==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 05-DEC-11 3UXD . COMPND 2 MOLECULE: KEMP ELIMINASE KE59 R1 7/10H; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.KHERSONSKY,G.KISS,D.ROETHLISBERGER,O.DYM,S.ALBECK,K.N.HOUK . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 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 . 43 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 3 1 0 2 6 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 P 0 0 58 0, 0.0 135,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 166.5 -6.9 0.1 2.1 2 3 A R - 0 0 78 133,-1.3 2,-0.6 1,-0.1 135,-0.1 -0.167 360.0 -76.8 -62.5 171.2 -5.3 0.0 -1.4 3 4 A Y + 0 0 241 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.686 68.9 172.1 -73.4 118.1 -5.9 -2.9 -3.9 4 5 A L - 0 0 41 -2,-0.6 2,-0.3 -3,-0.1 131,-0.0 -0.688 20.7-168.0-125.7 172.0 -3.6 -5.7 -2.5 5 6 A K >> + 0 0 183 -2,-0.2 4,-1.6 0, 0.0 3,-0.6 -0.877 52.4 12.3-151.4 169.1 -3.0 -9.4 -3.0 6 7 A G H 3> S- 0 0 58 -2,-0.3 4,-2.0 1,-0.2 3,-0.1 -0.043 121.4 -14.2 60.3-145.4 -1.1 -12.2 -1.2 7 8 A A H 3> S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.841 134.8 57.1 -65.5 -33.4 0.1 -11.9 2.4 8 9 A L H <> S+ 0 0 18 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.935 107.5 48.5 -64.8 -38.6 -0.4 -8.1 2.4 9 10 A K H X S+ 0 0 60 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.910 113.7 49.6 -60.7 -39.4 -4.0 -8.5 1.5 10 11 A D H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 109.8 47.5 -66.0 -43.7 -4.2 -11.2 4.3 11 12 A V H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.881 111.7 51.7 -70.2 -35.1 -2.6 -9.1 7.0 12 13 A V H X S+ 0 0 6 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.944 109.5 48.3 -66.5 -44.7 -4.8 -6.2 6.2 13 14 A Q H X S+ 0 0 106 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.890 113.3 48.5 -61.1 -42.4 -8.0 -8.2 6.4 14 15 A L H < S+ 0 0 74 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.865 109.6 53.7 -65.6 -35.4 -6.8 -9.7 9.7 15 16 A S H >< S+ 0 0 3 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.856 101.1 58.8 -68.9 -31.0 -6.0 -6.1 10.9 16 17 A L H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.3 43.9 -66.7 -28.5 -9.4 -5.0 10.1 17 18 A R T 3< S+ 0 0 95 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.263 81.6 134.5 -95.3 10.0 -10.8 -7.6 12.5 18 19 A R < - 0 0 15 -3,-1.5 2,-0.1 1,-0.1 -3,-0.1 -0.401 60.5-121.0 -69.5 123.2 -8.2 -6.9 15.3 19 20 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.450 24.9-133.8 -67.1 139.9 -10.1 -6.7 18.6 20 21 A S - 0 0 47 -2,-0.1 2,-0.3 1,-0.1 97,-0.1 -0.391 20.8-144.2 -84.2 159.3 -9.7 -3.3 20.3 21 22 A L - 0 0 30 95,-0.3 2,-0.5 -2,-0.1 102,-0.1 -0.774 7.9-127.0-121.0 176.7 -8.9 -3.1 24.0 22 23 A R + 0 0 190 -2,-0.3 2,-0.3 2,-0.0 98,-0.0 -0.986 44.1 133.8-123.3 122.4 -9.6 -0.9 27.1 23 24 A A - 0 0 28 -2,-0.5 2,-0.6 2,-0.0 101,-0.1 -0.965 49.2-115.0-158.4 161.3 -6.7 0.4 29.2 24 25 A S - 0 0 105 -2,-0.3 2,-0.2 100,-0.1 99,-0.1 -0.908 28.1-131.5-105.2 119.8 -5.7 3.7 30.8 25 26 A R + 0 0 25 -2,-0.6 98,-0.1 1,-0.1 99,-0.1 -0.441 25.2 178.8 -63.4 138.6 -2.6 5.3 29.6 26 27 A Q + 0 0 180 -2,-0.2 -1,-0.1 97,-0.1 -2,-0.0 -0.574 53.1 79.6-141.8 67.5 -0.3 6.3 32.4 27 28 A R S S- 0 0 40 -2,-0.1 98,-0.1 99,-0.1 73,-0.0 -0.880 76.2-116.4-170.3 134.0 2.6 7.7 30.5 28 29 A P - 0 0 103 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.285 43.1 -98.1 -61.0 164.1 3.3 11.1 28.8 29 30 A I - 0 0 54 76,-0.0 2,-0.6 124,-0.0 98,-0.1 -0.844 42.6-163.7 -77.8 123.4 3.8 11.0 25.0 30 31 A I - 0 0 45 -2,-0.7 2,-0.3 76,-0.1 76,-0.3 -0.969 21.8-122.0-108.9 117.3 7.6 11.1 24.8 31 32 A S > - 0 0 53 -2,-0.6 4,-1.7 1,-0.2 5,-0.1 -0.391 22.7-169.5 -68.0 120.1 8.6 12.1 21.3 32 33 A L H > S+ 0 0 11 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.923 92.9 53.8 -62.6 -47.2 10.8 9.7 19.2 33 34 A R H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 109.4 45.8 -56.1 -48.9 11.2 12.4 16.6 34 35 A E H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 111.8 51.0 -64.8 -38.8 12.4 15.0 19.2 35 36 A R H X S+ 0 0 62 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.880 108.1 53.4 -70.4 -36.6 14.9 12.5 20.9 36 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.946 109.7 47.8 -56.8 -50.0 16.4 11.6 17.5 37 38 A L H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.862 112.0 50.6 -58.8 -37.8 17.0 15.4 16.8 38 39 A E H X S+ 0 0 76 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.909 108.5 50.1 -67.6 -43.9 18.5 15.7 20.2 39 40 A F H <>S+ 0 0 13 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.906 110.7 51.5 -60.7 -40.7 20.8 12.7 19.7 40 41 A N H ><5S+ 0 0 27 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.937 108.6 50.7 -60.7 -44.3 21.8 14.3 16.3 41 42 A K H 3<5S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 112.9 46.6 -60.1 -35.4 22.6 17.6 18.2 42 43 A R T 3<5S- 0 0 147 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.386 111.2-121.6 -89.6 2.4 24.8 15.7 20.7 43 44 A N T < 5 + 0 0 140 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.883 65.6 138.0 54.6 43.0 26.6 13.7 18.0 44 45 A I < - 0 0 69 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.985 61.0-106.4-119.9 129.8 25.5 10.4 19.4 45 46 A T - 0 0 40 201,-0.5 2,-0.8 -2,-0.5 183,-0.1 -0.260 29.2-145.4 -57.1 128.5 24.4 7.6 17.1 46 47 A A + 0 0 0 181,-0.3 183,-2.4 30,-0.1 2,-0.5 -0.856 21.6 177.6-104.9 99.7 20.6 7.0 17.2 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.5 28,-0.4 31,-1.0 -0.879 18.9-153.6-107.9 126.8 19.6 3.4 16.8 48 49 A I E -ab 230 78A 3 181,-2.5 183,-2.5 -2,-0.5 2,-0.3 -0.910 17.6-150.9 -97.1 109.9 16.0 2.3 17.0 49 50 A A E -ab 231 79A 0 29,-1.5 31,-2.6 -2,-0.7 2,-0.4 -0.615 7.1-143.9 -83.4 136.0 16.0 -1.4 18.2 50 51 A V E - b 0 80A 1 181,-2.4 2,-0.6 -2,-0.3 31,-0.2 -0.800 2.8-151.7-101.1 137.3 13.1 -3.6 17.0 51 52 A Y E + b 0 81A 2 29,-3.0 31,-2.3 -2,-0.4 2,-0.3 -0.944 34.3 147.3-103.2 118.4 11.5 -6.3 19.1 52 53 A K - 0 0 15 -2,-0.6 37,-0.1 29,-0.1 3,-0.1 -0.903 34.7-165.1-155.3 125.0 10.1 -9.0 16.9 53 54 A R S S+ 0 0 60 35,-0.6 8,-3.1 -2,-0.3 2,-0.3 0.740 80.2 11.1 -74.4 -30.4 9.8 -12.8 17.6 54 55 A K + 0 0 76 34,-1.4 -1,-0.1 6,-0.2 5,-0.1 -0.965 63.9 167.2-148.9 152.2 9.0 -13.8 14.0 55 56 A S B > -I 58 0B 11 3,-0.6 3,-1.1 -2,-0.3 33,-0.1 -0.969 48.9-107.6-163.2 164.0 9.2 -12.2 10.5 56 57 A P T 3 S+ 0 0 57 0, 0.0 32,-0.1 0, 0.0 364,-0.1 0.592 119.1 51.5 -68.3 -11.0 9.0 -13.1 6.9 57 58 A S T 3 S+ 0 0 3 2,-0.1 2,-0.3 363,-0.0 176,-0.1 -0.125 112.6 27.9-119.3 35.3 12.8 -12.3 6.8 58 59 A G B < S-I 55 0B 8 -3,-1.1 -3,-0.6 359,-0.2 2,-0.2 -0.986 80.1 -87.2-178.0 163.1 14.2 -14.3 9.6 59 60 A L - 0 0 18 -2,-0.3 -2,-0.1 1,-0.1 389,-0.0 -0.610 58.8 -86.3 -80.8 155.1 14.0 -17.3 11.9 60 61 A D - 0 0 107 -2,-0.2 2,-0.5 -6,-0.1 -6,-0.2 -0.255 40.3-165.2 -65.0 140.1 11.9 -17.2 15.1 61 62 A V - 0 0 24 -8,-3.1 2,-0.7 -9,-0.1 -1,-0.0 -0.973 4.8-160.8-128.0 119.5 13.6 -15.9 18.2 62 63 A E + 0 0 101 -2,-0.5 2,-0.3 2,-0.0 -9,-0.0 -0.901 32.5 141.3 -97.9 116.2 12.0 -16.5 21.6 63 64 A R - 0 0 74 -2,-0.7 -2,-0.1 0, 0.0 174,-0.0 -0.984 57.2 -86.2-148.8 156.3 13.4 -14.0 24.2 64 65 A D > - 0 0 92 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.476 28.9-152.7 -73.2 129.7 11.9 -12.0 27.1 65 66 A P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.902 94.1 47.8 -69.6 -40.7 10.5 -8.6 26.0 66 67 A I H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.947 111.8 49.3 -65.1 -46.9 11.1 -6.9 29.3 67 68 A E H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 114.3 47.9 -56.8 -42.8 14.7 -8.1 29.6 68 69 A Y H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 3,-0.3 0.957 113.2 45.5 -61.3 -55.7 15.2 -6.9 26.0 69 70 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.881 112.2 51.2 -59.1 -38.2 13.6 -3.5 26.5 70 71 A K H < S+ 0 0 124 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.849 110.8 48.3 -73.9 -32.4 15.4 -2.8 29.7 71 72 A F H >< S+ 0 0 47 -4,-1.7 3,-1.2 -5,-0.3 4,-0.3 0.938 113.7 47.3 -67.1 -47.3 18.7 -3.7 28.2 72 73 A M H >X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-1.5 0.749 92.8 79.0 -66.0 -25.0 18.0 -1.4 25.2 73 74 A E T 3< S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.794 94.1 50.5 -49.5 -34.7 16.8 1.5 27.5 74 75 A R T <4 S+ 0 0 73 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.667 126.2 18.1 -77.5 -17.8 20.5 2.3 28.1 75 76 A Y T <4 S+ 0 0 77 -3,-1.5 -28,-0.4 -4,-0.3 -2,-0.2 0.695 100.8 82.7-129.8 -39.4 21.7 2.4 24.4 76 77 A A < - 0 0 1 -4,-2.8 -28,-0.2 1,-0.1 3,-0.1 -0.512 63.6-139.6 -84.6 152.4 18.9 2.8 21.9 77 78 A V S S- 0 0 0 -30,-2.5 2,-0.3 1,-0.2 -29,-0.2 0.720 84.3 -25.8 -79.1 -25.1 17.2 6.1 20.9 78 79 A G E -b 48 0A 0 -31,-1.0 -29,-1.5 26,-0.1 2,-0.4 -0.969 65.1-113.3-172.3 175.3 13.9 4.3 20.9 79 80 A L E -bc 49 106A 1 26,-2.6 28,-3.1 -2,-0.3 2,-0.5 -0.970 9.3-152.9-126.4 143.6 12.2 1.0 20.5 80 81 A V E -bc 50 107A 1 -31,-2.6 -29,-3.0 -2,-0.4 2,-0.5 -0.966 15.4-162.8-111.1 131.5 9.9 -0.5 17.9 81 82 A I E -bc 51 108A 0 26,-2.6 28,-2.4 -2,-0.5 2,-0.3 -0.952 14.1-135.3-119.0 122.9 7.6 -3.2 19.1 82 83 A L E + c 0 109A 0 -31,-2.3 9,-0.8 -2,-0.5 28,-0.2 -0.558 27.2 169.7 -69.6 127.3 5.8 -5.6 16.7 83 84 A T + 0 0 0 26,-2.5 2,-0.3 -2,-0.3 9,-0.2 0.361 41.8 111.8-117.2 5.1 2.2 -6.1 17.7 84 85 A E - 0 0 2 25,-0.8 6,-2.8 1,-0.1 4,-0.3 -0.601 50.4-164.9 -78.5 135.9 1.1 -7.9 14.5 85 86 A E > + 0 0 98 -2,-0.3 4,-0.8 4,-0.3 -1,-0.1 0.854 68.3 49.8 -93.9 -41.9 0.4 -11.5 15.5 86 87 A K T 4 S+ 0 0 110 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.912 124.7 20.7 -71.2 -44.9 0.1 -13.8 12.5 87 88 A Y T 4 S+ 0 0 58 1,-0.1 -1,-0.2 -33,-0.1 -2,-0.1 0.615 137.4 30.1-104.0 -16.6 3.4 -13.0 10.6 88 89 A F T 4 S- 0 0 10 -4,-0.3 -34,-1.4 -33,-0.1 -35,-0.6 0.392 91.4-131.4-123.3 -6.1 5.5 -11.4 13.4 89 90 A N < + 0 0 39 -4,-0.8 -4,-0.3 -36,-0.2 -3,-0.1 0.751 57.0 146.4 55.7 26.4 4.1 -13.3 16.5 90 91 A G - 0 0 5 -6,-2.8 2,-0.3 -36,-0.1 -7,-0.3 -0.276 28.2-166.8 -74.6 169.8 3.8 -9.9 18.3 91 92 A S > - 0 0 25 -9,-0.8 4,-1.3 -3,-0.1 3,-0.5 -0.977 37.1-118.0-155.3 155.9 1.1 -9.1 20.8 92 93 A Y H > S+ 0 0 16 -2,-0.3 4,-2.4 -9,-0.2 5,-0.2 0.794 114.1 67.7 -63.3 -22.8 -0.3 -6.0 22.5 93 94 A E H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 95.6 53.0 -64.1 -38.5 0.8 -7.7 25.7 94 95 A D H > S+ 0 0 6 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.914 111.3 46.9 -57.4 -49.2 4.5 -7.2 24.6 95 96 A L H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.904 112.0 49.3 -58.2 -47.6 3.8 -3.5 24.1 96 97 A R H X S+ 0 0 87 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.945 114.1 45.6 -59.2 -50.4 1.9 -3.1 27.5 97 98 A K H X S+ 0 0 85 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.906 115.9 45.2 -63.3 -45.8 4.7 -4.8 29.4 98 99 A I H >X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 3,-1.2 0.942 112.5 50.3 -63.7 -48.8 7.5 -2.9 27.7 99 100 A A H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.7 51.6 -59.9 -33.3 5.8 0.5 28.0 100 101 A S H 3< S+ 0 0 101 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.711 115.3 45.0 -74.7 -18.1 5.2 -0.1 31.7 101 102 A S H << S+ 0 0 44 -3,-1.2 2,-0.3 -4,-0.7 -2,-0.2 0.668 108.2 45.1-102.5 -23.4 8.9 -0.9 32.1 102 103 A V < - 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0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -19,-0.2 -0.358 38.4-147.8 -61.1 144.9 3.2 3.6 22.8 127 128 A D S S- 0 0 2 -21,-1.9 27,-0.3 1,-0.2 2,-0.3 0.747 73.9 -11.7 -84.1 -24.4 4.5 7.1 22.0 128 129 A T E -d 107 0A 8 -22,-1.6 -20,-2.9 25,-0.2 2,-0.3 -0.948 61.2-136.8-161.6 177.1 3.8 6.8 18.2 129 130 A V E -d 108 0A 0 -2,-0.3 27,-2.3 -22,-0.3 2,-0.3 -0.907 20.9-114.0-137.5 161.8 2.9 4.4 15.5 130 131 A G E -e 156 0A 5 -22,-1.5 2,-0.4 -2,-0.3 -18,-0.4 -0.813 19.4-157.4 -91.7 149.5 4.0 3.6 11.9 131 132 A L E -e 157 0A 0 25,-2.4 27,-3.2 -2,-0.3 2,-0.6 -0.990 14.1-143.5-123.5 134.5 1.6 4.2 9.0 132 133 A I E >> -e 158 0A 11 -2,-0.4 3,-1.3 -20,-0.3 4,-0.9 -0.878 8.9-161.8-112.4 109.9 2.4 2.2 5.9 133 134 A V G >4 S+ 0 0 1 25,-2.0 3,-0.6 -2,-0.6 -1,-0.2 0.869 87.1 69.1 -61.6 -35.0 1.9 4.0 2.6 134 135 A K G 34 S+ 0 0 49 24,-0.4 -1,-0.3 1,-0.2 -132,-0.1 0.802 110.5 30.5 -50.1 -33.1 1.9 0.6 0.7 135 136 A I G <4 S+ 0 0 0 -3,-1.3 -133,-1.3 -134,-0.1 2,-0.4 0.530 109.9 72.9-109.4 -7.7 -1.4 -0.5 2.3 136 137 A L S << S- 0 0 2 -4,-0.9 2,-0.1 -3,-0.6 -23,-0.0 -0.855 70.4-126.9-115.0 143.5 -3.3 2.8 2.8 137 138 A T > - 0 0 49 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.333 34.2-107.1 -70.3 160.8 -5.0 5.2 0.5 138 139 A E H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 123.0 51.0 -49.1 -47.1 -4.2 8.9 0.5 139 140 A R H > S+ 0 0 211 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 111.2 46.6 -62.5 -45.3 -7.5 9.6 2.2 140 141 A E H > S+ 0 0 47 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.909 111.2 52.9 -62.1 -40.3 -6.9 6.9 4.9 141 142 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.926 111.0 46.2 -62.8 -45.1 -3.3 8.2 5.5 142 143 A E H X S+ 0 0 70 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.909 115.6 45.4 -65.1 -41.5 -4.6 11.8 6.0 143 144 A S H X S+ 0 0 59 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.951 116.6 43.8 -69.7 -46.0 -7.4 10.7 8.3 144 145 A L H X S+ 0 0 8 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.870 112.4 53.0 -68.0 -33.3 -5.3 8.3 10.4 145 146 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.956 111.9 45.1 -66.9 -45.0 -2.5 10.8 10.6 146 147 A E H X S+ 0 0 117 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.892 112.0 53.0 -63.5 -39.5 -4.8 13.5 11.9 147 148 A Y H X S+ 0 0 51 -4,-2.7 4,-0.7 2,-0.2 3,-0.3 0.932 109.5 46.9 -61.2 -48.2 -6.4 11.0 14.3 148 149 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-1.1 0.901 110.0 55.0 -61.3 -37.2 -3.0 10.1 15.8 149 150 A R H ><5S+ 0 0 67 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.838 96.6 64.9 -64.9 -29.4 -2.1 13.8 16.1 150 151 A S H 3<5S+ 0 0 91 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.738 103.4 47.9 -66.5 -24.2 -5.3 14.4 18.1 151 152 A Y T <<5S- 0 0 60 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.353 126.6-103.7 -87.5 4.6 -3.7 12.1 20.7 152 153 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.618 78.9 133.3 77.8 18.0 -0.4 14.1 20.5 153 154 A M < - 0 0 3 -5,-2.2 -1,-0.3 -6,-0.1 -25,-0.2 -0.585 46.8-152.6 -93.8 150.9 1.4 11.4 18.5 154 155 A E - 0 0 44 -27,-0.3 -121,-0.2 -2,-0.2 -122,-0.1 -0.878 25.3-145.4-121.2 93.8 3.5 12.1 15.3 155 156 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 20,-0.4 -0.220 10.0-122.5 -58.0 147.3 3.4 8.9 13.3 156 157 A A E -e 130 0A 2 -27,-2.3 -25,-2.4 18,-0.1 2,-0.5 -0.785 24.0-138.0 -85.8 139.3 6.4 7.7 11.3 157 158 A I E -ef 131 176A 0 18,-2.3 20,-2.4 -2,-0.4 2,-0.5 -0.872 15.0-144.4-105.0 124.2 5.3 7.3 7.6 158 159 A V E +ef 132 177A 30 -27,-3.2 -25,-2.0 -2,-0.5 -24,-0.4 -0.825 26.2 167.3 -99.5 126.3 6.8 4.1 6.1 159 160 A I E + f 0 178A 0 18,-2.5 20,-2.5 -2,-0.5 3,-0.1 -0.909 26.3 171.8-134.5 158.1 8.0 4.1 2.4 160 161 A N S S+ 0 0 17 -2,-0.3 2,-0.3 18,-0.2 36,-0.1 0.265 71.0 39.1-147.8 1.2 10.0 1.9 0.0 161 162 A D S > S- 0 0 48 1,-0.1 4,-2.3 35,-0.0 -1,-0.2 -0.950 83.1-102.1-150.8 171.8 9.4 3.6 -3.4 162 163 A E H > S+ 0 0 95 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.901 118.5 51.1 -62.7 -42.1 9.0 7.0 -5.1 163 164 A E H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 111.8 49.2 -62.0 -40.6 5.2 6.9 -5.4 164 165 A D H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 111.2 50.2 -60.5 -48.4 5.1 6.1 -1.6 165 166 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.921 107.1 53.6 -60.7 -43.9 7.5 9.0 -0.9 166 167 A D H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.935 110.1 46.9 -61.0 -42.2 5.4 11.4 -2.9 167 168 A I H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 108.5 55.9 -64.0 -39.0 2.3 10.5 -0.9 168 169 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.905 112.0 43.4 -59.9 -38.7 4.3 10.9 2.4 169 170 A L H ><5S+ 0 0 66 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.908 108.9 57.8 -73.7 -34.9 5.2 14.4 1.4 170 171 A R H 3<5S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.853 106.1 50.0 -60.4 -36.7 1.6 15.1 0.2 171 172 A I T 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.474 118.8-108.5 -86.9 2.6 0.3 14.3 3.7 172 173 A G T < 5 - 0 0 39 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.855 46.9-169.8 78.8 32.0 2.8 16.6 5.5 173 174 A A < - 0 0 9 -5,-2.4 -1,-0.1 -6,-0.2 3,-0.1 -0.273 15.4-174.6 -53.8 140.0 4.9 13.8 7.0 174 175 A R S S+ 0 0 68 -19,-0.4 31,-2.2 1,-0.4 2,-0.3 0.551 73.9 33.3-114.6 -13.8 7.5 15.0 9.5 175 176 A I E S- g 0 205A 4 -20,-0.4 -18,-2.3 29,-0.2 2,-0.4 -0.985 71.2-170.6-144.3 127.5 9.2 11.7 10.1 176 177 A I E -fg 157 206A 0 29,-2.9 31,-2.8 -2,-0.3 2,-0.6 -0.976 16.6-151.0-122.7 136.0 9.8 9.1 7.5 177 178 A I E -fg 158 207A 9 -20,-2.4 -18,-2.5 -2,-0.4 2,-0.8 -0.932 13.2-161.8-100.0 118.0 11.0 5.5 7.7 178 179 A I E -fg 159 208A 0 29,-2.7 31,-2.4 -2,-0.6 2,-0.4 -0.875 12.4-162.6 -98.9 105.0 12.8 4.5 4.4 179 180 A S E - g 0 209A 16 -20,-2.5 31,-0.2 -2,-0.8 29,-0.1 -0.760 19.3-157.9 -93.6 134.5 12.9 0.8 4.5 180 181 A S S S+ 0 0 0 29,-2.5 9,-2.1 -2,-0.4 2,-0.6 0.489 75.0 87.1 -81.5 -6.0 15.3 -1.0 2.1 181 182 A R B S-J 188 0C 27 28,-0.2 2,-0.4 7,-0.2 7,-0.2 -0.860 76.4-139.5-100.4 114.6 13.1 -4.1 2.4 182 183 A D > - 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