==== 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 TRANSCRIPTION 08-SEP-08 3EFB . COMPND 2 MOLECULE: PROBABLE SOR-OPERON REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR Y.KIM,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS,W.F.AND . 962 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40034.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 654 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 29 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 3 0 3 7 4 5 7 2 1 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 8 7 5 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 . 16 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 11 A E 0 0 140 0, 0.0 3,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 -62.4 -14.6 3.6 34.2 2 12 A N > + 0 0 26 18,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.439 360.0 154.1-131.4 59.5 -18.1 2.7 33.1 3 13 A L H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 70.3 50.9 -67.2 -34.9 -17.5 -0.5 31.1 4 14 A W H > S+ 0 0 171 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.959 110.6 48.6 -67.3 -45.8 -20.9 -2.1 31.6 5 15 A L H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 112.2 50.4 -58.0 -42.2 -22.8 1.0 30.4 6 16 A E H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 112.3 45.7 -61.7 -45.2 -20.5 1.2 27.4 7 17 A Q H X S+ 0 0 93 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.884 109.8 55.3 -67.1 -38.5 -21.1 -2.5 26.5 8 18 A Q H X S+ 0 0 38 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.923 111.4 44.1 -60.8 -43.4 -24.9 -2.1 27.0 9 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 6,-0.4 0.907 112.2 52.8 -65.3 -43.9 -25.0 0.8 24.5 10 20 A K H X>S+ 0 0 80 -4,-2.3 4,-1.5 1,-0.2 5,-1.1 0.928 114.2 42.7 -57.1 -43.9 -22.7 -1.1 22.1 11 21 A Q H <5S+ 0 0 117 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.918 115.2 46.6 -74.3 -42.8 -25.0 -4.1 22.2 12 22 A K H <5S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.906 126.4 27.2 -65.1 -40.8 -28.4 -2.2 22.0 13 23 A F H <5S- 0 0 11 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.456 102.9-116.5-109.3 -4.2 -27.4 0.1 19.2 14 24 A G T <5 + 0 0 58 -4,-1.5 2,-0.2 -5,-0.3 -3,-0.2 0.901 53.0 169.4 71.8 42.3 -24.8 -1.8 17.3 15 25 A L < - 0 0 13 -5,-1.1 219,-0.2 -6,-0.4 -1,-0.2 -0.592 37.8-146.9 -90.0 150.6 -21.9 0.6 18.0 16 26 A K S S+ 0 0 100 217,-2.8 2,-0.3 1,-0.3 218,-0.2 0.865 82.7 2.6 -77.1 -39.4 -18.3 0.0 17.3 17 27 A D E -a 234 0A 32 216,-1.0 218,-1.4 2,-0.0 2,-0.3 -0.993 62.2-174.1-151.1 150.1 -17.0 2.1 20.2 18 28 A V E -a 235 0A 11 -2,-0.3 2,-0.4 216,-0.2 218,-0.2 -0.995 9.5-161.5-150.3 140.4 -18.5 4.0 23.1 19 29 A V E -a 236 0A 22 216,-2.8 218,-2.6 -2,-0.3 2,-0.5 -0.998 9.2-176.6-122.0 125.6 -17.1 6.3 25.9 20 30 A V E -a 237 0A 2 -2,-0.4 2,-0.3 216,-0.2 218,-0.3 -0.961 10.4-161.5-123.0 114.9 -19.3 6.9 29.0 21 31 A V E -a 238 0A 1 216,-2.6 218,-2.4 -2,-0.5 2,-0.8 -0.678 21.4-117.9 -96.5 149.1 -17.8 9.3 31.5 22 32 A S - 0 0 33 -2,-0.3 2,-1.0 216,-0.2 216,-0.1 -0.755 21.6-158.8 -86.5 110.8 -18.9 9.6 35.1 23 33 A G - 0 0 20 -2,-0.8 2,-2.4 1,-0.1 217,-0.1 -0.761 9.0-151.7 -88.7 100.1 -20.3 13.1 35.8 24 34 A N - 0 0 125 -2,-1.0 3,-0.1 1,-0.2 -1,-0.1 -0.379 63.0 -68.1 -75.7 70.6 -20.0 13.4 39.6 25 35 A D S S+ 0 0 169 -2,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.531 98.6 148.9 63.0 0.8 -22.9 15.8 40.2 26 36 A E - 0 0 95 1,-0.1 -1,-0.2 2,-0.1 5,-0.0 -0.270 50.9 -93.7 -73.9 157.8 -20.7 18.2 38.4 27 37 A D > - 0 0 100 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.044 36.6-100.0 -72.7 172.1 -22.1 21.0 36.3 28 38 A E H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 116.3 47.3 -59.7 -56.2 -22.8 20.9 32.6 29 39 A E H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 114.8 49.2 -56.3 -37.9 -19.7 22.7 31.1 30 40 A T H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 110.4 49.9 -66.7 -40.9 -17.4 20.6 33.3 31 41 A Q H X S+ 0 0 18 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.928 109.9 51.4 -67.1 -46.2 -19.1 17.4 32.2 32 42 A L H X S+ 0 0 9 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.878 106.8 53.1 -54.6 -44.5 -18.8 18.4 28.6 33 43 A A H X S+ 0 0 45 -4,-1.9 4,-3.1 -5,-0.2 -1,-0.2 0.897 108.0 51.8 -59.9 -38.3 -15.1 19.1 29.0 34 44 A X H X S+ 0 0 40 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.911 109.6 48.7 -63.5 -43.1 -14.7 15.6 30.5 35 45 A X H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.916 111.0 51.8 -60.1 -43.8 -16.5 14.2 27.5 36 46 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.945 109.9 48.6 -59.0 -49.7 -14.2 16.2 25.3 37 47 A L H X S+ 0 0 38 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.937 118.1 37.3 -61.0 -48.6 -11.1 14.9 27.0 38 48 A H H X S+ 0 0 54 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.871 114.9 55.3 -77.9 -31.4 -12.0 11.2 26.9 39 49 A G H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.872 105.4 53.8 -59.8 -37.8 -13.6 11.5 23.4 40 50 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.893 105.7 52.3 -65.7 -38.6 -10.3 13.0 22.2 41 51 A Q H X S+ 0 0 96 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.936 110.9 48.5 -63.7 -41.9 -8.4 10.0 23.5 42 52 A L H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.949 111.6 48.5 -60.5 -50.3 -10.8 7.7 21.6 43 53 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.4 0.944 111.6 49.6 -57.1 -45.7 -10.5 9.7 18.4 44 54 A D H < S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.8 51.1 -62.6 -33.5 -6.7 9.6 18.6 45 55 A R H < S+ 0 0 163 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.798 111.4 47.6 -70.1 -33.9 -6.8 5.9 19.2 46 56 A L H < S+ 0 0 11 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.645 85.0 110.8 -87.4 -17.9 -9.0 5.2 16.2 47 57 A L < - 0 0 15 -4,-1.4 30,-0.0 -5,-0.2 3,-0.0 -0.281 47.8-162.1 -62.0 143.3 -7.1 7.3 13.6 48 58 A E > - 0 0 98 1,-0.0 3,-2.2 27,-0.0 27,-0.1 -0.936 36.8 -81.5-120.7 151.0 -5.3 5.6 10.7 49 59 A P T 3 S+ 0 0 97 0, 0.0 27,-0.2 0, 0.0 28,-0.1 -0.165 117.1 15.9 -47.4 133.5 -2.5 7.1 8.4 50 60 A G T 3 S+ 0 0 37 25,-3.1 26,-0.1 1,-0.2 27,-0.1 0.493 88.0 162.2 76.0 3.9 -4.0 9.1 5.6 51 61 A D < - 0 0 5 -3,-2.2 27,-2.4 24,-0.4 2,-0.7 -0.323 37.7-137.8 -55.2 135.0 -7.5 9.4 7.3 52 62 A I E -b 78 0A 17 92,-0.2 94,-2.3 25,-0.2 95,-2.0 -0.902 24.4-160.0 -90.3 114.6 -9.8 12.1 6.0 53 63 A V E -bc 79 147A 0 25,-3.1 27,-2.9 -2,-0.7 2,-0.3 -0.888 2.8-159.0-108.9 117.1 -11.3 13.5 9.2 54 64 A G E -bc 80 148A 0 93,-3.0 95,-2.4 -2,-0.5 2,-0.4 -0.775 5.6-162.7-101.8 139.3 -14.6 15.5 9.0 55 65 A F E -bc 81 149A 0 25,-2.4 27,-2.9 -2,-0.3 28,-0.4 -0.951 6.5-159.5-125.0 136.2 -15.8 18.0 11.6 56 66 A S - 0 0 3 93,-1.9 2,-0.1 -2,-0.4 43,-0.1 -0.415 32.2-102.2 -93.7-175.8 -19.1 19.5 12.3 57 67 A W + 0 0 31 -2,-0.2 4,-0.4 27,-0.1 94,-0.3 -0.356 63.2 75.0 -99.1 179.4 -19.5 22.7 14.3 58 68 A G S > S- 0 0 14 36,-2.3 4,-1.8 33,-0.2 5,-0.1 -0.171 82.4 -73.2 111.2 168.4 -20.6 23.5 17.9 59 69 A R H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.618 121.1 58.0 -81.8 -12.7 -19.3 23.4 21.4 60 70 A A H > S+ 0 0 19 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.925 111.7 40.9 -76.5 -48.2 -19.6 19.6 21.9 61 71 A V H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.888 114.0 56.5 -61.6 -35.9 -17.2 19.0 18.9 62 72 A S H X S+ 0 0 4 -4,-1.8 4,-3.5 1,-0.2 5,-0.3 0.920 100.2 56.6 -62.1 -45.1 -15.1 21.9 20.3 63 73 A A H X S+ 0 0 5 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.905 111.5 44.6 -51.3 -43.5 -14.7 20.3 23.7 64 74 A L H >< S+ 0 0 0 -4,-1.5 3,-0.9 2,-0.2 4,-0.3 0.963 114.4 47.1 -67.2 -51.4 -13.2 17.3 21.9 65 75 A V H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.935 107.4 56.4 -57.2 -49.0 -11.0 19.3 19.6 66 76 A E H 3< S+ 0 0 109 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.762 110.7 47.5 -53.5 -27.4 -9.7 21.6 22.4 67 77 A N T << S+ 0 0 46 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.329 77.6 128.6-103.7 8.2 -8.6 18.4 24.2 68 78 A L < - 0 0 6 -3,-2.0 2,-0.1 -4,-0.3 -27,-0.1 -0.431 66.0-113.1 -58.2 136.2 -6.8 16.6 21.4 69 79 A P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.467 35.1-106.7 -63.3 138.7 -3.2 15.5 22.4 70 80 A Q - 0 0 74 -2,-0.1 37,-0.2 37,-0.1 2,-0.2 -0.642 37.1-133.5 -73.8 117.6 -0.6 17.4 20.5 71 81 A A - 0 0 15 35,-3.3 37,-0.1 -2,-0.6 3,-0.1 -0.478 14.6-161.3 -70.9 139.5 0.8 14.9 17.9 72 82 A G S S+ 0 0 56 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.766 78.9 39.7 -84.3 -32.5 4.6 14.7 17.6 73 83 A Q S S- 0 0 156 34,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.925 85.5-114.8-120.7 143.3 4.4 13.0 14.2 74 84 A S - 0 0 54 -2,-0.4 34,-0.1 1,-0.1 35,-0.1 -0.487 13.9-166.4 -66.7 142.3 2.2 13.5 11.2 75 85 A R - 0 0 54 32,-0.6 -25,-3.1 -2,-0.1 -24,-0.4 -0.108 54.4-105.4-111.5 29.1 -0.1 10.6 10.3 76 86 A Q + 0 0 119 32,-0.3 2,-0.1 -27,-0.2 33,-0.1 0.826 64.2 172.5 46.8 37.9 -0.7 12.3 7.0 77 87 A L - 0 0 2 30,-0.3 33,-2.1 31,-0.2 2,-0.5 -0.455 24.3-154.3 -77.3 147.1 -4.2 13.3 8.3 78 88 A I E -bd 52 110A 38 -27,-2.4 -25,-3.1 31,-0.2 2,-0.4 -0.981 8.5-157.6-123.2 120.5 -6.5 15.6 6.3 79 89 A C E +bd 53 111A 0 31,-3.2 33,-2.0 -2,-0.5 -25,-0.2 -0.830 17.6 168.3-103.1 135.5 -9.1 17.6 8.3 80 90 A V E -b 54 0A 0 -27,-2.9 -25,-2.4 -2,-0.4 2,-0.2 -0.987 35.8-112.9-142.7 149.8 -12.2 19.0 6.7 81 91 A P E -b 55 0A 0 0, 0.0 -25,-0.2 0, 0.0 61,-0.1 -0.609 16.1-159.7 -70.5 142.3 -15.5 20.6 7.7 82 92 A I S S+ 0 0 0 -27,-2.9 117,-2.4 -2,-0.2 2,-0.3 0.155 77.1 41.9-108.4 20.4 -18.5 18.5 6.9 83 93 A I B S-G 198 0B 0 -28,-0.4 115,-0.2 115,-0.2 31,-0.2 -0.971 87.4-107.4-152.6 154.2 -20.9 21.5 7.0 84 94 A G - 0 0 0 113,-1.7 12,-0.2 -2,-0.3 34,-0.2 -0.074 55.7 -66.9 -70.4 179.9 -20.7 25.1 5.8 85 95 A G B -h 117 0C 0 31,-2.5 33,-3.5 752,-0.1 34,-0.5 -0.297 39.3-121.0 -69.7 158.0 -20.3 28.1 8.0 86 96 A P > - 0 0 8 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.381 36.0-126.5 -80.3 1.7 -23.0 29.1 10.5 87 97 A S T 3 S- 0 0 20 1,-0.3 749,-0.1 2,-0.1 -2,-0.0 0.915 74.4 -47.8 48.6 50.4 -23.4 32.6 9.1 88 98 A G T 3 S+ 0 0 59 2,-0.2 -1,-0.3 747,-0.1 4,-0.1 0.508 113.1 116.2 75.2 4.1 -22.9 34.3 12.4 89 99 A K S < S+ 0 0 122 -3,-1.5 2,-0.3 2,-0.1 -2,-0.1 0.546 76.1 42.6 -81.8 -9.1 -25.3 32.0 14.2 90 100 A L S S- 0 0 43 -32,-0.0 -2,-0.2 68,-0.0 5,-0.1 -0.970 97.1 -99.4-128.1 150.0 -22.4 30.6 16.4 91 101 A E > - 0 0 110 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.358 40.9-109.5 -57.2 148.9 -19.6 32.4 18.1 92 102 A S G > S+ 0 0 14 741,-0.4 3,-1.4 1,-0.3 6,-0.2 0.793 115.6 71.2 -52.6 -34.1 -16.3 32.2 16.1 93 103 A R G 3 S+ 0 0 110 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.806 105.7 37.3 -50.9 -34.7 -15.0 29.8 18.8 94 104 A Y G < S+ 0 0 24 -3,-2.2 -36,-2.3 4,-0.1 -1,-0.3 0.280 83.4 131.5-110.1 8.4 -17.4 27.1 17.6 95 105 A H <> - 0 0 6 -3,-1.4 4,-2.2 -4,-0.3 3,-0.2 -0.358 65.0-125.3 -59.8 136.7 -17.2 27.8 13.9 96 106 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 111.9 51.0 -54.8 -39.1 -16.6 24.6 11.9 97 107 A N H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 107.8 52.5 -67.0 -35.9 -13.6 26.1 10.2 98 108 A T H > S+ 0 0 19 -3,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.932 112.8 44.8 -62.0 -45.5 -12.1 27.2 13.6 99 109 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.896 113.2 49.7 -68.2 -43.6 -12.5 23.6 14.8 100 110 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.4 46.8 -60.0 -49.0 -11.1 22.0 11.7 101 111 A Y H X S+ 0 0 79 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.924 114.2 47.4 -61.0 -47.0 -8.0 24.3 11.6 102 112 A S H X S+ 0 0 42 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.888 110.4 52.5 -63.8 -38.7 -7.4 23.7 15.3 103 113 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.937 106.8 53.6 -62.1 -42.2 -7.8 19.9 15.0 104 114 A A H <>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 4,-0.3 0.877 107.4 51.1 -61.8 -36.8 -5.3 19.9 12.1 105 115 A A H ><5S+ 0 0 56 -4,-1.6 3,-1.0 3,-0.2 -1,-0.2 0.939 112.8 44.1 -65.2 -47.5 -2.7 21.7 14.3 106 116 A K H 3<5S+ 0 0 53 -4,-2.1 -35,-3.3 1,-0.2 -2,-0.2 0.893 119.0 43.9 -66.1 -34.5 -3.1 19.2 17.1 107 117 A L T 3<5S- 0 0 0 -4,-2.7 -32,-0.6 -5,-0.2 -30,-0.3 0.379 106.0-127.0 -89.9 4.6 -3.0 16.3 14.7 108 118 A K T < 5S+ 0 0 110 -3,-1.0 -32,-0.3 -4,-0.3 -3,-0.2 0.884 70.1 124.7 46.7 41.6 -0.1 17.7 12.7 109 119 A G < - 0 0 23 -5,-2.7 2,-0.3 -6,-0.2 -31,-0.2 -0.384 65.1 -95.4-110.8-165.1 -2.3 17.3 9.6 110 120 A E E -d 78 0A 114 -33,-2.1 -31,-3.2 -2,-0.1 2,-0.4 -0.862 31.9-149.5-115.0 147.9 -3.5 19.6 6.8 111 121 A S E -d 79 0A 10 -2,-0.3 2,-0.5 -33,-0.2 703,-0.5 -0.919 9.1-160.6-119.9 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S -a 21 0A 0 -24,-0.3 4,-2.5 -218,-0.3 5,-0.2 -0.698 36.9-104.3-113.5 167.8 -22.0 10.8 30.2 239 257 A S H > S+ 0 0 23 -218,-2.4 4,-2.3 -2,-0.2 5,-0.2 0.904 117.9 51.5 -52.7 -48.6 -23.2 8.3 32.8 240 258 A S H > S+ 0 0 43 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 113.0 43.4 -63.2 -41.3 -26.6 10.0 33.1 241 259 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 110.3 54.5 -72.0 -41.3 -27.4 10.0 29.4 242 260 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 5,-0.2 0.961 109.0 50.4 -57.5 -45.8 -26.2 6.4 28.8 243 261 A E H X S+ 0 0 103 -4,-2.3 4,-2.5 -5,-0.2 3,-0.5 0.896 110.3 48.9 -58.4 -42.5 -28.6 5.4 31.6 244 262 A L H < S+ 0 0 43 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.894 106.1 57.7 -61.2 -44.1 -31.5 7.3 29.9 245 263 A L H < S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.732 114.3 37.9 -60.0 -26.2 -30.6 5.7 26.5 246 264 A L H < 0 0 49 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.807 360.0 360.0 -93.7 -37.6 -31.1 2.3 28.1 247 265 A K < 0 0 194 -4,-2.5 -3,-0.1 -5,-0.2 -4,-0.0 0.624 360.0 360.0 -75.2 360.0 -34.1 3.2 30.3 248 !* 0 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5,-0.8 0.953 114.5 42.1 -61.1 -47.2 40.1 61.5 32.9 259 21 B Q H <5S+ 0 0 125 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.917 116.6 48.2 -66.3 -42.9 41.0 64.8 31.4 260 22 B K H <5S+ 0 0 119 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.921 128.0 21.2 -69.6 -44.0 41.1 63.5 27.9 261 23 B F H <5S- 0 0 43 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.446 102.6-118.1-105.4 -0.6 37.9 61.6 27.8 262 24 B G T <5 + 0 0 55 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.2 0.892 50.9 175.8 68.7 40.2 36.1 63.3 30.7 263 25 B L < - 0 0 16 -5,-0.8 210,-0.2 -6,-0.5 -1,-0.2 -0.474 36.8-138.3 -83.1 151.8 35.9 60.1 32.7 264 26 B K S S- 0 0 137 208,-3.0 2,-0.3 1,-0.3 209,-0.2 0.898 84.7 -11.3 -73.5 -42.3 34.6 60.0 36.3 265 27 B D E -m 473 0F 25 207,-0.8 209,-1.3 -8,-0.0 2,-0.3 -0.981 64.0-164.0-154.9 155.9 37.3 57.6 37.5 266 28 B V E -m 474 0F 2 -2,-0.3 2,-0.4 207,-0.2 209,-0.2 -0.994 7.0-157.4-143.2 146.9 40.0 55.5 35.9 267 29 B V E -m 475 0F 13 207,-2.9 209,-2.9 -2,-0.3 2,-0.5 -0.997 11.4-177.1-125.7 124.4 42.2 52.6 37.0 268 30 B V E -m 476 0F 5 -2,-0.4 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110.5 41.8 -63.9 -40.2 43.9 39.9 38.0 279 44 B X H X S+ 0 0 89 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.888 115.9 50.0 -70.5 -37.6 45.4 43.2 39.0 280 45 B X H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.916 110.9 51.8 -61.7 -41.3 42.8 45.0 36.9 281 46 B G H X S+ 0 0 0 -4,-3.9 4,-2.9 2,-0.2 -2,-0.2 0.951 111.3 44.7 -59.6 -51.9 40.2 42.9 38.7 282 47 B L H X S+ 0 0 52 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.956 119.9 39.7 -61.8 -52.1 41.5 43.8 42.2 283 48 B H H X S+ 0 0 69 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.883 117.4 50.2 -67.6 -34.8 41.9 47.5 41.5 284 49 B G H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.888 109.7 51.3 -65.9 -38.5 38.7 47.6 39.5 285 50 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.908 108.9 51.0 -65.4 -39.7 36.9 45.8 42.4 286 51 B Q H X S+ 0 0 100 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.873 108.5 52.0 -64.2 -37.8 38.2 48.4 44.8 287 52 B L H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 3,-0.3 0.939 108.4 51.2 -62.5 -46.1 36.9 51.1 42.5 288 53 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.906 106.5 52.6 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