==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE INHIBITOR 22-JAN-99 1B7E . COMPND 2 MOLECULE: PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.R.DAVIES,L.M.BRAAM,W.S.REZNIKOFF,I.RAYMENT . 372 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 0 0.0 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 . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 0 2 1 0 0 1 1 2 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 1 1 1 1 1 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 1 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 70 A S > 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -71.3 74.5 16.5 13.2 2 71 A A H > + 0 0 33 1,-0.2 4,-1.6 2,-0.2 0, 0.0 0.697 360.0 32.7 -25.4 -63.8 73.1 18.7 10.3 3 72 A E H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.949 115.5 57.8 -68.6 -52.0 69.3 18.2 10.7 4 73 A A H > S+ 0 0 48 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.828 105.5 53.8 -46.7 -36.8 69.5 17.9 14.5 5 74 A I H X S+ 0 0 48 -4,-2.2 4,-2.9 2,-0.2 -1,-0.3 0.988 106.4 49.8 -58.8 -61.9 71.1 21.3 14.4 6 75 A R H X S+ 0 0 50 -4,-1.6 4,-4.2 1,-0.3 5,-0.3 0.907 107.4 53.9 -40.9 -58.0 68.3 22.7 12.5 7 76 A K H X S+ 0 0 93 -4,-2.6 4,-3.5 1,-0.2 -1,-0.3 0.922 111.5 47.0 -45.6 -49.6 65.8 21.3 14.9 8 77 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.983 115.3 43.7 -55.1 -62.4 67.7 23.0 17.6 9 78 A G H X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.2 3,-0.3 0.927 114.7 51.0 -45.7 -56.9 67.9 26.3 15.7 10 79 A A H X S+ 0 0 1 -4,-4.2 4,-2.7 1,-0.3 -1,-0.2 0.894 104.8 56.2 -44.5 -56.5 64.2 25.9 14.7 11 80 A M H X S+ 0 0 92 -4,-3.5 4,-2.6 -5,-0.3 5,-0.3 0.913 107.6 49.7 -43.7 -51.9 63.2 25.3 18.3 12 81 A Q H X S+ 0 0 122 -4,-2.3 4,-2.1 -3,-0.3 -1,-0.3 0.943 108.3 52.2 -54.5 -53.2 64.9 28.6 19.1 13 82 A T H X S+ 0 0 5 -4,-2.3 4,-1.0 42,-0.3 -1,-0.2 0.886 111.8 47.9 -52.2 -40.4 63.0 30.3 16.3 14 83 A V H >X S+ 0 0 17 -4,-2.7 4,-1.1 2,-0.2 3,-0.9 0.958 109.1 49.7 -65.5 -55.3 59.7 29.0 17.7 15 84 A K H 3< S+ 0 0 138 -4,-2.6 4,-0.5 1,-0.3 -1,-0.2 0.806 111.5 51.8 -54.3 -32.8 60.3 29.9 21.3 16 85 A L H 3< S+ 0 0 77 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.3 0.793 103.4 58.9 -74.2 -29.1 61.2 33.3 20.2 17 86 A A H X< S+ 0 0 0 -4,-1.0 3,-1.6 -3,-0.9 -2,-0.2 0.733 89.5 70.7 -74.9 -25.4 58.0 33.6 18.1 18 87 A Q T 3< S+ 0 0 103 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.863 83.5 70.5 -61.5 -34.3 55.6 33.0 21.1 19 88 A E T 3 S+ 0 0 78 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.1 0.394 94.4 74.8 -65.9 7.5 56.5 36.5 22.4 20 89 A F < - 0 0 41 -3,-1.6 3,-0.1 1,-0.1 75,-0.1 -0.991 68.9-148.2-135.4 138.6 54.5 37.9 19.5 21 90 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.607 86.8 9.4 -69.7 -28.3 50.8 38.1 18.7 22 91 A E + 0 0 33 -5,-0.1 25,-1.5 2,-0.0 2,-0.3 -0.950 68.9 176.6-156.7 142.7 51.0 37.8 15.0 23 92 A L E -Ab 46 96A 0 72,-3.9 74,-2.0 -2,-0.3 2,-0.4 -0.978 23.0-127.9-149.7 158.4 53.9 36.9 12.7 24 93 A L E -Ab 45 97A 0 21,-0.8 21,-3.0 -2,-0.3 2,-0.7 -0.888 10.8-150.7-110.7 137.1 54.6 36.3 9.0 25 94 A A E -Ab 44 98A 7 72,-0.7 74,-1.4 -2,-0.4 2,-0.3 -0.894 17.3-163.4-109.5 98.3 56.4 33.2 7.7 26 95 A I E -Ab 43 99A 0 17,-3.3 17,-3.5 -2,-0.7 2,-0.4 -0.622 13.2-174.4 -82.9 138.6 58.2 34.2 4.6 27 96 A E E +A 42 0A 8 72,-1.3 74,-0.4 -2,-0.3 2,-0.3 -0.991 17.8 152.0-146.2 146.7 59.3 31.5 2.4 28 97 A D E -A 41 0A 27 13,-1.7 13,-5.8 -2,-0.4 2,-0.4 -0.979 31.9-128.8-158.4 157.3 61.2 30.7 -0.7 29 98 A T E -A 40 0A 18 11,-0.4 11,-0.4 -2,-0.3 2,-0.3 -0.919 33.6-164.0-111.5 135.5 63.2 27.9 -2.3 30 99 A T E -A 39 0A 34 9,-4.7 9,-2.6 -2,-0.4 2,-1.0 -0.903 26.5-124.0-132.6 162.3 66.7 28.6 -3.6 31 100 A S E +A 38 0A 42 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.775 30.1 175.1 -96.2 91.8 69.5 27.5 -5.7 32 101 A L + 0 0 39 5,-1.4 2,-0.3 -2,-1.0 -2,-0.0 -0.889 15.4 173.8-101.5 113.9 72.6 27.3 -3.6 33 102 A S - 0 0 38 -2,-0.7 2,-0.1 5,-0.0 -2,-0.0 -0.916 24.0-128.1-126.8 155.1 75.5 25.8 -5.7 34 103 A Y 0 0 208 -2,-0.3 208,-0.0 1,-0.1 211,-0.0 -0.419 360.0 360.0 -92.9 164.6 79.2 25.1 -5.4 35 104 A R 0 0 276 210,-0.3 -1,-0.1 -2,-0.1 211,-0.1 0.465 360.0 360.0-140.4 360.0 82.2 26.0 -7.7 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 124 A W 0 0 104 0, 0.0 -5,-1.4 0, 0.0 25,-0.3 0.000 360.0 360.0 360.0 -80.4 71.6 21.6 -4.2 38 125 A W E -AC 31 61A 57 23,-4.7 23,-1.8 -7,-0.2 2,-0.3 -0.712 360.0-168.7-109.0 161.5 68.2 23.4 -3.3 39 126 A V E -AC 30 60A 3 -9,-2.6 -9,-4.7 -2,-0.3 2,-0.5 -0.904 8.3-169.4-149.7 117.4 66.9 25.1 -0.3 40 127 A H E -AC 29 59A 0 19,-3.2 19,-3.4 -11,-0.4 2,-0.4 -0.892 24.8-158.4-100.6 128.1 63.4 26.3 0.5 41 128 A S E -AC 28 58A 0 -13,-5.8 -13,-1.7 -2,-0.5 2,-0.7 -0.922 17.9-151.9-119.0 146.1 63.5 28.4 3.5 42 129 A V E -AC 27 57A 10 15,-4.1 14,-3.1 -2,-0.4 15,-1.8 -0.909 22.7-179.5-112.3 103.7 61.0 29.4 6.0 43 130 A L E -AC 26 55A 0 -17,-3.5 -17,-3.3 -2,-0.7 2,-0.4 -0.836 11.0-152.0-105.0 140.1 61.8 32.8 7.5 44 131 A L E -AC 25 54A 3 10,-1.5 9,-2.6 -2,-0.4 10,-1.4 -0.943 12.2-177.0-119.2 129.9 59.7 34.4 10.1 45 132 A L E -AC 24 52A 0 -21,-3.0 -21,-0.8 -2,-0.4 2,-0.6 -0.559 35.6 -98.1-114.5 180.0 59.2 38.1 10.9 46 133 A E E > -A 23 0A 0 5,-1.4 4,-1.3 -23,-0.2 -23,-0.2 -0.865 27.7-144.6 -99.8 125.5 57.4 40.1 13.4 47 134 A A T 4 S+ 0 0 1 -25,-1.5 -24,-0.1 -2,-0.6 -1,-0.1 0.366 92.8 41.3 -73.7 5.9 54.1 41.3 12.0 48 135 A T T 4 S+ 0 0 75 -26,-0.2 -1,-0.2 3,-0.1 240,-0.1 0.683 131.8 16.8-122.1 -41.8 54.2 44.6 13.7 49 136 A T T 4 S- 0 0 18 2,-0.2 -2,-0.2 239,-0.1 3,-0.1 0.565 93.1-135.2-107.0 -11.0 57.7 45.9 13.5 50 137 A F < + 0 0 24 -4,-1.3 2,-0.4 1,-0.3 -3,-0.1 0.755 50.4 153.7 63.4 25.1 58.5 43.5 10.7 51 138 A R - 0 0 38 1,-0.1 -5,-1.4 -6,-0.1 -1,-0.3 -0.706 53.3-102.6 -84.3 135.6 61.7 42.8 12.5 52 139 A T E -C 45 0A 3 -2,-0.4 -7,-0.2 -7,-0.2 -1,-0.1 -0.356 35.3-176.4 -61.4 137.2 63.1 39.4 11.8 53 140 A V E - 0 0 10 -9,-2.6 2,-0.2 1,-0.3 -8,-0.2 0.809 53.5 -59.5-102.6 -48.7 62.5 36.9 14.5 54 141 A G E -C 44 0A 6 -10,-1.4 -10,-1.5 -38,-0.0 2,-0.4 -0.834 52.0 -81.2 166.5 157.9 64.3 33.8 13.3 55 142 A L E -C 43 0A 0 -2,-0.2 -42,-0.3 -12,-0.2 -12,-0.3 -0.623 34.5-168.3 -77.9 124.6 64.5 31.2 10.6 56 143 A L E - 0 0 4 -14,-3.1 2,-0.3 -2,-0.4 -13,-0.2 0.835 59.2 -7.9 -88.0 -32.9 61.8 28.5 11.0 57 144 A H E -C 42 0A 12 -15,-1.8 -15,-4.1 -48,-0.0 2,-0.4 -0.983 45.3-150.2-167.2 150.2 62.9 25.9 8.5 58 145 A Q E -C 41 0A 3 -2,-0.3 2,-0.8 -17,-0.2 -17,-0.2 -0.971 10.4-160.2-131.4 115.4 65.2 24.9 5.7 59 146 A E E -C 40 0A 32 -19,-3.4 -19,-3.2 -2,-0.4 2,-0.4 -0.871 17.0-171.9 -97.2 108.9 64.2 22.4 3.0 60 147 A W E +C 39 0A 38 -2,-0.8 2,-0.3 -21,-0.3 -21,-0.2 -0.821 16.7 143.8-104.7 138.0 67.3 21.0 1.3 61 148 A W E -C 38 0A 16 -23,-1.8 -23,-4.7 -2,-0.4 2,-0.1 -0.902 36.9-121.8-172.2 146.0 67.3 18.8 -1.8 62 149 A M - 0 0 87 -25,-0.3 3,-0.0 -2,-0.3 -23,-0.0 -0.192 52.9 -58.7 -85.1 179.5 69.4 18.2 -4.9 63 150 A R - 0 0 103 1,-0.1 2,-0.7 -2,-0.1 -1,-0.2 -0.410 54.6-108.6 -69.5 123.7 68.5 18.4 -8.6 64 151 A P - 0 0 4 0, 0.0 5,-0.6 0, 0.0 6,-0.3 -0.442 32.1-140.7 -57.6 102.8 65.7 16.2 -9.8 65 152 A D S S+ 0 0 130 -2,-0.7 5,-0.1 4,-0.1 -2,-0.1 0.779 83.5 68.3 -33.2 -66.6 67.7 13.7 -11.8 66 153 A D S > S- 0 0 103 3,-0.1 3,-1.0 2,-0.1 4,-0.1 -0.301 100.8-109.1 -56.2 155.5 65.3 13.3 -14.8 67 154 A P G > S+ 0 0 93 0, 0.0 2,-2.1 0, 0.0 3,-0.6 0.925 105.8 23.9 -55.8 -87.7 65.2 16.6 -16.6 68 155 A A G 3 S+ 0 0 94 1,-0.2 -3,-0.1 2,-0.1 -2,-0.1 -0.355 96.9 98.0 -78.8 54.7 61.9 18.2 -16.0 69 156 A D G <> + 0 0 63 -2,-2.1 4,-1.8 -3,-1.0 -1,-0.2 0.260 59.8 82.0-122.8 7.0 61.3 16.4 -12.8 70 157 A A H <> S+ 0 0 10 -3,-0.6 4,-4.2 -6,-0.3 5,-0.4 0.902 80.5 62.9 -75.9 -46.8 62.4 19.2 -10.5 71 158 A D H > S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.730 112.5 39.0 -53.5 -23.9 59.2 21.1 -10.6 72 159 A E H > S+ 0 0 148 2,-0.2 4,-0.5 3,-0.1 -1,-0.2 0.863 115.4 49.0 -93.4 -48.1 57.6 18.0 -8.9 73 160 A K H < S+ 0 0 68 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.878 119.7 42.0 -56.7 -36.0 60.4 17.2 -6.6 74 161 A E H >X S+ 0 0 41 -4,-4.2 3,-2.3 1,-0.2 4,-1.3 0.933 104.1 63.2 -74.0 -51.7 60.4 20.9 -5.6 75 162 A S H 3< S+ 0 0 12 -4,-1.2 4,-0.4 -5,-0.4 -1,-0.2 0.455 109.6 42.6 -56.0 -4.2 56.6 21.3 -5.5 76 163 A G T 3X S+ 0 0 27 -4,-0.5 4,-1.9 -3,-0.4 -1,-0.3 0.452 97.9 70.7-121.1 -8.4 56.5 18.8 -2.6 77 164 A K H <> S+ 0 0 50 -3,-2.3 4,-2.2 -4,-0.2 -2,-0.2 0.852 98.5 54.1 -73.7 -37.4 59.5 20.1 -0.7 78 165 A W H >X S+ 0 0 12 -4,-1.3 4,-2.8 2,-0.2 3,-0.7 0.982 107.4 48.1 -56.2 -63.0 57.4 23.1 0.2 79 166 A L H 3> S+ 0 0 76 -4,-0.4 4,-4.1 1,-0.3 5,-0.3 0.898 108.6 55.6 -39.4 -55.5 54.6 20.9 1.5 80 167 A A H 3X S+ 0 0 33 -4,-1.9 4,-1.1 1,-0.2 -1,-0.3 0.904 112.0 43.8 -46.3 -48.0 57.2 19.0 3.4 81 168 A A H XX S+ 0 0 0 -4,-2.2 4,-2.3 -3,-0.7 3,-1.1 0.958 112.6 48.1 -64.4 -55.9 58.2 22.3 4.9 82 169 A A H 3X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.3 5,-0.3 0.905 112.5 53.2 -46.5 -47.0 54.8 23.7 5.6 83 170 A A H 3X S+ 0 0 40 -4,-4.1 4,-0.8 -5,-0.3 -1,-0.3 0.770 114.1 40.3 -59.0 -34.0 54.2 20.4 7.1 84 171 A T H < S+ 0 0 14 -4,-3.9 3,-1.0 1,-0.2 2,-0.3 0.904 84.1 176.7 -57.2 -48.4 55.2 26.1 15.4 90 177 A G G >< - 0 0 34 -4,-3.4 3,-1.7 -5,-0.3 -1,-0.2 -0.608 64.0 -1.3 81.4-139.2 52.2 24.3 16.6 91 178 A S G > S+ 0 0 97 -2,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.564 119.8 74.8 -62.9 -17.4 49.2 26.4 17.7 92 179 A M G X S+ 0 0 46 -3,-1.0 3,-5.8 1,-0.3 -1,-0.3 0.858 72.4 91.2 -64.7 -27.1 51.1 29.6 17.1 93 180 A M G X S+ 0 0 20 -3,-1.7 3,-1.7 1,-0.3 26,-0.6 0.734 76.3 62.1 -32.1 -38.9 50.3 28.6 13.5 94 181 A S G < S+ 0 0 58 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.735 97.1 56.7 -65.0 -25.3 47.2 30.7 13.9 95 182 A N G < S+ 0 0 34 -3,-5.8 -72,-3.9 -4,-0.2 2,-0.5 0.223 95.3 96.3 -91.0 14.9 49.3 33.8 14.5 96 183 A V E < -b 23 0A 6 -3,-1.7 23,-1.1 -4,-0.2 2,-0.8 -0.924 52.7-167.4-122.4 128.5 51.0 33.2 11.2 97 184 A I E -bd 24 119A 0 -74,-2.0 -72,-0.7 -2,-0.5 2,-0.4 -0.826 23.5-141.0-106.6 95.0 50.4 34.6 7.7 98 185 A A E -bd 25 120A 5 21,-2.8 23,-2.5 -2,-0.8 2,-0.4 -0.373 21.0-165.6 -58.9 115.2 52.3 32.6 5.2 99 186 A V E +bd 26 121A 0 -74,-1.4 -72,-1.3 -2,-0.4 2,-0.3 -0.885 28.2 109.0-105.9 137.3 53.6 35.1 2.7 100 187 A C E - d 0 122A 0 21,-1.2 23,-2.6 -2,-0.4 2,-0.4 -0.979 56.3 -97.9-179.5-176.2 55.0 33.9 -0.7 101 188 A D E - d 0 123A 12 -74,-0.4 2,-0.6 -2,-0.3 23,-0.2 -0.993 25.7-158.9-131.4 124.7 54.8 33.6 -4.5 102 189 A R E + d 0 124A 4 21,-1.8 23,-1.0 -2,-0.4 24,-0.4 -0.903 19.7 171.9-114.6 113.6 53.6 30.5 -6.3 103 190 A E S S+ 0 0 104 -2,-0.6 2,-0.3 21,-0.1 -1,-0.1 0.691 76.1 18.1 -84.2 -23.3 54.5 29.9 -9.8 104 191 A A S S+ 0 0 27 1,-0.1 -1,-0.1 2,-0.1 21,-0.1 -0.938 114.2 21.6-146.5 169.2 53.0 26.4 -9.6 105 192 A D >> + 0 0 83 -2,-0.3 4,-1.6 3,-0.1 3,-0.5 0.771 60.7 158.8 42.8 34.3 50.7 24.1 -7.8 106 193 A I H 3> + 0 0 22 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.954 69.9 59.1 -42.7 -60.8 49.0 27.1 -6.4 107 194 A H H 3> S+ 0 0 60 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.754 103.5 51.1 -30.9 -55.5 46.0 24.8 -5.8 108 195 A A H <> S+ 0 0 31 -3,-0.5 4,-4.0 2,-0.2 -1,-0.2 0.971 107.6 50.0 -50.9 -66.5 48.0 22.5 -3.6 109 196 A Y H X S+ 0 0 11 -4,-1.6 4,-4.4 1,-0.2 5,-0.2 0.856 114.7 46.1 -38.2 -54.1 49.4 25.2 -1.3 110 197 A L H X S+ 0 0 0 -4,-2.1 4,-4.7 -5,-0.2 5,-0.3 0.979 112.1 47.4 -62.0 -56.5 46.0 26.5 -0.8 111 198 A Q H X S+ 0 0 94 -4,-3.6 4,-3.0 1,-0.2 -2,-0.2 0.910 117.0 47.7 -51.9 -38.7 44.3 23.2 -0.2 112 199 A D H X S+ 0 0 37 -4,-4.0 4,-1.5 -5,-0.3 -2,-0.2 0.981 114.8 42.0 -63.1 -57.3 47.1 22.5 2.1 113 200 A K H X>S+ 0 0 11 -4,-4.4 5,-2.0 -5,-0.2 4,-0.8 0.942 115.9 53.8 -54.3 -46.8 46.9 25.9 3.8 114 201 A L H ><5S+ 0 0 62 -4,-4.7 3,-1.8 1,-0.2 -2,-0.2 0.934 101.2 54.3 -53.5 -58.4 43.1 25.6 3.8 115 202 A A H 3<5S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.868 115.7 42.0 -48.3 -38.3 42.7 22.2 5.5 116 203 A H H 3<5S- 0 0 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T H 3< S+ 0 0 33 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.657 95.5 64.2 -43.5 -22.0 55.6 44.0 0.2 226 321 A H T << S+ 0 0 32 -3,-1.1 3,-0.4 -4,-0.7 -1,-0.3 0.083 75.7 95.6 -92.8 23.3 57.5 42.5 3.0 227 322 A R X + 0 0 20 -3,-2.7 3,-1.5 1,-0.2 4,-0.4 0.878 66.2 71.1 -76.7 -42.3 58.1 39.4 0.9 228 323 A W T >> S+ 0 0 106 -3,-0.4 3,-1.2 -4,-0.3 4,-1.1 0.692 73.9 87.5 -48.3 -23.6 61.5 40.5 -0.4 229 324 A R H 3> S+ 0 0 34 -3,-0.4 4,-2.0 1,-0.3 3,-0.4 0.853 80.7 59.8 -47.9 -43.3 63.1 40.0 3.1 230 325 A I H <> S+ 0 0 1 -3,-1.5 4,-3.1 1,-0.2 -1,-0.3 0.837 97.8 58.5 -57.5 -35.3 63.9 36.3 2.3 231 326 A E H <> S+ 0 0 87 -3,-1.2 4,-3.5 -4,-0.4 -1,-0.2 0.919 105.3 50.9 -60.2 -42.3 66.0 37.2 -0.6 232 327 A E H X S+ 0 0 60 -4,-1.1 4,-4.1 -3,-0.4 5,-0.4 0.941 108.1 50.5 -58.2 -53.9 68.2 39.3 1.7 233 328 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.964 112.4 48.7 -46.3 -55.7 68.5 36.4 4.1 234 329 A H H X S+ 0 0 10 -4,-3.1 4,-2.8 1,-0.2 3,-0.3 0.929 114.6 44.9 -48.1 -54.2 69.5 34.4 1.0 235 330 A K H X S+ 0 0 113 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.935 111.0 50.9 -58.6 -52.4 72.0 37.0 -0.0 236 331 A A H X S+ 0 0 0 -4,-4.1 4,-1.5 1,-0.2 -1,-0.2 0.794 116.1 46.5 -57.2 -27.4 73.5 37.5 3.5 237 332 A W H X S+ 0 0 7 -4,-2.0 4,-1.6 -5,-0.4 -2,-0.2 0.975 106.2 51.5 -77.3 -65.1 73.9 33.8 3.5 238 333 A K H X S+ 0 0 91 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.644 115.2 49.6 -48.7 -18.4 75.4 33.0 0.1 239 334 A T H < S+ 0 0 53 -4,-1.3 5,-0.3 -5,-0.2 -1,-0.2 0.925 109.7 42.9 -86.0 -70.1 77.9 35.6 1.0 240 335 A G H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 3,-0.2 0.636 125.5 44.9 -52.4 -7.8 79.0 34.6 4.5 241 336 A A H >X S+ 0 0 7 -4,-1.6 3,-4.0 2,-0.1 2,-3.9 0.850 105.1 53.3 -96.7 -68.5 79.0 31.2 2.7 242 337 A G T 3< S+ 0 0 47 -4,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.033 107.2 59.0 -62.3 37.8 80.6 31.9 -0.6 243 338 A A T 34 S+ 0 0 38 -2,-3.9 -1,-0.3 -3,-0.2 -2,-0.1 0.394 108.5 41.1-132.2 -28.1 83.4 33.3 1.6 244 339 A E T <4 S+ 0 0 91 -3,-4.0 -2,-0.2 -5,-0.3 -3,-0.1 0.424 123.0 40.2-100.4 -8.5 83.9 30.0 3.4 245 340 A R S < S+ 0 0 79 -4,-1.3 -210,-0.3 3,-0.2 -3,-0.2 0.123 116.4 51.5-121.5 5.6 83.5 28.1 0.2 246 341 A Q S S+ 0 0 79 -5,-0.4 -2,-0.2 -211,-0.1 -4,-0.1 0.237 126.2 26.9-117.8 -7.9 85.5 30.7 -1.5 247 342 A R 0 0 81 0, 0.0 -2,-0.2 0, 0.0 -3,-0.2 0.252 360.0 360.0-138.1 3.6 88.1 30.3 1.2 248 343 A M 0 0 120 2,-0.0 -3,-0.2 0, 0.0 -4,-0.1 -0.589 360.0 360.0-176.0 360.0 87.5 26.6 2.2 249 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 250 346 A P 0 0 133 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-129.6 85.0 18.5 3.1 251 347 A D + 0 0 91 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.679 360.0 64.8 -89.3 -23.7 82.4 16.6 5.1 252 348 A N S > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.1 5,-0.3 0.255 73.2 99.5 -85.8 8.5 81.4 19.9 6.7 253 349 A L H > S+ 0 0 69 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.953 90.8 30.9 -65.3 -56.6 80.1 21.4 3.4 254 350 A E H > S+ 0 0 134 -3,-0.4 4,-0.9 2,-0.1 -1,-0.2 0.769 122.7 56.8 -76.3 -19.9 76.3 20.9 3.7 255 351 A R H >> S+ 0 0 125 -4,-0.3 3,-1.5 2,-0.2 4,-1.2 0.992 102.5 46.5 -67.9 -78.2 76.8 21.2 7.5 256 352 A M H 3X S+ 0 0 41 -4,-2.0 4,-3.2 1,-0.3 5,-0.2 0.721 108.2 58.6 -36.8 -40.9 78.4 24.7 8.0 257 353 A V H 3X S+ 0 0 15 -4,-0.9 4,-3.2 -5,-0.3 -1,-0.3 0.952 99.2 56.2 -58.7 -49.6 76.0 26.3 5.6 258 354 A S H X S+ 0 0 88 -4,-1.2 3,-2.2 2,-0.2 4,-1.0 0.998 107.6 51.9 -66.4 -67.7 75.0 27.1 10.4 260 356 A L H >X S+ 0 0 16 -4,-3.2 4,-3.5 1,-0.3 3,-0.6 0.786 101.7 65.2 -36.9 -37.0 75.7 30.2 8.4 261 357 A S H 3< S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.3 4,-0.3 0.943 106.2 40.3 -55.9 -47.9 72.0 30.2 7.7 262 358 A F H S+ 0 0 6 -4,-0.3 4,-2.3 -5,-0.3 5,-0.2 0.947 98.7 48.0 -80.9 -56.9 70.2 35.9 10.5 266 362 A R H < S+ 0 0 59 -4,-0.7 4,-0.4 1,-0.3 -2,-0.2 0.847 114.9 48.1 -54.1 -34.2 71.9 37.7 13.2 267 363 A L H >X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 3,-1.4 0.930 108.7 52.6 -71.8 -42.9 73.6 39.8 10.6 268 364 A L H 3X S+ 0 0 5 -4,-1.1 4,-1.2 1,-0.3 -2,-0.2 0.833 113.3 46.4 -56.2 -32.3 70.2 40.3 8.9 269 365 A Q H 3X S+ 0 0 34 -4,-2.3 4,-0.6 2,-0.2 -1,-0.3 0.477 109.2 54.4 -87.6 -11.2 69.2 41.5 12.4 270 366 A L H <4 S+ 0 0 1 -3,-1.4 4,-0.5 -4,-0.4 -2,-0.2 0.791 111.1 43.8 -92.0 -34.2 72.2 43.6 12.9 271 367 A R H >X S+ 0 0 32 -4,-3.0 4,-2.1 1,-0.2 3,-1.5 0.914 110.9 57.3 -72.8 -38.1 71.6 45.5 9.7 272 368 A E H 3X S+ 0 0 8 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.799 87.3 74.6 -58.8 -36.1 67.9 45.7 10.6 273 369 A S H 3< S+ 0 0 0 -4,-0.6 -1,-0.3 1,-0.2 53,-0.2 0.829 115.0 23.1 -47.6 -33.0 68.7 47.4 13.8 274 370 A F H <> S+ 0 0 56 -3,-1.5 4,-1.7 -4,-0.5 -2,-0.2 0.880 126.2 44.4 -98.0 -59.1 69.4 50.5 11.6 275 371 A T H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.919 107.1 59.7 -55.7 -52.4 67.5 50.1 8.4 276 372 A L H X S+ 0 0 11 -4,-1.2 4,-2.6 1,-0.2 3,-0.2 0.935 104.6 49.0 -43.0 -63.9 64.3 48.9 9.9 277 373 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.890 111.0 50.7 -43.3 -54.0 63.9 52.1 11.9 278 374 A Q H X S+ 0 0 100 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.929 110.7 48.7 -50.3 -53.0 64.5 54.2 8.8 279 375 A A H X S+ 0 0 55 -4,-2.8 4,-0.6 -3,-0.2 -1,-0.2 0.918 108.2 56.4 -52.4 -49.4 61.9 52.2 6.9 280 376 A L H ><>S+ 0 0 7 -4,-2.6 3,-2.7 -5,-0.3 5,-0.7 0.951 105.7 47.7 -47.1 -67.3 59.4 52.6 9.7 281 377 A R H ><5S+ 0 0 104 -4,-2.0 3,-6.5 1,-0.3 -1,-0.2 0.920 101.9 63.0 -41.0 -61.4 59.5 56.4 9.8 282 378 A A H 3<5S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.679 108.0 45.6 -42.1 -18.8 59.1 56.8 6.1 283 379 A Q T <<5S- 0 0 71 -3,-2.7 2,-0.3 -4,-0.6 -1,-0.3 0.215 119.7-113.6-111.2 11.3 55.8 55.1 6.7 284 380 A G T < 5S+ 0 0 54 -3,-6.5 2,-0.6 1,-0.2 -3,-0.2 -0.086 74.4 132.2 84.3 -35.1 55.0 57.3 9.7 285 381 A L >< + 0 0 69 -5,-0.7 4,-0.8 -2,-0.3 -1,-0.2 -0.355 21.8 162.1 -53.9 99.5 55.1 54.4 12.2 286 382 A L H > + 0 0 86 -2,-0.6 4,-3.5 2,-0.2 5,-0.2 0.908 62.5 60.7 -88.2 -51.6 57.2 56.0 15.0 287 383 A K H > S+ 0 0 152 2,-0.2 4,-0.7 1,-0.2 5,-0.1 0.852 109.0 48.6 -39.8 -48.5 56.6 53.8 18.1 288 384 A E H >> S+ 0 0 43 2,-0.2 3,-4.5 1,-0.2 4,-2.5 0.995 112.1 42.5 -55.7 -79.3 58.0 50.9 16.1 289 385 A A H 3X>S+ 0 0 0 -4,-0.8 4,-3.8 1,-0.3 5,-0.5 0.853 111.8 59.3 -34.8 -49.1 61.1 52.3 14.8 290 386 A E H 3<5S+ 0 0 92 -4,-3.5 -1,-0.3 1,-0.3 4,-0.3 0.698 112.8 37.9 -54.7 -28.5 61.5 53.8 18.2 291 387 A H H <<5S+ 0 0 110 -3,-4.5 -1,-0.3 -4,-0.7 -2,-0.2 0.711 115.8 52.3 -95.1 -31.4 61.5 50.3 19.6 292 388 A V H ><5S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.932 115.7 38.8 -70.7 -50.2 63.4 48.7 16.8 293 389 A E T 3<5S+ 0 0 51 -4,-3.8 33,-0.4 1,-0.2 32,-0.2 0.832 107.2 67.8 -69.1 -31.5 66.2 51.1 17.0 294 390 A S T 3 > S+ 0 0 0 26,-0.7 4,-3.2 2,-0.2 3,-1.3 0.792 106.5 75.7-100.2 -31.4 72.7 44.0 22.1 298 394 A E T 34 S+ 0 0 135 25,-0.3 -1,-0.1 1,-0.3 26,-0.1 0.703 85.3 70.0 -47.0 -23.5 71.6 41.1 24.2 299 395 A T T 34 S+ 0 0 69 1,-0.1 -1,-0.3 3,-0.1 -2,-0.2 0.957 121.6 9.0 -60.5 -56.5 68.9 40.7 21.6 300 396 A V T <4 S+ 0 0 8 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.872 125.8 60.6 -93.3 -45.8 71.4 39.5 19.0 301 397 A L < - 0 0 13 -4,-3.2 3,-0.0 -5,-0.1 24,-0.0 0.284 69.4-122.7 -71.0-165.7 74.6 39.1 20.9 302 398 A T > - 0 0 45 1,-0.0 4,-3.5 0, 0.0 5,-0.2 -0.969 31.0-112.4-141.5 140.9 76.1 37.2 23.8 303 399 A P H > S+ 0 0 75 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.859 122.1 46.6 -45.0 -43.5 77.7 38.6 26.9 304 400 A D H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.980 116.8 42.4 -65.7 -52.1 81.0 37.3 25.8 305 401 A E H > S+ 0 0 20 1,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.758 118.5 49.8 -63.2 -23.4 80.4 38.7 22.3 306 402 A C H X S+ 0 0 21 -4,-3.5 4,-0.8 2,-0.2 -2,-0.2 0.953 114.1 39.5 -80.2 -54.6 79.1 41.8 24.0 307 403 A Q H >X S+ 0 0 118 -4,-3.6 4,-1.6 -5,-0.2 3,-0.8 0.960 121.1 45.0 -55.4 -59.0 81.8 42.5 26.5 308 404 A L H 3X S+ 0 0 14 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.857 111.2 50.9 -51.7 -49.6 84.6 41.5 24.0 309 405 A L H 3X S+ 0 0 0 -4,-1.1 4,-0.9 -5,-0.4 -1,-0.3 0.687 109.0 59.3 -65.2 -15.9 83.0 43.5 21.1 310 406 A G H << S+ 0 0 23 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.942 108.5 37.3 -76.2 -56.6 83.0 46.3 23.7 311 407 A Y H >< S+ 0 0 169 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.987 116.3 55.8 -57.1 -58.7 86.7 46.4 24.4 312 408 A L H 3< S+ 0 0 48 -4,-2.3 2,-0.5 1,-0.3 -1,-0.2 0.794 113.5 40.5 -40.4 -44.4 87.5 45.8 20.8 313 409 A D T 3< S+ 0 0 5 -4,-0.9 4,-0.3 -5,-0.2 -1,-0.3 -0.610 79.2 129.9-113.7 70.5 85.4 48.7 19.7 314 410 A K < + 0 0 135 -3,-0.7 2,-1.3 -2,-0.5 3,-0.5 0.951 67.3 39.5 -86.1 -68.5 86.2 51.4 22.2 315 411 A G S S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.027 104.7 83.5 -77.2 39.5 87.1 54.8 20.7 316 412 A K + 0 0 94 -2,-1.3 -1,-0.2 -3,-0.2 -2,-0.1 0.850 53.5 88.7-114.6 -49.0 84.4 54.3 18.1 317 413 A R + 0 0 138 -3,-0.5 5,-0.0 -4,-0.3 4,-0.0 -0.257 27.6 153.9 -73.0 154.0 80.6 55.1 18.7 318 414 A K S S+ 0 0 179 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.562 83.3 9.6-132.8 -64.6 79.0 58.6 18.1 319 415 A R S S+ 0 0 229 2,-0.1 2,-0.3 8,-0.0 8,-0.1 0.734 104.6 105.0 -93.4 -34.0 75.3 58.5 17.3 320 416 A K S S- 0 0 45 6,-0.1 3,-0.1 1,-0.1 4,-0.0 -0.345 76.7-127.4 -56.4 108.9 75.2 54.8 18.3 321 417 A E > - 0 0 58 -2,-0.3 3,-1.4 1,-0.1 6,-0.4 -0.306 33.8 -97.1 -59.7 143.1 73.6 54.5 21.7 322 419 A K T 3 S+ 0 0 82 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.527 106.1 14.3 -73.3 123.0 75.7 52.6 24.2 323 420 A G T 3 S+ 0 0 39 -2,-0.4 -26,-0.7 1,-0.3 -25,-0.3 0.414 97.8 143.5 94.8 5.4 74.8 48.9 24.6 324 421 A S B <> -K 296 0C 7 -3,-1.4 4,-2.8 -28,-0.2 -1,-0.3 -0.295 64.4-132.9 -78.5 158.0 72.7 49.0 21.4 325 422 A L H > S+ 0 0 1 -30,-1.8 4,-4.2 -32,-0.2 5,-0.2 0.952 117.1 53.7 -67.6 -46.6 72.1 46.4 18.8 326 423 A Q H > S+ 0 0 40 -33,-0.4 4,-2.3 -31,-0.4 5,-0.2 0.921 109.2 46.8 -49.4 -54.0 72.7 49.4 16.5 327 424 A W H >> S+ 0 0 19 -6,-0.4 4,-2.6 1,-0.2 3,-0.9 0.984 113.8 48.1 -48.7 -68.9 76.0 50.0 18.3 328 425 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.834 108.9 52.6 -36.6 -57.1 76.9 46.4 18.1 329 426 A Y H 3X S+ 0 0 2 -4,-4.2 4,-1.1 1,-0.2 -1,-0.3 0.916 113.2 46.2 -47.8 -48.3 76.0 46.2 14.3 330 427 A M H X S+ 0 0 0 -4,-1.1 3,-1.3 -5,-0.3 4,-0.9 0.985 110.2 44.6 -71.7 -55.3 80.9 46.5 10.7 334 431 A R H >< S+ 0 0 36 -4,-2.9 3,-2.2 3,-0.3 -2,-0.2 0.917 108.1 56.1 -48.0 -56.5 84.0 48.4 11.6 335 432 A L H 3< S+ 0 0 46 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.784 111.8 45.6 -48.2 -29.4 85.7 45.3 12.8 336 433 A G H << S- 0 0 10 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.3 0.617 138.4 -90.5 -86.6 -19.1 84.9 44.0 9.3 337 434 A G << - 0 0 44 -3,-2.2 2,-1.6 -4,-0.9 -3,-0.3 0.713 52.9-178.9 112.1 42.5 86.1 47.4 7.9 338 435 A F + 0 0 26 -5,-0.4 -4,-0.1 -7,-0.2 -1,-0.1 -0.481 12.2 162.7 -74.7 93.4 83.2 49.8 7.8 339 436 A M - 0 0 154 -2,-1.6 -1,-0.2 -6,-0.1 -5,-0.1 0.986 27.2-157.6 -71.4 -54.8 84.7 52.9 6.4 340 437 A D + 0 0 43 -3,-0.2 3,-0.1 6,-0.1 -2,-0.1 0.979 25.5 163.8 74.4 66.2 81.5 54.4 5.4 341 438 A S S S+ 0 0 108 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.988 71.7 49.7 -72.4 -72.6 82.3 56.8 2.7 342 439 A K S S- 0 0 183 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.482 110.2-121.0 -50.7 0.3 78.9 57.5 1.1 343 440 A R S S+ 0 0 207 -3,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.978 70.9 130.9 51.9 77.8 77.7 58.1 4.6 344 441 A T - 0 0 57 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.600 60.4-137.6-124.9 -36.0 75.0 55.5 4.7 345 442 A G + 0 0 10 1,-0.2 2,-0.6 -15,-0.0 -70,-0.1 0.703 68.9 126.0 75.0 21.2 75.6 53.6 7.9 346 443 A I - 0 0 63 -72,-0.1 -1,-0.2 -71,-0.0 -6,-0.1 -0.797 44.4-168.1-120.3 85.3 74.8 50.7 5.7 347 444 A A - 0 0 1 -2,-0.6 2,-0.1 1,-0.1 -9,-0.0 -0.300 22.2-114.9 -68.5 153.5 77.6 48.2 5.8 348 445 A S > - 0 0 65 1,-0.1 4,-2.0 -15,-0.1 5,-0.2 -0.400 25.2-105.0 -88.5 167.8 77.7 45.4 3.3 349 446 A W H > S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.868 118.7 55.4 -59.0 -38.2 77.2 41.7 3.9 350 447 A G H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 106.8 47.4 -61.0 -51.4 81.0 41.2 3.4 351 448 A A H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.922 114.5 48.7 -56.4 -45.6 82.1 43.7 6.0 352 449 A L H X S+ 0 0 1 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.971 110.6 47.9 -59.9 -55.6 79.6 42.2 8.4 353 450 A W H X S+ 0 0 6 -4,-3.2 4,-3.3 2,-0.2 5,-0.3 0.871 115.5 50.0 -54.3 -35.3 80.7 38.7 7.8 354 451 A E H X S+ 0 0 115 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 1.000 114.0 38.1 -65.5 -72.5 84.2 39.8 8.2 355 452 A G H X S+ 0 0 0 -4,-2.9 4,-3.9 -22,-0.3 -1,-0.2 0.850 119.3 55.7 -48.7 -32.0 84.0 41.7 11.4 356 453 A W H X S+ 0 0 11 -4,-3.2 4,-2.2 -5,-0.4 -2,-0.2 0.998 110.1 38.8 -64.1 -68.4 81.7 39.0 12.4 357 454 A E H X S+ 0 0 64 -4,-3.3 4,-1.5 1,-0.3 -2,-0.2 0.804 119.7 52.5 -49.0 -32.4 84.0 36.0 11.8 358 455 A A H X S+ 0 0 29 -4,-3.4 4,-1.3 2,-0.3 3,-0.5 0.945 103.0 52.7 -67.6 -52.8 86.6 38.3 13.2 359 456 A L H X S+ 0 0 0 -4,-3.9 4,-0.6 1,-0.3 -2,-0.2 0.820 109.4 57.3 -52.2 -28.9 84.6 39.0 16.3 360 457 A Q H X S+ 0 0 53 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.3 0.890 102.0 50.4 -70.0 -44.4 84.6 35.3 16.3 361 458 A S H >X S+ 0 0 69 -4,-1.5 3,-1.8 -3,-0.5 4,-0.9 0.993 107.7 50.0 -57.3 -69.1 88.3 34.7 16.3 362 459 A K H 3X S+ 0 0 110 -4,-1.3 4,-2.0 1,-0.3 3,-0.4 0.781 102.5 66.7 -39.9 -30.6 89.2 37.0 19.2 363 460 A L H 3X S+ 0 0 10 -4,-0.6 4,-3.1 -5,-0.4 5,-0.5 0.984 90.4 59.1 -59.1 -52.1 86.6 35.3 21.0 364 461 A D H X S+ 0 0 41 -4,-0.9 4,-2.1 -3,-0.4 3,-1.6 0.988 112.5 39.6 -63.7 -79.3 91.0 34.2 22.8 366 463 A F H 3X S+ 0 0 59 -4,-2.0 4,-2.8 1,-0.3 5,-0.2 0.840 117.9 49.2 -35.4 -55.5 88.8 35.6 25.5 367 464 A L H 3X S+ 0 0 71 -4,-3.1 4,-1.9 1,-0.2 -1,-0.3 0.871 109.5 54.4 -57.9 -36.4 87.1 32.3 25.9 368 465 A A H X S+ 0 0 86 -4,-1.9 4,-2.4 -5,-0.2 3,-1.8 0.981 117.0 36.7 -63.5 -60.7 88.6 29.0 30.8 372 469 A L H 3< S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.971 102.6 75.5 -53.7 -52.3 92.0 28.7 32.1 373 470 A M T 3< S+ 0 0 163 -4,-4.0 -1,-0.3 1,-0.2 -2,-0.2 0.646 114.6 24.5 -30.2 -26.8 91.3 31.8 34.3 374 471 A A T <4 0 0 88 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.2 0.792 360.0 360.0-102.6 -69.6 89.3 29.3 36.3 375 472 A Q < 0 0 160 -4,-2.4 -3,-0.2 -5,-0.1 -4,-0.0 0.702 360.0 360.0 -87.0 360.0 91.0 25.9 35.5