==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-FEB-11 2Y89 . COMPND 2 MOLECULE: PHOSPHORIBOSYL ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.V.DUE,J.KUPER,A.GEERLOF,M.WILMANNS . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 2 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A M 0 0 223 0, 0.0 3,-0.1 0, 0.0 239,-0.0 0.000 360.0 360.0 360.0 63.9 -44.5 -8.9 -21.1 2 3 A P - 0 0 76 0, 0.0 238,-0.1 0, 0.0 2,-0.1 -0.036 360.0 -90.7 -58.6 153.5 -47.2 -7.2 -18.9 3 4 A L - 0 0 6 236,-0.5 2,-0.4 1,-0.1 215,-0.3 -0.421 43.7-124.8 -55.6 130.2 -46.5 -5.0 -15.9 4 5 A I E -a 218 0A 55 213,-2.6 215,-2.6 -2,-0.1 2,-0.5 -0.710 20.2-145.7 -82.2 128.0 -46.2 -7.1 -12.7 5 6 A L E -a 219 0A 3 -2,-0.4 42,-0.6 213,-0.2 41,-0.5 -0.846 11.0-167.5 -96.3 132.1 -48.6 -5.9 -10.0 6 7 A L E -a 220 0A 0 213,-2.9 215,-2.7 -2,-0.5 42,-0.2 -0.876 11.8-152.1-118.3 92.7 -47.5 -6.3 -6.4 7 8 A P E -a 221 0A 0 0, 0.0 42,-2.8 0, 0.0 2,-0.3 -0.484 23.0-125.9 -61.7 134.3 -50.4 -5.7 -4.1 8 9 A A E -b 49 0A 9 213,-3.1 2,-0.4 40,-0.2 42,-0.2 -0.636 22.8-169.5 -86.6 140.6 -49.1 -4.4 -0.8 9 10 A V E -b 50 0A 3 40,-2.8 42,-2.5 -2,-0.3 2,-0.4 -0.946 14.5-159.7-123.3 108.7 -49.7 -5.9 2.6 10 11 A N E -bC 51 17A 55 7,-0.5 7,-2.3 -2,-0.4 2,-0.5 -0.764 8.3-150.0 -89.8 130.5 -48.5 -3.4 5.2 11 12 A V E +bC 52 16A 0 40,-3.1 42,-2.1 -2,-0.4 43,-1.0 -0.895 24.0 161.8-115.6 123.7 -47.9 -4.9 8.6 12 13 A V E > S- C 0 15A 26 3,-2.8 3,-2.2 -2,-0.5 40,-0.0 -0.999 75.0 -5.0-134.0 134.2 -48.2 -3.3 12.1 13 14 A E T 3 S- 0 0 144 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.827 129.2 -58.1 52.7 36.7 -48.5 -5.1 15.4 14 15 A G T 3 S+ 0 0 19 1,-0.2 19,-0.4 18,-0.0 2,-0.3 0.585 120.7 102.3 73.7 11.0 -48.6 -8.4 13.6 15 16 A R E < S-C 12 0A 121 -3,-2.2 -3,-2.8 17,-0.1 2,-0.3 -0.865 77.4-107.4-126.0 156.1 -51.7 -7.2 11.7 16 17 A A E -CD 11 31A 2 15,-3.1 15,-2.4 -2,-0.3 2,-0.4 -0.677 36.0-165.4 -79.6 138.0 -52.4 -5.9 8.2 17 18 A V E +CD 10 30A 22 -7,-2.3 -7,-0.5 -2,-0.3 2,-0.3 -0.986 12.0 167.4-128.6 134.9 -53.2 -2.2 8.1 18 19 A R E - D 0 29A 42 11,-2.4 11,-3.3 -2,-0.4 2,-0.7 -0.998 37.4-124.1-145.9 147.6 -54.8 -0.2 5.3 19 20 A L E - D 0 28A 66 -2,-0.3 2,-0.3 9,-0.2 207,-0.2 -0.851 44.0-171.2 -86.4 118.7 -56.3 3.2 4.6 20 21 A V E - D 0 27A 11 7,-3.1 7,-2.1 -2,-0.7 2,-0.7 -0.819 26.7-136.4-115.3 152.7 -59.7 2.4 3.2 21 22 A Q E + D 0 26A 79 205,-2.4 5,-0.2 -2,-0.3 2,-0.1 -0.940 30.2 178.5-103.8 110.3 -62.5 4.3 1.6 22 23 A G - 0 0 26 3,-2.5 3,-0.2 -2,-0.7 204,-0.0 -0.384 48.8 -88.4 -93.9-176.4 -65.9 3.3 3.1 23 24 A K S S+ 0 0 197 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.888 128.9 43.3 -58.8 -42.1 -69.2 4.8 2.1 24 25 A A S S- 0 0 113 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.636 125.5 -84.8 -83.8 -18.1 -69.0 7.5 4.8 25 26 A G - 0 0 27 -3,-0.2 -3,-2.5 2,-0.0 -1,-0.3 -0.920 66.9 -20.1 143.5-165.4 -65.3 8.3 4.0 26 27 A S E +D 21 0A 75 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.414 54.9 153.0 -81.5 145.9 -61.8 7.3 4.8 27 28 A Q E -D 20 0A 124 -7,-2.1 -7,-3.1 -2,-0.1 2,-0.6 -0.966 45.5 -98.3-159.4 165.0 -60.7 5.3 7.9 28 29 A T E -D 19 0A 82 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.807 37.3-165.1 -92.6 123.3 -57.9 2.9 8.9 29 30 A E E -D 18 0A 80 -11,-3.3 -11,-2.4 -2,-0.6 2,-0.3 -0.929 3.6-161.9-111.3 129.0 -58.8 -0.7 8.7 30 31 A Y E +D 17 0A 124 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.774 20.9 151.6 -99.3 153.5 -56.8 -3.5 10.2 31 32 A G E -D 16 0A 15 -15,-2.4 -15,-3.1 -2,-0.3 2,-0.3 -0.921 51.6 -59.3-158.3-177.1 -57.1 -7.2 9.3 32 33 A S > - 0 0 20 -2,-0.3 4,-1.9 -17,-0.2 -17,-0.1 -0.582 34.9-144.9 -73.9 134.7 -55.1 -10.4 9.2 33 34 A A H > S+ 0 0 1 -19,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.849 103.5 54.5 -67.3 -35.0 -52.0 -10.2 7.1 34 35 A V H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.948 108.4 48.9 -60.5 -48.6 -52.5 -13.8 6.1 35 36 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.861 111.8 48.1 -57.1 -43.3 -56.1 -13.0 4.9 36 37 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.911 114.7 45.0 -67.0 -44.7 -54.9 -10.0 2.9 37 38 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.955 114.4 47.1 -65.9 -50.2 -52.1 -11.9 1.2 38 39 A L H X S+ 0 0 61 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.856 110.2 55.5 -61.8 -33.2 -54.2 -15.0 0.4 39 40 A G H X S+ 0 0 30 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.923 108.8 46.2 -62.3 -45.7 -57.0 -12.7 -0.9 40 41 A W H X>S+ 0 0 20 -4,-1.9 5,-2.6 2,-0.2 4,-0.7 0.904 111.0 52.9 -63.5 -44.0 -54.5 -11.1 -3.3 41 42 A Q H ><5S+ 0 0 41 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.921 110.8 45.4 -57.9 -48.7 -53.2 -14.5 -4.4 42 43 A R H 3<5S+ 0 0 223 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.1 59.8 -64.9 -33.1 -56.7 -15.8 -5.2 43 44 A D H 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.655 133.5 -93.1 -66.6 -18.0 -57.5 -12.5 -7.0 44 45 A G T <<5 + 0 0 29 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.2 0.456 68.8 158.2 121.1 6.2 -54.5 -13.5 -9.2 45 46 A A < - 0 0 1 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.357 22.2-174.1 -60.6 133.5 -51.4 -11.8 -7.7 46 47 A E S S+ 0 0 133 -41,-0.5 30,-1.8 1,-0.2 2,-0.3 0.540 77.4 34.3 -98.4 -15.4 -48.1 -13.5 -8.7 47 48 A W E - e 0 76A 27 -42,-0.6 2,-0.4 28,-0.2 -1,-0.2 -0.995 65.5-159.4-140.1 142.5 -46.3 -11.2 -6.3 48 49 A I E - e 0 77A 0 28,-2.0 30,-2.8 -2,-0.3 2,-0.8 -0.970 14.2-143.7-117.5 135.9 -47.1 -9.7 -2.9 49 50 A H E -be 8 78A 12 -42,-2.8 -40,-2.8 -2,-0.4 2,-0.5 -0.887 23.7-168.5-100.2 104.9 -45.3 -6.7 -1.5 50 51 A L E -be 9 79A 0 28,-2.8 30,-2.6 -2,-0.8 2,-0.5 -0.843 2.9-169.9-102.7 121.3 -45.0 -7.4 2.2 51 52 A V E -be 10 80A 10 -42,-2.5 -40,-3.1 -2,-0.5 2,-1.0 -0.951 18.7-151.8-117.9 125.3 -43.9 -4.5 4.4 52 53 A D E > +b 11 0A 5 28,-3.0 4,-2.1 -2,-0.5 -40,-0.1 -0.812 17.2 179.1 -89.3 98.3 -43.0 -4.7 8.1 53 54 A L H > S+ 0 0 39 -42,-2.1 4,-0.6 -2,-1.0 6,-0.2 0.770 79.5 56.8 -74.1 -25.3 -43.9 -1.2 9.2 54 55 A D H >4>S+ 0 0 14 -43,-1.0 5,-2.8 2,-0.2 6,-0.8 0.910 110.5 44.0 -66.5 -43.2 -42.8 -1.9 12.8 55 56 A A H >45S+ 0 0 18 1,-0.2 3,-1.7 3,-0.2 -2,-0.2 0.898 104.5 64.1 -66.8 -40.4 -39.4 -2.9 11.6 56 57 A A H 3<5S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.714 116.5 30.0 -55.4 -23.3 -39.4 0.2 9.3 57 58 A F T <<5S- 0 0 112 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.212 109.3-117.4-121.2 13.2 -39.5 2.2 12.5 58 59 A G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 2,-0.2 3,-0.1 0.730 79.4 126.1 58.1 23.8 -37.6 -0.2 14.8 59 60 A R S + 0 0 19 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.251 42.9 142.1-117.3 40.2 -43.2 -9.2 12.8 63 64 A H H > + 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 67.2 45.9 -55.7 -50.7 -40.8 -11.9 11.7 64 65 A E H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 115.4 48.0 -65.6 -35.0 -42.7 -15.0 12.6 65 66 A L H > S+ 0 0 30 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.923 109.2 53.4 -68.5 -46.4 -45.9 -13.6 11.0 66 67 A L H X S+ 0 0 8 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.904 109.6 49.0 -52.6 -45.4 -43.9 -12.6 7.9 67 68 A A H X S+ 0 0 28 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.870 108.7 53.0 -63.5 -39.7 -42.7 -16.2 7.6 68 69 A E H X S+ 0 0 84 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.862 110.0 48.3 -64.2 -38.0 -46.2 -17.6 8.0 69 70 A V H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.962 114.2 45.1 -67.5 -50.5 -47.4 -15.3 5.1 70 71 A V H < S+ 0 0 20 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.8 48.7 -57.9 -41.8 -44.5 -16.4 2.9 71 72 A G H < S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.916 112.3 45.7 -66.6 -47.0 -45.0 -20.0 3.8 72 73 A K H < S+ 0 0 107 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.781 99.3 85.5 -68.9 -31.0 -48.8 -20.1 3.3 73 74 A L < - 0 0 9 -4,-2.1 4,-0.1 -5,-0.2 -35,-0.1 -0.380 61.2-159.3 -69.6 150.4 -48.6 -18.3 -0.1 74 75 A D S S+ 0 0 141 2,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.412 75.9 67.2-101.8 -7.0 -47.9 -20.2 -3.3 75 76 A V S S- 0 0 31 1,-0.1 2,-0.2 -5,-0.0 -28,-0.2 -0.457 95.1 -76.9-108.5-176.9 -46.7 -17.1 -5.0 76 77 A Q E -e 47 0A 104 -30,-1.8 -28,-2.0 -2,-0.2 2,-0.4 -0.545 34.9-150.9 -94.4 147.2 -43.7 -14.9 -4.5 77 78 A V E -e 48 0A 2 -30,-0.2 22,-1.8 -2,-0.2 21,-1.0 -0.953 7.1-159.8-118.8 130.9 -43.1 -12.3 -1.8 78 79 A E E -ef 49 99A 0 -30,-2.8 -28,-2.8 -2,-0.4 2,-0.4 -0.963 23.8-155.9-101.8 119.5 -41.0 -9.1 -1.9 79 80 A L E +ef 50 100A 4 20,-3.0 22,-2.7 -2,-0.6 2,-0.3 -0.831 17.7 168.9-106.7 134.9 -40.3 -8.2 1.7 80 81 A S E +ef 51 101A 20 -30,-2.6 -28,-3.0 -2,-0.4 -24,-0.2 -0.920 21.8 88.8-137.1 161.2 -39.5 -4.7 2.9 81 82 A G S S- 0 0 8 20,-0.6 -25,-0.1 -2,-0.3 3,-0.1 0.502 90.5 -1.6 116.6 109.0 -39.0 -2.7 6.1 82 83 A G S S+ 0 0 14 1,-0.2 2,-1.1 -26,-0.2 3,-0.3 0.694 71.8 152.7 65.1 23.1 -36.1 -2.0 8.4 83 84 A I + 0 0 7 18,-0.4 20,-0.5 1,-0.2 22,-0.3 -0.738 20.6 130.1 -86.9 99.5 -33.7 -4.2 6.4 84 85 A R + 0 0 74 -2,-1.1 2,-0.2 1,-0.2 -1,-0.2 0.568 56.8 18.8-132.7 -23.2 -30.5 -2.3 7.4 85 86 A D S > S- 0 0 79 -3,-0.3 4,-2.7 27,-0.0 5,-0.2 -0.843 87.9 -79.8-145.8-178.8 -27.8 -4.6 8.6 86 87 A D H > S+ 0 0 109 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.876 124.4 48.9 -53.5 -44.2 -26.6 -8.2 8.6 87 88 A E H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 115.4 41.4 -67.9 -46.4 -28.9 -9.3 11.4 88 89 A S H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.847 115.0 52.2 -73.5 -33.2 -32.1 -7.7 9.9 89 90 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.958 110.3 47.5 -64.9 -50.7 -31.2 -8.9 6.4 90 91 A A H X S+ 0 0 59 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.915 112.3 50.7 -53.4 -45.5 -30.7 -12.5 7.6 91 92 A A H < S+ 0 0 37 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.912 110.2 49.3 -62.8 -43.7 -34.0 -12.3 9.4 92 93 A A H ><>S+ 0 0 8 -4,-2.3 3,-1.2 1,-0.2 5,-0.7 0.924 113.9 44.6 -61.1 -45.9 -35.8 -11.0 6.3 93 94 A L H ><5S+ 0 0 33 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.847 102.9 67.1 -68.2 -30.1 -34.3 -13.8 4.1 94 95 A A T 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.628 85.3 71.3 -67.2 -12.7 -35.1 -16.3 6.8 95 96 A T T < 5S- 0 0 8 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.672 112.2-120.3 -71.0 -16.8 -38.8 -15.7 6.1 96 97 A G T < 5 + 0 0 55 -3,-2.2 -19,-0.2 1,-0.2 -2,-0.1 0.574 56.0 161.6 84.8 12.1 -38.2 -17.5 2.9 97 98 A C < - 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0 0 19 -6,-1.0 -5,-0.2 1,-0.3 2,-0.1 0.334 360.0 -87.4-130.8 4.6 -29.9 11.7 1.7 146 150 A G - 0 0 22 -7,-0.2 -7,-2.8 4,-0.0 -1,-0.3 -0.215 52.6 -52.7 110.3 161.2 -28.0 12.4 -1.5 147 151 A D B > -J 138 0A 26 -9,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.542 44.6-138.4 -71.9 133.6 -28.4 13.2 -5.2 148 152 A L H > S+ 0 0 0 -11,-3.0 4,-3.1 -2,-0.2 5,-0.2 0.945 101.0 45.3 -60.0 -51.7 -30.7 10.6 -6.9 149 153 A W H > S+ 0 0 61 -12,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.885 113.9 50.5 -62.9 -41.9 -28.7 10.3 -10.1 150 154 A D H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 115.6 40.9 -57.0 -52.3 -25.4 10.1 -8.2 151 155 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.876 113.1 54.8 -69.9 -37.6 -26.7 7.4 -5.9 152 156 A L H X S+ 0 0 2 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.916 109.2 47.7 -58.9 -45.8 -28.4 5.6 -8.8 153 157 A E H X S+ 0 0 120 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 111.6 50.2 -62.6 -42.4 -25.2 5.4 -10.7 154 158 A R H X S+ 0 0 69 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.933 114.6 43.9 -60.8 -47.2 -23.2 4.1 -7.7 155 159 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.904 111.8 52.7 -67.7 -42.3 -25.8 1.4 -7.1 156 160 A D H ><5S+ 0 0 38 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.903 111.9 46.1 -57.5 -43.9 -26.1 0.5 -10.8 157 161 A S H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.733 106.0 60.2 -72.0 -23.7 -22.2 0.1 -10.9 158 162 A E T 3<5S- 0 0 51 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.541 123.3-107.3 -78.7 -8.4 -22.4 -1.9 -7.7 159 163 A G T < 5 - 0 0 46 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.657 47.5-176.3 92.4 19.6 -24.6 -4.4 -9.6 160 164 A C < - 0 0 6 -5,-2.5 -1,-0.2 1,-0.2 31,-0.1 -0.282 14.3-154.5 -51.8 125.4 -28.0 -3.5 -8.0 161 165 A S + 0 0 24 -37,-0.7 2,-0.3 -40,-0.5 -1,-0.2 0.716 66.2 4.7 -79.8 -23.4 -30.4 -6.0 -9.5 162 166 A R - 0 0 18 -38,-0.4 -36,-2.5 29,-0.2 2,-0.4 -0.985 58.5-147.3-164.8 145.6 -33.6 -4.0 -9.1 163 167 A F E -hk 126 193A 0 29,-2.3 31,-3.3 -2,-0.3 2,-0.6 -0.970 5.4-152.9-125.3 140.2 -35.0 -0.6 -7.9 164 168 A V E -hk 127 194A 6 -38,-2.8 -36,-3.5 -2,-0.4 2,-0.6 -0.945 22.4-157.8-110.3 114.7 -38.2 0.4 -6.3 165 169 A V E +hk 128 195A 2 29,-2.8 31,-2.2 -2,-0.6 2,-0.4 -0.832 16.4 172.8-108.8 115.6 -39.1 4.0 -7.1 166 170 A T E -hk 129 196A 24 -38,-2.6 -36,-3.2 -2,-0.6 2,-0.7 -0.959 25.3-145.4-115.1 134.3 -41.3 6.3 -5.1 167 171 A D E +h 130 0A 28 29,-0.6 -36,-0.2 -2,-0.4 31,-0.1 -0.907 21.4 175.8 -90.2 111.3 -41.9 9.9 -5.7 168 172 A I + 0 0 78 -38,-2.2 -37,-0.2 -2,-0.7 -1,-0.1 0.215 28.1 136.5-102.9 12.8 -42.4 11.3 -2.1 169 173 A T S > S- 0 0 31 -39,-0.7 3,-2.7 1,-0.1 2,-0.6 -0.392 71.5 -97.0 -60.4 133.6 -42.7 15.0 -3.1 170 174 A K T 3 S- 0 0 81 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.387 108.2 -7.5 -57.8 103.6 -45.5 16.7 -1.3 171 175 A D T > S+ 0 0 76 -2,-0.6 3,-0.7 -3,-0.1 -1,-0.3 0.710 98.6 127.3 79.0 22.7 -48.4 16.6 -3.8 172 176 A G T < S+ 0 0 31 -3,-2.7 3,-0.2 1,-0.2 -2,-0.1 0.659 73.6 45.9 -84.6 -20.0 -46.1 15.2 -6.5 173 177 A T T > S+ 0 0 33 -4,-0.4 3,-0.8 1,-0.1 -1,-0.2 -0.047 82.5 112.2-105.3 27.6 -48.4 12.2 -7.3 174 178 A L T < S+ 0 0 69 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.859 81.6 35.5 -72.3 -40.3 -51.5 14.4 -7.3 175 179 A G T 3 S- 0 0 91 1,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.093 133.7 -73.2 -98.4 21.3 -52.3 14.2 -11.0 176 180 A G S < S- 0 0 9 -3,-0.8 -1,-0.4 2,-0.0 23,-0.1 -0.652 81.2 -21.0 115.1-175.9 -51.2 10.5 -11.1 177 181 A P - 0 0 20 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.281 65.3-108.7 -69.4 153.1 -47.8 8.7 -11.1 178 182 A N > + 0 0 37 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.687 40.6 172.0 -87.0 91.0 -44.6 10.4 -12.0 179 183 A L H > S+ 0 0 54 -2,-1.3 4,-3.1 1,-0.2 5,-0.3 0.812 75.2 60.2 -69.9 -33.3 -43.8 8.9 -15.3 180 184 A D H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 109.5 42.3 -57.7 -46.9 -40.9 11.3 -15.9 181 185 A L H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.927 114.7 50.3 -68.3 -47.1 -39.1 10.1 -12.8 182 186 A L H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.926 116.8 40.7 -53.7 -50.1 -39.9 6.4 -13.6 183 187 A A H X S+ 0 0 9 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.819 112.1 58.7 -69.5 -33.0 -38.6 6.8 -17.1 184 188 A G H X S+ 0 0 7 -4,-2.2 4,-0.7 -5,-0.3 -2,-0.2 0.963 112.4 37.7 -57.9 -54.1 -35.7 8.9 -15.7 185 189 A V H >X S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 4,-0.6 0.938 114.9 53.7 -65.8 -48.8 -34.5 6.2 -13.4 186 190 A A H >< S+ 0 0 9 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.816 106.8 52.9 -57.7 -35.0 -35.2 3.3 -15.9 187 191 A D H 3< S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.703 109.0 50.8 -71.5 -21.6 -33.2 5.1 -18.6 188 192 A R H << S+ 0 0 134 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 0.449 109.9 47.0-101.3 -2.1 -30.1 5.4 -16.3 189 193 A T << - 0 0 9 -4,-0.6 4,-0.1 -3,-0.5 -36,-0.1 -0.969 63.1-142.6-137.0 153.3 -29.9 1.8 -15.1 190 194 A D S S+ 0 0 158 -2,-0.3 -1,-0.1 -34,-0.1 -4,-0.1 0.567 79.4 97.0 -84.6 -12.1 -29.9 -1.7 -16.6 191 195 A A S S- 0 0 11 -31,-0.1 -29,-0.2 1,-0.1 -2,-0.2 -0.510 85.3-104.0 -79.1 143.8 -31.8 -2.9 -13.6 192 196 A P - 0 0 34 0, 0.0 -29,-2.3 0, 0.0 2,-0.4 -0.304 33.0-136.6 -62.9 153.9 -35.6 -3.2 -13.7 193 197 A V E -kl 163 216A 0 22,-2.8 24,-2.1 -31,-0.2 25,-1.2 -0.951 8.0-155.5-118.4 132.0 -37.7 -0.6 -11.9 194 198 A I E -kl 164 218A 0 -31,-3.3 -29,-2.8 -2,-0.4 2,-0.3 -0.951 19.3-135.4-106.2 123.6 -40.7 -1.2 -9.7 195 199 A A E -kl 165 219A 3 23,-3.4 25,-3.5 -2,-0.5 2,-0.4 -0.595 24.3-178.6 -79.9 136.0 -43.1 1.7 -9.4 196 200 A S E +kl 166 220A 30 -31,-2.2 -29,-0.6 -2,-0.3 25,-0.1 -0.999 43.7 10.5-136.5 132.7 -44.5 2.5 -5.9 197 201 A G S S+ 0 0 38 23,-0.5 3,-0.1 -2,-0.4 -29,-0.1 -0.106 84.6 72.1 93.9 169.0 -46.9 5.3 -5.0 198 202 A G + 0 0 30 1,-0.2 2,-0.7 -31,-0.1 -1,-0.0 0.536 64.1 131.5 64.2 9.3 -49.2 7.7 -6.9 199 203 A V + 0 0 21 1,-0.2 25,-0.3 -23,-0.1 -1,-0.2 -0.845 7.2 141.4 -95.7 116.5 -51.6 5.0 -8.0 200 204 A S + 0 0 58 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.431 66.2 23.8-124.9 -5.8 -55.2 5.8 -7.3 201 205 A S S > S- 0 0 16 1,-0.1 4,-1.3 28,-0.0 -1,-0.2 -0.925 78.1-103.4-151.1 170.1 -56.9 4.3 -10.4 202 206 A L H > S+ 0 0 35 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.874 120.3 59.9 -63.1 -40.1 -56.7 1.8 -13.2 203 207 A D H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 101.3 54.0 -56.3 -37.8 -55.7 4.6 -15.5 204 208 A D H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 110.2 46.5 -63.8 -41.6 -52.7 5.2 -13.3 205 209 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.895 110.8 51.9 -65.5 -43.8 -51.7 1.6 -13.7 206 210 A R H X S+ 0 0 104 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.868 109.2 51.9 -59.0 -38.0 -52.2 1.8 -17.5 207 211 A A H >< S+ 0 0 27 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.921 109.5 46.9 -66.8 -48.0 -50.0 4.8 -17.5 208 212 A I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.861 105.1 63.5 -57.4 -37.4 -47.2 3.1 -15.6 209 213 A A H >< S+ 0 0 22 -4,-2.2 3,-1.3 1,-0.3 4,-0.3 0.706 86.4 71.5 -63.8 -20.3 -47.7 0.1 -18.1 210 214 A T T << S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.572 96.1 54.9 -71.0 -6.7 -46.6 2.4 -21.0 211 215 A L T X >S+ 0 0 11 -3,-1.9 5,-1.9 -4,-0.1 3,-1.0 0.286 72.9 101.3-110.7 7.3 -43.1 2.2 -19.6 212 216 A T G X 5S+ 0 0 49 -3,-1.3 3,-2.0 1,-0.3 -1,-0.1 0.935 83.4 51.0 -58.5 -48.2 -42.7 -1.6 -19.5 213 217 A H G 3 5S+ 0 0 154 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.617 108.1 57.2 -64.5 -11.4 -40.6 -1.6 -22.7 214 218 A R G < 5S- 0 0 102 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.368 132.5 -84.4-102.1 2.1 -38.5 1.1 -20.9 215 219 A G T < 5S+ 0 0 28 -3,-2.0 -22,-2.8 1,-0.3 2,-0.9 0.562 83.3 134.3 110.0 10.7 -37.6 -1.0 -17.9 216 220 A V E < + l 0 193A 1 -5,-1.9 -1,-0.3 -24,-0.2 -22,-0.2 -0.834 26.4 176.9 -92.5 104.0 -40.6 -0.6 -15.5 217 221 A E E - 0 0 53 -24,-2.1 -213,-2.6 -2,-0.9 2,-0.3 0.814 54.0 -17.9 -80.4 -35.8 -41.1 -4.1 -14.5 218 222 A G E -al 4 194A 0 -25,-1.2 -23,-3.4 -215,-0.3 2,-0.4 -0.941 50.8-122.9-160.6 176.8 -43.9 -3.7 -12.0 219 223 A A E -al 5 195A 0 -215,-2.6 -213,-2.9 -2,-0.3 2,-0.4 -0.997 18.8-137.2-136.7 130.4 -46.0 -1.5 -9.7 220 224 A I E -al 6 196A 9 -25,-3.5 2,-0.5 -2,-0.4 -23,-0.5 -0.718 22.2-153.8 -78.2 134.6 -46.7 -1.9 -6.1 221 225 A V E +a 7 0A 0 -215,-2.7 -213,-3.1 -2,-0.4 -172,-0.2 -0.958 23.8 160.8-118.0 117.4 -50.4 -1.3 -5.4 222 226 A G > - 0 0 29 -2,-0.5 3,-2.0 -215,-0.2 4,-0.2 0.502 63.2 -8.1-101.1-120.4 -51.3 -0.0 -1.9 223 227 A K G > S+ 0 0 137 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.671 113.7 79.9 -62.5 -20.5 -54.4 1.7 -0.6 224 228 A A G > >S+ 0 0 5 -25,-0.3 3,-1.3 1,-0.3 5,-0.5 0.827 86.7 61.3 -55.0 -31.5 -55.8 2.2 -4.1 225 229 A L G < 5S+ 0 0 16 -3,-2.0 -1,-0.3 1,-0.2 3,-0.2 0.693 107.3 44.9 -67.0 -17.4 -56.9 -1.4 -3.8 226 230 A Y G < 5S+ 0 0 41 -3,-2.4 -205,-2.4 -207,-0.2 -1,-0.2 0.282 87.3 90.2-107.5 8.7 -59.0 -0.3 -0.8 227 231 A A T < 5S- 0 0 25 -3,-1.3 -1,-0.1 -4,-0.2 -2,-0.1 0.359 94.8-122.1 -90.8 4.6 -60.5 2.8 -2.4 228 232 A R T 5S+ 0 0 174 -3,-0.2 3,-0.1 2,-0.2 -3,-0.1 0.802 88.3 103.3 57.4 34.9 -63.5 1.0 -3.7 229 233 A R S - 0 0 64 -2,-0.3 4,-2.4 -3,-0.1 5,-0.1 -0.644 33.0-110.7-100.0 162.0 -60.4 -4.8 -7.7 232 236 A L H > S+ 0 0 1 -2,-0.2 4,-3.3 2,-0.2 5,-0.2 0.908 119.4 53.2 -58.6 -44.2 -57.1 -6.6 -8.1 233 237 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.904 110.4 47.6 -57.5 -40.4 -58.5 -8.8 -10.9 234 238 A Q H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.903 113.5 48.7 -64.4 -41.8 -59.6 -5.6 -12.7 235 239 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.906 110.9 49.3 -62.6 -44.7 -56.2 -4.1 -12.2 236 240 A L H X S+ 0 0 18 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.862 113.5 47.0 -64.5 -35.9 -54.4 -7.3 -13.4 237 241 A A H X S+ 0 0 45 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.819 105.7 59.6 -74.2 -33.1 -56.6 -7.3 -16.5 238 242 A A H < S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 110.3 41.0 -67.3 -31.2 -56.1 -3.6 -17.2 239 243 A V H < S+ 0 0 15 -4,-1.3 -236,-0.5 2,-0.1 -1,-0.2 0.612 108.4 57.6 -94.1 -15.7 -52.3 -4.0 -17.5 240 244 A R H < 0 0 154 -4,-0.8 -2,-0.2 -3,-0.2 -3,-0.1 0.870 360.0 360.0 -83.6 -36.0 -52.2 -7.3 -19.5 241 245 A D < 0 0 198 -4,-1.5 -3,-0.2 -239,-0.0 -2,-0.1 0.720 360.0 360.0-109.3 360.0 -54.2 -5.9 -22.4