==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-02 1MO3 . COMPND 2 MOLECULE: RECA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DATTA,N.GANESH,N.R.CHANDRA,TB STRUCTURAL GENOMICS . 313 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 2 0 0 2 0 0 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 1 A M 0 0 147 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 63.7 43.3 25.5 2 2 A T + 0 0 145 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.536 360.0 122.7 -74.2 126.2 61.7 40.2 24.3 3 3 A Q + 0 0 132 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.961 11.0 143.9-172.1 162.4 57.9 40.5 24.1 4 4 A T S > S+ 0 0 59 -2,-0.3 4,-1.9 0, 0.0 5,-0.2 0.110 73.9 47.7-170.7 -57.4 55.0 40.2 21.7 5 5 A P H > S+ 0 0 100 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.997 117.5 39.9 -65.5 -64.8 51.7 38.9 23.1 6 6 A D H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.623 112.9 63.8 -59.8 -12.2 51.5 41.0 26.3 7 7 A R H >> S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.981 100.0 44.8 -75.5 -63.3 52.7 43.9 24.0 8 8 A E H 3X S+ 0 0 108 -4,-1.9 4,-1.7 1,-0.3 -2,-0.2 0.695 111.3 61.4 -53.7 -17.1 49.8 44.1 21.6 9 9 A K H 3X S+ 0 0 131 -4,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.948 104.4 43.1 -73.5 -52.1 47.8 43.8 24.8 10 10 A A H X S+ 0 0 61 -4,-2.5 3,-1.9 1,-0.3 4,-1.2 0.970 112.9 37.6 -48.1 -66.7 42.9 57.3 23.9 19 19 A E H 3X S+ 0 0 59 -4,-2.7 4,-0.9 1,-0.3 -1,-0.3 0.706 108.7 66.9 -61.0 -20.5 39.5 56.9 22.2 20 20 A K H 3< S+ 0 0 164 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.699 116.7 23.1 -75.1 -18.1 37.8 56.8 25.5 21 21 A S H << S+ 0 0 77 -3,-1.9 -2,-0.2 -4,-1.0 -1,-0.2 0.400 131.3 36.3-128.2 0.8 38.8 60.4 26.2 22 22 A Y H < S- 0 0 179 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.274 114.7 -88.8-135.3 5.3 39.4 62.0 22.8 23 23 A G >< - 0 0 39 -4,-0.9 3,-1.9 -5,-0.3 2,-1.0 0.162 47.8 -67.8 99.2 145.4 36.7 60.3 20.6 24 24 A K T 3 S+ 0 0 159 1,-0.3 -8,-0.0 2,-0.1 -4,-0.0 -0.560 125.5 41.2 -70.3 104.0 36.5 57.2 18.5 25 25 A G T 3 S+ 0 0 11 -2,-1.0 -1,-0.3 2,-0.2 214,-0.1 0.288 73.8 118.8 137.1 -1.0 38.9 58.0 15.7 26 26 A S S < S+ 0 0 35 -3,-1.9 2,-0.3 1,-0.1 -2,-0.1 0.848 85.8 18.4 -58.5 -40.4 41.6 59.6 17.8 27 27 A V S S+ 0 0 64 -12,-0.1 2,-0.3 210,-0.1 -2,-0.2 -0.979 75.9 161.1-134.4 146.5 44.1 57.0 16.7 28 28 A M - 0 0 67 -2,-0.3 2,-0.5 -3,-0.1 3,-0.0 -0.969 36.2-119.1-157.4 168.4 44.0 54.6 13.7 29 29 A R > - 0 0 121 -2,-0.3 3,-1.9 1,-0.1 211,-0.2 -0.972 26.6-130.3-115.4 127.2 46.0 52.4 11.4 30 30 A L T 3 S+ 0 0 113 -2,-0.5 -1,-0.1 1,-0.3 210,-0.1 0.812 109.4 56.3 -45.0 -30.3 45.9 53.3 7.7 31 31 A G T 3 S+ 0 0 73 -3,-0.0 -1,-0.3 2,-0.0 209,-0.0 0.758 83.0 101.2 -77.0 -26.8 45.1 49.7 7.2 32 32 A D < - 0 0 65 -3,-1.9 208,-0.2 1,-0.1 -4,-0.0 0.014 45.6-172.6 -52.5 166.4 41.9 49.4 9.4 33 33 A E + 0 0 138 206,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.410 37.1 135.8-137.6 -14.0 38.5 49.5 7.7 34 34 A A + 0 0 75 205,-0.0 206,-0.2 2,-0.0 0, 0.0 0.437 35.1 54.0 -31.7 170.4 36.3 49.7 10.8 35 35 A R + 0 0 108 1,-0.1 203,-0.0 204,-0.1 0, 0.0 0.480 41.1 173.2 69.2 145.5 33.3 52.0 11.3 36 36 A Q - 0 0 96 18,-0.0 -1,-0.1 203,-0.0 18,-0.1 -0.388 17.5-158.8 177.1 91.5 30.3 52.3 9.1 37 37 A P - 0 0 62 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.185 25.2-115.5 -78.7 174.2 27.4 54.5 10.3 38 38 A I S S+ 0 0 175 1,-0.1 2,-0.4 -2,-0.0 0, 0.0 0.938 96.1 52.1 -73.4 -50.0 23.7 54.5 9.4 39 39 A S + 0 0 52 20,-0.0 2,-0.3 2,-0.0 20,-0.2 -0.754 61.0 148.9 -97.9 139.2 23.5 58.0 7.9 40 40 A V - 0 0 31 -2,-0.4 19,-0.1 18,-0.1 15,-0.0 -0.959 40.6-127.9-161.0 143.0 25.9 59.4 5.2 41 41 A I B -A 57 0A 2 16,-1.9 16,-2.7 -2,-0.3 43,-0.1 -0.839 28.3-133.5-104.4 104.2 25.5 61.9 2.4 42 42 A P - 0 0 55 0, 0.0 41,-0.2 0, 0.0 14,-0.2 -0.204 6.8-146.2 -51.6 139.7 26.6 60.3 -0.9 43 43 A T - 0 0 1 2,-0.3 37,-0.2 12,-0.1 36,-0.1 0.592 41.2-104.9 -87.1 -15.0 28.9 62.7 -2.9 44 44 A G S S+ 0 0 17 35,-0.1 2,-0.3 36,-0.1 3,-0.1 0.427 100.8 75.8 104.3 -1.6 27.8 61.7 -6.3 45 45 A S > - 0 0 0 1,-0.1 4,-1.7 215,-0.1 3,-0.4 -0.937 64.6-154.6-142.8 115.0 30.9 59.6 -7.2 46 46 A I H > S+ 0 0 12 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.791 96.2 63.4 -62.6 -25.2 31.3 56.2 -5.7 47 47 A A H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.942 108.0 40.7 -62.7 -46.3 35.1 56.6 -6.1 48 48 A L H > S+ 0 0 1 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.760 110.4 60.7 -72.5 -25.6 35.0 59.5 -3.7 49 49 A D H < S+ 0 0 15 -4,-1.7 6,-1.4 2,-0.2 7,-0.5 0.873 108.5 41.2 -70.4 -36.9 32.5 57.7 -1.5 50 50 A V H < S+ 0 0 47 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.825 109.1 59.6 -79.4 -30.0 35.0 54.8 -0.9 51 51 A A H < S+ 0 0 5 -4,-1.6 192,-0.3 1,-0.3 -2,-0.2 0.846 104.8 51.5 -63.9 -30.0 37.8 57.3 -0.5 52 52 A L S < S- 0 0 0 -4,-1.2 2,-0.3 -5,-0.1 -1,-0.3 0.726 102.7-145.1 -77.6 -20.2 35.8 58.7 2.3 53 53 A G S S+ 0 0 18 -3,-0.5 -3,-0.1 -4,-0.5 -1,-0.1 -0.041 86.0 69.2 83.6 -34.2 35.5 55.2 3.7 54 54 A I S S- 0 0 4 2,-0.4 -4,-0.1 -2,-0.3 -1,-0.1 0.236 113.6-105.5-101.4 14.1 32.0 55.5 5.1 55 55 A G S S- 0 0 28 -6,-1.4 2,-0.3 1,-0.1 -5,-0.2 0.587 88.4 -0.8 77.0 10.8 30.4 55.7 1.7 56 56 A G S S- 0 0 0 -7,-0.5 -2,-0.4 -14,-0.2 -1,-0.1 -0.979 103.4 -30.2 167.1-164.7 29.7 59.4 1.7 57 57 A L B -A 41 0A 3 -16,-2.7 -16,-1.9 -2,-0.3 130,-0.0 -0.544 63.0-108.0 -82.6 144.3 30.0 62.6 3.8 58 58 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 3,-0.2 -0.039 31.8-130.3 -59.9 170.1 29.9 62.5 7.6 59 59 A R S S+ 0 0 78 -20,-0.2 127,-0.2 1,-0.2 128,-0.1 -0.966 79.0 22.2-128.9 144.7 26.9 63.8 9.5 60 60 A G S S+ 0 0 5 125,-0.6 2,-0.3 -2,-0.4 127,-0.3 0.794 107.5 86.3 74.3 27.2 26.7 66.2 12.4 61 61 A R S S- 0 0 77 -3,-0.2 127,-1.7 124,-0.2 2,-0.3 -0.972 79.0 -90.6-154.3 168.9 30.1 67.7 11.7 62 62 A V E -b 188 0B 5 143,-0.3 145,-2.3 -2,-0.3 146,-1.0 -0.644 34.3-170.1 -86.8 135.9 32.2 70.2 9.8 63 63 A I E -bc 189 208B 0 125,-3.2 127,-2.3 -2,-0.3 2,-0.5 -0.958 7.2-152.8-125.5 141.9 33.8 69.4 6.4 64 64 A E E -bc 190 209B 6 144,-2.4 146,-2.9 -2,-0.4 2,-0.6 -0.965 9.6-175.0-123.7 122.7 36.3 71.4 4.4 65 65 A I E +bc 191 210B 2 125,-2.0 127,-2.4 -2,-0.5 2,-0.3 -0.940 19.7 169.2-113.0 108.9 36.8 71.4 0.7 66 66 A Y E +bc 192 211B 33 144,-2.3 146,-2.5 -2,-0.6 127,-0.2 -0.797 13.6 109.4-118.9 163.2 39.7 73.5 -0.4 67 67 A G E -b 193 0B 0 125,-1.5 127,-1.4 -2,-0.3 146,-0.1 -0.789 62.8 -57.9 152.5 166.8 41.6 73.9 -3.7 68 68 A P S > S- 0 0 49 0, 0.0 3,-0.8 0, 0.0 5,-0.3 0.109 72.0 -66.6 -63.4-179.4 42.2 76.5 -6.5 69 69 A E T 3 S+ 0 0 152 125,-0.3 124,-0.0 1,-0.2 126,-0.0 -0.487 117.9 14.3 -73.6 142.6 39.5 78.1 -8.6 70 70 A S T 3 S+ 0 0 93 -2,-0.2 -1,-0.2 -3,-0.1 143,-0.0 0.846 87.1 124.1 63.7 38.0 37.5 75.9 -11.0 71 71 A S S < S- 0 0 4 -3,-0.8 142,-0.1 -4,-0.1 -2,-0.1 0.860 86.1 -94.9 -91.1 -45.2 38.8 72.7 -9.3 72 72 A G S > S+ 0 0 10 -4,-0.3 4,-2.9 140,-0.1 5,-0.2 0.308 84.3 125.1 143.7 0.0 35.4 71.1 -8.6 73 73 A K H > S+ 0 0 4 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.929 79.5 42.4 -49.9 -58.8 34.7 72.2 -5.0 74 74 A T H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 114.4 52.2 -57.4 -47.0 31.3 73.8 -5.6 75 75 A T H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.956 110.5 47.4 -52.9 -54.6 30.2 71.0 -7.9 76 76 A V H X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.884 114.4 47.4 -55.2 -41.0 31.1 68.4 -5.3 77 77 A A H X S+ 0 0 2 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.857 109.2 53.0 -70.2 -36.1 29.2 70.4 -2.6 78 78 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.803 107.9 51.4 -69.8 -29.5 26.2 70.9 -4.8 79 79 A H H X S+ 0 0 15 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.927 106.7 53.0 -71.3 -44.9 25.9 67.2 -5.4 80 80 A A H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.876 111.1 49.8 -56.5 -34.2 26.1 66.6 -1.7 81 81 A V H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.976 107.7 50.7 -68.6 -53.6 23.2 69.1 -1.6 82 82 A A H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.893 113.1 46.8 -49.9 -45.7 21.1 67.3 -4.3 83 83 A N H X S+ 0 0 43 -4,-2.6 4,-1.2 -41,-0.2 -1,-0.2 0.950 106.9 56.2 -63.7 -50.1 21.5 64.0 -2.5 84 84 A A H ><>S+ 0 0 7 -4,-2.1 5,-1.2 -5,-0.3 3,-0.6 0.914 112.7 43.3 -47.8 -48.1 20.6 65.4 0.9 85 85 A Q H ><5S+ 0 0 24 -4,-2.3 3,-1.6 1,-0.2 4,-0.4 0.903 104.5 61.6 -65.7 -45.1 17.4 66.7 -0.5 86 86 A A H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.713 100.4 57.7 -55.8 -20.9 16.5 63.5 -2.5 87 87 A A T <<5S- 0 0 84 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.1 -0.139 134.6 -92.6-100.1 34.7 16.5 61.8 0.9 88 88 A G T < 5S+ 0 0 76 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.797 84.0 142.5 60.8 31.0 13.8 64.2 2.0 89 89 A G < - 0 0 12 -5,-1.2 2,-0.4 -4,-0.4 -1,-0.2 -0.710 46.8-130.6-105.1 157.3 16.4 66.6 3.5 90 90 A V - 0 0 53 48,-0.4 50,-2.4 -2,-0.3 51,-1.1 -0.897 20.8-160.5-109.2 130.8 16.5 70.4 3.6 91 91 A A E -d 141 0B 0 -2,-0.4 25,-2.1 49,-0.2 2,-0.3 -0.877 6.0-162.2-115.8 143.3 19.6 72.4 2.5 92 92 A A E -de 142 116B 1 49,-1.9 51,-2.0 -2,-0.4 2,-0.4 -0.849 5.0-158.2-115.9 152.5 20.7 76.0 3.3 93 93 A F E -de 143 117B 4 23,-2.6 25,-2.0 -2,-0.3 2,-1.0 -0.895 4.1-159.1-139.3 104.9 23.4 77.9 1.3 94 94 A I E -de 144 118B 1 49,-1.9 51,-2.4 -2,-0.4 2,-0.5 -0.754 19.6-165.0 -85.4 102.3 25.2 80.9 2.9 95 95 A D E +d 145 0B 4 23,-2.9 51,-0.1 -2,-1.0 49,-0.1 -0.799 29.4 156.7 -96.6 120.7 26.5 82.8 -0.1 96 96 A A S S+ 0 0 27 49,-0.7 -1,-0.1 -2,-0.5 23,-0.1 0.185 77.9 50.4-123.1 13.7 29.2 85.5 0.4 97 97 A E S S- 0 0 75 0, 0.0 49,-0.1 0, 0.0 -2,-0.1 0.518 90.1-138.1-124.6 -19.3 30.5 85.4 -3.2 98 98 A H + 0 0 132 47,-0.1 21,-0.0 1,-0.1 -3,-0.0 0.916 67.3 119.6 58.7 46.1 27.3 85.8 -5.2 99 99 A A + 0 0 72 2,-0.0 -1,-0.1 46,-0.0 2,-0.0 0.500 28.8 126.3-117.1 -9.9 28.5 83.2 -7.7 100 100 A L - 0 0 46 1,-0.1 -5,-0.0 4,-0.0 45,-0.0 -0.274 42.2-160.1 -56.1 129.5 25.8 80.5 -7.4 101 101 A D > - 0 0 84 1,-0.1 4,-2.3 -2,-0.0 3,-0.3 -0.918 3.8-165.5-115.4 103.9 24.2 79.5 -10.7 102 102 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 8,-0.2 0.827 85.2 60.9 -58.4 -36.6 20.8 77.8 -10.1 103 103 A D H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.958 110.1 41.0 -57.5 -49.3 20.5 76.5 -13.6 104 104 A Y H > S+ 0 0 50 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.942 112.1 55.8 -62.1 -46.9 23.7 74.4 -13.1 105 105 A A H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-0.6 0.859 108.5 50.5 -53.1 -34.7 22.5 73.5 -9.6 106 106 A K H ><5S+ 0 0 109 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.905 103.7 54.5 -71.4 -43.7 19.4 72.2 -11.3 107 107 A K H 3<5S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.723 107.7 54.1 -64.1 -17.7 21.2 70.1 -13.9 108 108 A L H 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.696 127.0 -99.7 -87.0 -21.3 22.9 68.5 -10.9 109 109 A G T <<5 + 0 0 45 -3,-1.0 2,-0.5 -4,-0.6 -3,-0.2 0.685 68.4 151.6 109.1 27.2 19.6 67.7 -9.2 110 110 A V < - 0 0 9 -5,-2.3 2,-1.6 -6,-0.2 -1,-0.3 -0.768 47.2-134.1 -92.3 130.9 19.3 70.5 -6.7 111 111 A D > + 0 0 76 -2,-0.5 4,-0.9 1,-0.2 3,-0.1 -0.692 31.5 177.3 -81.5 93.8 15.8 71.5 -5.7 112 112 A T T >4 S+ 0 0 30 -2,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.954 71.7 60.4 -64.6 -50.5 16.5 75.2 -6.1 113 113 A D T 34 S+ 0 0 156 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.840 113.8 38.5 -45.2 -39.4 13.0 76.4 -5.2 114 114 A S T 34 S+ 0 0 77 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.620 91.0 115.2 -88.1 -14.2 13.4 74.7 -1.8 115 115 A L << - 0 0 22 -3,-1.4 2,-0.7 -4,-0.9 -23,-0.2 -0.415 62.8-141.5 -63.3 113.1 17.0 75.8 -1.5 116 116 A L E +e 92 0B 87 -25,-2.1 -23,-2.6 -2,-0.4 2,-0.3 -0.670 28.6 179.0 -76.5 115.2 17.4 78.2 1.4 117 117 A V E -e 93 0B 81 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.881 8.2-179.5-119.0 152.2 19.9 80.7 0.3 118 118 A S E -e 94 0B 35 -25,-2.0 -23,-2.9 -2,-0.3 -2,-0.0 -0.989 17.1-160.9-149.7 145.0 21.2 83.7 2.2 119 119 A Q - 0 0 119 -2,-0.3 -23,-0.1 -25,-0.2 -25,-0.1 -0.816 22.0-161.1-132.1 91.2 23.6 86.5 1.5 120 120 A P - 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G 0 228B 122 12,-0.6 12,-2.3 0, 0.0 2,-1.4 -0.999 61.8-114.7-140.9 138.1 43.6 67.3 -17.2 217 231 A T - 0 0 46 -2,-0.4 10,-0.3 10,-0.3 8,-0.0 -0.538 42.0-152.2 -71.9 93.2 40.8 68.7 -19.3 218 232 A L + 0 0 37 -2,-1.4 8,-0.9 6,-0.1 2,-0.2 -0.160 20.0 172.3 -65.2 160.3 39.5 65.6 -21.0 219 233 A K - 0 0 126 5,-0.2 5,-0.1 6,-0.1 4,-0.1 -0.625 35.0-124.9-144.8-159.2 37.8 65.7 -24.4 220 234 A D S S- 0 0 60 -2,-0.2 3,-0.1 2,-0.1 4,-0.1 -0.051 74.6 -69.6-153.9 37.9 36.5 63.2 -27.0 221 235 A G S S+ 0 0 88 1,-0.4 2,-0.1 2,-0.1 3,-0.0 0.245 126.2 80.2 86.9 -13.1 38.2 64.2 -30.2 222 236 A T S S- 0 0 86 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 0.028 108.0 -69.3-100.4-151.3 36.0 67.2 -30.0 223 237 A N S S- 0 0 143 -3,-0.1 -2,-0.1 -4,-0.1 2,-0.1 0.995 86.1 -64.7 -71.3 -74.1 36.5 70.3 -27.8 224 238 A A - 0 0 27 -5,-0.1 -5,-0.2 -4,-0.1 27,-0.1 -0.487 29.6-162.8 174.4 110.1 36.0 69.1 -24.2 225 239 A V S S- 0 0 54 -2,-0.1 26,-2.6 1,-0.1 2,-0.3 0.497 76.2 -57.6 -77.3 -3.3 33.0 67.7 -22.4 226 240 A G E - H 0 250B 0 -8,-0.9 2,-0.3 24,-0.3 24,-0.2 -0.990 60.9 -83.6 160.1-155.5 34.7 68.4 -19.1 227 241 A N E - H 0 249B 10 22,-1.6 22,-1.8 -2,-0.3 2,-0.4 -0.995 32.5-106.0-153.1 145.6 37.8 67.7 -17.1 228 242 A R E -GH 216 248B 53 -12,-2.3 -13,-3.0 -2,-0.3 -12,-0.6 -0.574 36.3-158.6 -77.9 128.2 39.1 64.9 -14.8 229 243 A T E -GH 214 247B 0 18,-3.6 18,-2.6 -2,-0.4 2,-0.4 -0.813 7.5-156.7-110.2 144.8 39.2 65.8 -11.1 230 244 A R E -GH 213 246B 95 -17,-2.8 -17,-2.3 -2,-0.3 2,-0.4 -0.981 6.9-169.6-123.8 127.3 41.2 64.4 -8.2 231 245 A V E -GH 212 245B 1 14,-3.3 14,-2.3 -2,-0.4 2,-0.5 -0.936 1.9-167.0-116.8 138.7 40.2 64.6 -4.5 232 246 A K E -GH 211 244B 82 -21,-1.6 -21,-2.7 -2,-0.4 2,-1.3 -0.988 16.6-144.2-126.3 121.0 42.5 63.7 -1.7 233 247 A V E +GH 210 243B 1 10,-3.1 9,-1.3 -2,-0.5 10,-0.6 -0.749 24.3 174.3 -87.0 99.2 41.1 63.3 1.7 234 248 A V E S+ 0 0 31 -25,-1.7 2,-0.3 -2,-1.3 -1,-0.2 0.687 70.7 29.8 -77.5 -20.5 44.0 64.7 3.7 235 249 A K E +G 209 0B 46 -26,-1.3 -26,-2.4 -3,-0.1 2,-0.3 -0.955 61.6 160.0-145.8 123.2 42.0 64.4 7.0 236 250 A N E -G 208 0B 4 -2,-0.3 3,-0.4 -28,-0.2 -28,-0.2 -0.861 13.6-177.9-145.3 104.2 39.3 62.0 7.9 237 251 A K S S+ 0 0 85 -30,-2.2 -29,-0.1 -2,-0.3 3,-0.1 0.479 87.0 55.2 -81.0 -0.7 38.4 61.4 11.5 238 252 A C S S+ 0 0 9 -31,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.611 118.5 11.2-105.7 -15.0 35.8 58.8 10.5 239 253 A L S S- 0 0 8 -3,-0.4 -1,-0.2 -214,-0.1 -3,-0.2 -0.968 102.2 -62.0-155.8 162.3 38.0 56.5 8.4 240 254 A A - 0 0 0 -2,-0.3 3,-0.2 -208,-0.2 -3,-0.1 -0.315 65.1-134.2 -52.7 121.8 41.7 55.9 7.7 241 255 A P S S+ 0 0 28 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 0.229 73.2 58.7 -66.4-171.7 43.0 59.2 6.0 242 256 A F + 0 0 146 -9,-1.3 2,-0.3 1,-0.2 -8,-0.2 0.668 67.9 144.3 57.1 27.0 45.1 60.0 3.0 243 257 A K E -H 233 0B 81 -10,-0.6 -10,-3.1 -192,-0.3 2,-0.3 -0.649 31.2-158.1 -90.1 149.4 42.8 58.2 0.5 244 258 A Q E -H 232 0B 103 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.830 10.9-173.0-126.7 165.9 42.4 59.7 -3.0 245 259 A A E -H 231 0B 8 -14,-2.3 -14,-3.3 -2,-0.3 2,-0.4 -0.980 8.5-154.3-157.7 145.4 39.8 59.5 -5.8 246 260 A E E +H 230 0B 55 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.943 21.3 157.7-123.7 145.5 39.5 60.7 -9.4 247 261 A F E -H 229 0B 0 -18,-2.6 -18,-3.6 -2,-0.4 2,-0.4 -0.986 37.1-103.7-160.1 161.8 36.3 61.4 -11.4 248 262 A D E -H 228 0B 5 -2,-0.3 8,-2.4 8,-0.3 2,-0.6 -0.770 19.7-161.7 -97.7 135.4 35.0 63.4 -14.4 249 263 A I E -HI 227 255B 14 -22,-1.8 -22,-1.6 -2,-0.4 6,-0.3 -0.941 16.6-148.9-115.1 107.8 33.0 66.6 -14.2 250 264 A L E >> -HI 226 254B 13 4,-2.5 4,-2.9 -2,-0.6 3,-2.0 -0.511 28.2 -97.3 -78.8 142.4 31.2 67.3 -17.4 251 265 A Y T 34 S- 0 0 127 -26,-2.6 -1,-0.1 1,-0.3 -27,-0.0 -0.349 107.6 -4.6 -58.5 126.4 30.5 70.9 -18.5 252 266 A G T 34 S+ 0 0 27 1,-0.1 -1,-0.3 -2,-0.1 -26,-0.1 0.517 130.6 73.8 66.8 2.2 27.0 71.9 -17.5 253 267 A K T <4 S- 0 0 133 -3,-2.0 2,-0.3 -28,-0.2 -2,-0.2 0.764 80.3-154.5-111.7 -45.9 26.5 68.4 -16.3 254 268 A G E < +I 250 0B 0 -4,-2.9 -4,-2.5 2,-0.1 2,-0.4 -0.775 54.9 4.6 104.4-151.4 28.5 67.9 -13.1 255 269 A I E -I 249 0B 14 -2,-0.3 2,-1.1 -6,-0.3 -6,-0.2 -0.581 69.6-131.9 -76.3 127.5 29.9 64.7 -11.7 256 270 A S > - 0 0 10 -8,-2.4 4,-1.4 -2,-0.4 -8,-0.3 -0.665 21.3-174.5 -83.0 100.4 29.4 61.7 -14.0 257 271 A R H >> S+ 0 0 68 -2,-1.1 4,-1.9 2,-0.2 3,-1.2 0.980 84.7 46.1 -55.8 -60.1 28.0 58.9 -11.9 258 272 A E H >> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.920 107.2 56.5 -48.1 -56.2 28.2 56.3 -14.6 259 273 A G H 3> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.810 110.7 47.1 -47.4 -31.8 31.7 57.3 -15.7 260 274 A S H 4 S+ 0 0 0 -4,-0.4 6,-2.7 -5,-0.3 3,-0.6 0.930 110.6 29.8 -62.4 -48.6 33.9 48.8 -12.5 266 280 A V H >< S+ 0 0 48 -4,-2.0 3,-2.6 1,-0.2 2,-0.3 0.939 112.2 64.2 -77.0 -47.7 37.3 47.7 -13.9 267 281 A D T 3< S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.267 112.1 39.3 -60.1 15.5 39.3 48.5 -10.7 268 282 A Q T < S- 0 0 71 -3,-0.6 -1,-0.3 -2,-0.3 2,-0.2 0.263 110.6-113.2-147.4 7.5 37.2 45.8 -9.0 269 283 A G S < S+ 0 0 60 -3,-2.6 -3,-0.1 2,-0.3 -4,-0.1 -0.007 90.0 106.8 82.9 -31.6 36.9 43.0 -11.6 270 284 A L S S+ 0 0 31 -6,-0.3 11,-0.5 -2,-0.2 2,-0.4 0.791 81.8 44.1 -51.5 -34.1 33.1 43.5 -12.1 271 285 A I S S- 0 0 3 -6,-2.7 -2,-0.3 -7,-0.1 2,-0.3 -0.954 79.2-153.1-116.8 136.6 33.6 45.1 -15.5 272 286 A R E -J 279 0C 46 7,-2.2 7,-2.2 -2,-0.4 2,-0.4 -0.701 6.8-151.1-106.8 158.3 36.1 43.7 -18.0 273 287 A K E -J 278 0C 120 -2,-0.3 2,-2.0 5,-0.2 5,-0.2 -0.774 9.9-177.1-133.0 91.4 38.0 45.4 -20.8 274 288 A S S S- 0 0 89 3,-1.3 3,-0.2 -2,-0.4 4,-0.1 -0.234 73.6 -70.7 -77.8 48.0 38.8 43.2 -23.8 275 289 A G S S- 0 0 48 -2,-2.0 2,-1.2 1,-0.2 -1,-0.2 0.854 116.2 -2.5 62.5 111.0 40.7 46.2 -25.2 276 290 A A S S+ 0 0 51 -3,-0.1 12,-2.8 1,-0.1 2,-0.5 0.025 119.9 94.3 69.7 -31.9 38.6 49.2 -26.4 277 291 A W E - K 0 287C 91 -2,-1.2 -3,-1.3 10,-0.3 2,-0.6 -0.815 61.4-159.8 -99.0 124.9 35.6 47.0 -25.5 278 292 A F E +JK 273 286C 8 8,-3.0 7,-2.4 -2,-0.5 8,-1.7 -0.898 19.7 176.9-102.1 121.5 33.9 47.3 -22.1 279 293 A T E -JK 272 284C 34 -7,-2.2 -7,-2.2 -2,-0.6 2,-0.3 -0.852 15.4-160.8-123.6 159.8 31.9 44.2 -21.2 280 294 A Y E > - K 0 283C 13 3,-3.8 3,-1.8 -2,-0.3 -9,-0.1 -0.931 69.4 -24.7-146.5 120.5 29.9 43.2 -18.1 281 295 A E T 3 S- 0 0 118 -11,-0.5 3,-0.1 -2,-0.3 -10,-0.1 0.850 127.6 -45.3 47.9 42.9 28.8 39.7 -17.1 282 296 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 -0.070 122.1 94.5 97.4 -35.7 28.9 38.5 -20.7 283 297 A E E < S-K 280 0C 152 -3,-1.8 -3,-3.8 1,-0.0 2,-0.4 -0.673 75.4-116.2 -95.3 149.1 27.1 41.4 -22.4 284 298 A Q E -K 279 0C 121 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.686 18.8-170.4 -89.0 131.8 28.9 44.4 -23.9 285 299 A L E - 0 0 9 -7,-2.4 2,-0.3 -2,-0.4 -6,-0.2 0.832 60.5 -69.8 -84.4 -38.9 28.4 47.9 -22.5 286 300 A G E -K 278 0C 11 -8,-1.7 -8,-3.0 9,-0.1 2,-0.6 -0.924 43.6 -82.3 162.9 173.9 30.2 49.7 -25.3 287 301 A Q E S+K 277 0C 99 -2,-0.3 4,-0.3 -10,-0.2 -10,-0.3 -0.924 97.5 10.2-108.3 115.2 33.4 50.4 -27.2 288 302 A G S >> S- 0 0 30 -12,-2.8 4,-1.9 -2,-0.6 3,-1.7 0.384 92.4 -91.2 89.2 132.4 35.4 53.2 -25.6 289 303 A K H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.779 123.6 59.2 -45.7 -36.3 34.6 54.7 -22.1 290 304 A E H 3> S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.840 107.6 45.4 -66.7 -32.5 32.4 57.4 -23.6 291 305 A N H <> S+ 0 0 95 -3,-1.7 4,-3.2 -4,-0.3 -2,-0.2 0.929 112.0 50.6 -74.1 -46.2 30.1 54.8 -25.2 292 306 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.877 112.8 48.7 -57.2 -37.9 30.0 52.7 -22.0 293 307 A R H X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.979 112.5 45.6 -64.5 -56.5 29.1 56.0 -20.2 294 308 A N H X S+ 0 0 38 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.842 113.2 54.6 -55.9 -33.5 26.4 56.8 -22.7 295 309 A F H >X S+ 0 0 58 -4,-3.2 4,-2.6 1,-0.2 3,-0.9 0.978 109.2 43.2 -64.5 -57.5 25.3 53.2 -22.4 296 310 A L H 3< S+ 0 0 1 -4,-2.8 7,-0.3 1,-0.3 -2,-0.2 0.818 108.8 58.7 -59.8 -33.3 24.9 53.2 -18.6 297 311 A V H 3< S+ 0 0 73 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.3 0.823 111.9 42.0 -67.3 -28.8 23.2 56.6 -18.6 298 312 A E H << S+ 0 0 148 -4,-1.0 2,-1.7 -3,-0.9 -2,-0.2 0.950 112.7 52.0 -79.7 -54.4 20.5 55.1 -20.9 299 313 A N X + 0 0 55 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 -0.523 64.1 170.4 -87.0 72.5 20.0 51.8 -19.2 300 314 A A H > S+ 0 0 57 -2,-1.7 4,-2.0 -3,-0.3 5,-0.3 0.904 71.2 66.1 -46.1 -51.0 19.5 52.9 -15.6 301 315 A D H >> S+ 0 0 118 1,-0.3 4,-1.1 -3,-0.2 3,-0.7 0.892 107.3 37.2 -38.1 -62.7 18.5 49.4 -14.6 302 316 A V H 3> S+ 0 0 18 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.839 108.6 64.9 -63.9 -34.1 22.0 47.9 -15.2 303 317 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.3 -7,-0.3 -1,-0.2 0.866 105.5 45.0 -58.0 -36.0 23.7 51.1 -13.9 304 318 A D H X S+ 0 0 38 -4,-1.3 4,-1.6 -5,-0.2 3,-0.8 0.927 108.0 49.1 -65.4 -44.2 26.5 50.2 -8.3 308 322 A K H 3X S+ 0 0 141 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.930 104.0 59.2 -59.3 -49.9 25.1 47.6 -5.8 309 323 A K H 3X S+ 0 0 80 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.679 106.6 47.9 -55.5 -22.8 27.8 45.1 -6.5 310 324 A I H