.4 18.3 27.9 17.2 84 81 A Y E -bd 33 153A 1 68,-2.0 70,-2.3 -2,-0.3 2,-0.4 -0.654 4.9-152.9 -95.8 154.7 20.9 30.2 15.7 85 82 A V E -bd 34 154A 0 -52,-2.1 -50,-3.2 68,-0.2 -49,-0.4 -0.996 8.7-155.9-129.3 129.2 20.6 31.9 12.4 86 83 A F E - d 0 155A 1 68,-2.9 70,-2.9 -2,-0.4 72,-0.1 -0.870 22.0-108.2-112.2 142.1 23.7 32.8 10.2 87 84 A D - 0 0 10 -2,-0.4 72,-0.2 68,-0.2 -1,-0.1 -0.125 17.9-127.1 -63.1 151.8 23.9 35.6 7.6 88 85 A G S S+ 0 0 29 70,-2.7 71,-0.1 67,-0.1 -1,-0.1 0.648 94.5 61.8 -72.4 -16.7 24.1 34.9 3.9 89 86 A K S S- 0 0 123 69,-0.3 -2,-0.1 1,-0.0 71,-0.1 -0.842 94.7-104.1-111.1 148.3 27.3 37.0 3.7 90 87 A P > - 0 0 40 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.346 35.0-113.9 -64.4 153.1 30.6 36.5 5.5 91 88 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 7,-0.1 0.790 114.3 67.4 -63.9 -25.5 31.2 38.8 8.4 92 89 A E G 3 S+ 0 0 85 1,-0.3 43,-0.1 41,-0.1 41,-0.0 0.653 103.4 46.8 -62.8 -15.8 34.0 40.5 6.5 93 90 A L G < S+ 0 0 122 -3,-2.2 2,-0.9 5,-0.0 -1,-0.3 0.122 78.7 111.4-117.6 20.1 31.4 41.8 4.1 94 91 A K <> - 0 0 17 -3,-1.5 4,-2.1 1,-0.2 5,-0.2 -0.832 50.7-165.5 -95.0 101.2 28.8 43.1 6.6 95 92 A A H > S+ 0 0 38 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.863 81.7 45.6 -64.4 -41.5 29.1 46.9 6.1 96 93 A R H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.936 112.1 51.3 -68.2 -43.9 27.2 48.1 9.2 97 94 A E H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 112.1 48.1 -58.2 -39.2 29.1 45.6 11.6 98 95 A I H X S+ 0 0 75 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 112.2 47.8 -70.1 -41.4 32.4 46.9 10.1 99 96 A E H X S+ 0 0 37 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.880 112.1 50.7 -63.6 -40.4 31.4 50.5 10.5 100 97 A R H X S+ 0 0 57 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.938 110.2 49.3 -62.6 -48.4 30.2 49.8 14.1 101 98 A R H X S+ 0 0 41 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.0 49.7 -55.6 -49.4 33.5 48.1 15.0 102 99 A K H X S+ 0 0 126 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 111.2 49.8 -56.7 -44.5 35.5 51.0 13.5 103 100 A A H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 110.5 49.0 -62.5 -44.0 33.5 53.6 15.5 104 101 A V H X S+ 0 0 57 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.938 112.0 49.6 -59.8 -47.6 33.9 51.6 18.8 105 102 A K H X S+ 0 0 92 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.872 110.3 49.4 -59.0 -44.3 37.7 51.4 18.2 106 103 A E H X S+ 0 0 118 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.896 114.1 46.2 -62.8 -42.8 38.0 55.1 17.5 107 104 A E H X S+ 0 0 101 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.930 112.9 48.8 -64.6 -48.9 36.0 56.0 20.7 108 105 A A H X S+ 0 0 19 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.862 109.2 54.0 -57.3 -39.6 38.0 53.5 22.8 109 106 A A H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 109.2 47.6 -63.9 -42.4 41.4 55.0 21.4 110 107 A K H X S+ 0 0 101 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.932 114.7 46.2 -63.0 -47.4 40.4 58.5 22.4 111 108 A K H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.845 110.2 53.2 -65.5 -37.3 39.3 57.4 25.9 112 109 A Y H X S+ 0 0 105 -4,-2.6 4,-2.2 15,-0.3 -1,-0.2 0.907 109.0 50.0 -62.5 -42.8 42.5 55.3 26.4 113 110 A E H X S+ 0 0 130 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 110.6 49.0 -62.6 -44.3 44.6 58.3 25.6 114 111 A E H X S+ 0 0 82 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.896 111.3 50.3 -62.1 -41.8 42.7 60.5 28.1 115 112 A A H X>S+ 0 0 4 -4,-2.2 5,-2.5 2,-0.2 4,-1.2 0.872 110.8 48.2 -65.0 -40.5 43.1 57.8 30.8 116 113 A V H <5S+ 0 0 84 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.913 113.4 48.1 -65.0 -42.8 46.9 57.5 30.2 117 114 A Q H <5S+ 0 0 160 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 114.6 45.2 -68.2 -33.8 47.2 61.3 30.3 118 115 A S H <5S- 0 0 86 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.642 112.4-119.9 -84.0 -16.0 45.1 61.6 33.5 119 116 A G T <5 + 0 0 65 -4,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.766 60.0 148.6 83.4 29.6 47.0 58.7 35.1 120 117 A D >< - 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0 0 12 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.880 60.4-120.2-128.6 158.5 4.8 55.6 14.9 229 226 A T > - 0 0 77 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.456 35.9-105.8 -85.7 167.9 4.2 53.2 12.0 230 227 A L H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.903 124.4 55.0 -60.2 -41.4 6.5 50.4 11.0 231 228 A E H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 106.5 51.4 -58.1 -42.5 7.7 52.5 8.1 232 229 A N H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 109.8 49.8 -56.8 -45.8 8.6 55.3 10.6 233 230 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 110.8 48.6 -61.6 -46.1 10.6 52.7 12.7 234 231 A I H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.924 109.2 54.0 -57.8 -43.8 12.5 51.5 9.6 235 232 A D H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 103.4 55.8 -62.1 -36.9 13.2 55.2 8.7 236 233 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.943 108.3 49.2 -57.2 -45.5 14.7 55.8 12.2 237 234 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.871 108.2 52.7 -60.3 -41.4 17.0 52.9 11.4 238 235 A I H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.872 107.2 52.0 -63.7 -38.9 18.0 54.3 8.1 239 236 A L H < S+ 0 0 0 -4,-2.2 10,-2.3 1,-0.2 -1,-0.2 0.858 113.4 45.1 -65.4 -34.2 18.8 57.7 9.7 240 237 A L H < S- 0 0 22 -4,-1.7 -2,-0.2 8,-0.2 -1,-0.2 0.822 126.6 -94.3 -78.4 -33.0 21.1 55.8 12.1 241 238 A G < - 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0 0 52 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.302 34.2-123.6 -56.2 134.2 14.4 69.6 5.3 272 269 A K G >4 S+ 0 0 138 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.780 105.0 61.6 -51.2 -40.0 17.5 68.8 3.2 273 270 A P G 34 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.758 97.3 61.5 -61.4 -24.2 20.0 70.8 5.3 274 271 A I G <4 S+ 0 0 71 -3,-1.7 2,-0.7 1,-0.1 -2,-0.2 0.823 96.3 66.2 -69.1 -33.1 19.3 68.6 8.4 275 272 A L << + 0 0 34 -3,-0.9 2,-0.5 -4,-0.6 -1,-0.1 -0.831 62.0 177.2-102.8 111.7 20.4 65.5 6.6 276 273 A K + 0 0 120 -2,-0.7 -26,-2.8 -26,-0.3 3,-0.1 -0.963 5.9 170.6-116.2 121.1 24.2 65.3 5.8 277 274 A S - 0 0 37 -2,-0.5 -28,-0.1 -28,-0.2 3,-0.0 -0.981 37.3-137.6-131.1 140.8 25.5 62.1 4.2 278 275 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.982 96.0 24.2 -58.2 -54.6 28.9 61.3 2.6 279 276 A I S S- 0 0 126 -3,-0.1 2,-0.1 1,-0.0 0, 0.0 -0.797 95.4 -98.6-109.7 151.3 27.2 59.5 -0.3 280 277 A E - 0 0 171 -2,-0.3 2,-0.4 -3,-0.0 -1,-0.0 -0.435 42.5-155.4 -63.0 139.9 23.7 59.8 -1.8 281 278 A V - 0 0 15 -2,-0.1 2,-1.6 -36,-0.0 3,-0.2 -0.968 21.1-135.2-129.2 133.8 21.4 57.1 -0.4 282 279 A D > + 0 0 111 -2,-0.4 4,-1.9 -38,-0.2 5,-0.2 -0.636 33.6 172.8 -87.2 81.0 18.2 55.6 -1.9 283 280 A V H > S+ 0 0 8 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.788 71.5 54.3 -66.6 -29.6 16.3 55.7 1.4 284 281 A I H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 108.9 47.6 -70.1 -44.3 12.9 54.7 -0.2 285 282 A A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.882 111.7 51.2 -62.1 -38.6 14.4 51.5 -1.7 286 283 A I H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.7 48.6 -64.9 -46.2 16.1 50.7 1.6 287 284 A K H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.948 111.3 49.3 -55.7 -51.5 12.8 51.1 3.5 288 285 A K H X S+ 0 0 122 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.830 109.8 52.8 -61.0 -32.9 10.9 48.9 0.9 289 286 A Y H >< S+ 0 0 53 -4,-1.9 3,-0.5 2,-0.2 -1,-0.2 0.944 106.5 51.6 -65.8 -48.4 13.7 46.3 1.3 290 287 A F H 3< S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.866 109.1 52.8 -55.1 -35.5 13.3 46.3 5.1 291 288 A L H 3< S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.823 127.7 19.6 -68.3 -34.0 9.5 45.8 4.5 292 289 A Q S << S+ 0 0 167 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 -0.565 86.8 177.2-137.1 71.9 10.1 42.8 2.3 293 290 A P - 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