==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-NOV-10 3AQK . COMPND 2 MOLECULE: POLY(A) POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.TOH,D.TAKESHITA,K.TOMITA . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 3 3 3 1 0 0 1 2 2 0 2 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 18 A V 0 0 138 0, 0.0 132,-0.2 0, 0.0 129,-0.2 0.000 360.0 360.0 360.0 112.5 -15.4 14.3 4.3 2 19 A T + 0 0 88 1,-0.1 2,-0.2 127,-0.1 127,-0.1 -0.117 360.0 29.8-129.1 37.1 -13.7 17.5 3.0 3 20 A V - 0 0 69 124,-0.2 124,-0.2 125,-0.1 -1,-0.1 -0.886 54.0-156.6 177.9 155.3 -13.2 16.6 -0.7 4 21 A I B -A 126 0A 15 122,-0.9 122,-1.4 -2,-0.2 2,-0.2 -0.931 27.2-121.4-148.6 123.0 -14.7 14.5 -3.6 5 22 A P >> - 0 0 70 0, 0.0 3,-2.3 0, 0.0 4,-0.9 -0.413 38.2 -92.4 -69.0 130.6 -12.7 13.3 -6.7 6 23 A R G >4 S+ 0 0 148 117,-0.5 3,-0.7 1,-0.3 6,-0.5 0.473 118.8 28.3 2.3 -89.9 -13.7 14.2 -10.3 7 24 A E G 34 S+ 0 0 153 1,-0.2 4,-0.3 4,-0.1 -1,-0.3 0.759 111.8 67.1 -61.9 -30.3 -16.0 11.3 -11.3 8 25 A Q G <4 S+ 0 0 144 -3,-2.3 2,-0.3 2,-0.1 -1,-0.2 0.838 88.0 71.3 -64.9 -34.2 -17.3 10.5 -7.8 9 26 A H S X< S- 0 0 15 -4,-0.9 3,-0.7 -3,-0.7 -5,-0.0 -0.699 121.6 -67.5 -83.6 135.9 -19.2 13.7 -7.3 10 27 A A T 3 S- 0 0 48 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.132 80.2 -80.8 -22.8 112.7 -22.3 13.9 -9.5 11 28 A I T 3 - 0 0 110 -4,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.101 54.2-172.2 -30.6 88.4 -20.6 14.1 -12.9 12 29 A S <> - 0 0 21 -3,-0.7 4,-0.6 -6,-0.5 -1,-0.2 0.923 19.6-155.1 -54.0 -46.6 -19.8 17.8 -12.7 13 30 A R T >4 - 0 0 123 2,-0.2 3,-0.9 1,-0.1 4,-0.2 0.802 25.3-128.7 67.4 113.1 -18.6 17.6 -16.3 14 31 A K G >4 S+ 0 0 76 1,-0.2 3,-1.3 2,-0.1 -1,-0.1 0.820 104.7 82.9 -56.0 -20.7 -16.2 20.4 -17.0 15 32 A D G 34 S+ 0 0 123 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.786 79.9 46.7 -53.0 -51.1 -18.8 20.5 -19.7 16 33 A I G << S+ 0 0 38 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.2 0.319 93.9 95.7 -85.0 15.8 -21.8 22.4 -18.3 17 34 A S S < S- 0 0 30 -3,-1.3 36,-0.0 -4,-0.2 -5,-0.0 -0.820 71.0-131.7-101.3 141.3 -19.4 25.2 -17.1 18 35 A E > - 0 0 71 -2,-0.4 3,-0.8 1,-0.1 4,-0.4 0.416 34.2 -72.8 -83.0-157.3 -19.0 28.1 -19.4 19 36 A N T >> S+ 0 0 89 1,-0.3 3,-2.2 2,-0.2 4,-0.7 0.789 125.3 76.0 -64.9 -27.3 -16.8 30.6 -21.2 20 37 A A H >> S+ 0 0 6 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.891 83.5 58.2 -48.3 -44.7 -16.8 31.5 -17.6 21 38 A L H <4 S+ 0 0 32 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.760 91.6 74.4 -57.2 -25.5 -14.4 28.6 -17.1 22 39 A K H X> S+ 0 0 141 -3,-2.2 3,-2.0 -4,-0.4 4,-0.7 0.938 91.0 52.6 -52.6 -53.5 -12.2 30.4 -19.6 23 40 A V H XX S+ 0 0 21 -3,-0.9 3,-0.8 -4,-0.7 4,-0.8 0.848 94.7 71.7 -53.5 -39.7 -11.2 33.0 -17.1 24 41 A M H 3X S+ 0 0 17 -4,-0.8 4,-1.5 1,-0.2 10,-0.4 0.593 95.7 53.7 -55.7 -13.7 -10.1 30.2 -14.6 25 42 A Y H <> S+ 0 0 91 -3,-2.0 4,-1.2 -4,-0.3 5,-0.3 0.804 96.4 58.7 -95.2 -32.2 -7.1 29.4 -16.8 26 43 A R H - 0 0 1 17,-1.7 3,-1.1 -2,-0.3 17,-0.5 -0.817 31.5 -9.3-141.6 177.4 -18.8 28.3 -5.7 38 55 A G T 3>>S+ 0 0 3 79,-0.2 4,-2.0 1,-0.2 5,-0.6 -0.045 107.1 53.5 39.0-101.1 -22.5 28.5 -4.7 39 56 A G T 345S+ 0 0 10 1,-0.2 12,-1.0 2,-0.2 4,-0.3 0.750 127.0 22.0 -35.6 -40.0 -24.8 29.7 -7.4 40 57 A G T <>5S+ 0 0 0 -3,-1.1 4,-4.5 10,-0.2 5,-0.2 0.888 123.2 53.4 -96.6 -51.7 -23.7 27.1 -9.9 41 58 A V H >5S+ 0 0 4 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.916 108.6 46.1 -47.7 -62.9 -22.3 24.5 -7.6 42 59 A R H X5S+ 0 0 45 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.958 121.7 41.1 -47.3 -57.9 -25.2 23.9 -5.3 43 60 A D H >> - 0 0 38 1,-0.2 4,-2.4 -2,-0.1 5,-0.3 -0.217 25.1-102.1 -61.0 146.2 -6.1 40.0 -4.7 61 78 A P T 4 S+ 0 0 41 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.430 125.7 50.9 -48.7 0.5 -8.4 42.5 -6.5 62 79 A E T > S+ 0 0 123 2,-0.2 4,-3.7 3,-0.1 5,-0.3 0.797 104.0 48.5-106.2 -56.6 -5.2 44.2 -7.5 63 80 A Q H > S+ 0 0 77 1,-0.3 4,-0.5 -3,-0.3 -4,-0.1 0.833 117.1 51.8 -51.0 -30.7 -3.1 41.3 -9.0 64 81 A V H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.3 -1,-0.3 0.881 107.9 44.5 -75.1 -41.8 -6.4 40.8 -10.8 65 82 A R H 4 S+ 0 0 131 -5,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.848 117.6 51.1 -69.8 -27.4 -6.7 44.4 -12.0 66 83 A K H < S+ 0 0 123 -4,-3.7 -2,-0.3 2,-0.1 3,-0.3 0.670 114.8 41.2 -78.2 -21.5 -3.1 43.8 -12.8 67 84 A L H < S+ 0 0 28 -4,-0.5 3,-0.4 -5,-0.3 2,-0.4 0.896 124.7 31.5 -92.9 -54.5 -3.9 40.5 -14.7 68 85 A F S < S+ 0 0 16 -4,-2.7 5,-0.4 1,-0.2 -1,-0.2 -0.324 74.0 136.2 -99.1 48.7 -7.0 41.3 -16.7 69 86 A R S S+ 0 0 154 -2,-0.4 -1,-0.2 -3,-0.3 -3,-0.1 0.765 77.2 50.6 -62.8 -20.4 -5.8 44.9 -17.0 70 87 A N S S+ 0 0 113 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.971 88.2 82.4 -78.6 -67.2 -7.0 44.2 -20.5 71 88 A C S S- 0 0 35 1,-0.2 2,-4.9 12,-0.0 14,-0.1 -0.022 100.2 -88.4 -47.6 145.0 -10.6 42.7 -20.3 72 89 A R - 0 0 188 12,-0.3 12,-0.4 11,-0.1 -1,-0.2 -0.101 60.5-176.3 -59.6 59.6 -13.5 45.1 -20.0 73 90 A L + 0 0 61 -2,-4.9 2,-0.3 -5,-0.4 10,-0.2 -0.241 8.5 164.3 -56.6 139.1 -13.2 45.0 -16.3 74 91 A V B +E 82 0B 79 8,-1.5 8,-2.0 1,-0.1 -1,-0.0 -0.924 22.9 82.7-151.1 169.4 -16.0 47.0 -14.5 75 92 A G - 0 0 23 -2,-0.3 7,-0.2 6,-0.2 -1,-0.1 0.905 49.0-148.1 92.4 89.5 -17.5 47.3 -11.0 76 93 A R + 0 0 214 5,-0.1 2,-0.1 6,-0.0 -2,-0.0 -0.198 51.5 81.7 -78.6 170.7 -16.0 49.4 -8.2 77 94 A R S S- 0 0 168 4,-0.0 0, 0.0 -2,-0.0 0, 0.0 -0.137 91.7 -40.8 107.2 156.8 -16.2 48.6 -4.5 78 95 A F S S- 0 0 113 -2,-0.1 -2,-0.0 3,-0.0 0, 0.0 -0.134 107.4 -34.6 -51.2 139.1 -13.9 46.3 -2.5 79 96 A R S S+ 0 0 36 1,-0.1 14,-0.1 14,-0.1 16,-0.0 -0.249 101.0 106.8 48.5-126.6 -12.9 43.0 -4.1 80 97 A L + 0 0 29 14,-0.2 2,-0.4 1,-0.1 13,-0.2 0.727 49.4 174.4 26.0 59.4 -16.1 42.1 -6.0 81 98 A A E - F 0 92B 31 11,-2.5 11,-0.8 -8,-0.0 2,-0.7 -0.779 22.3-144.5 -95.2 135.2 -14.8 42.9 -9.5 82 99 A H E -EF 74 91B 62 -8,-2.0 -8,-1.5 -2,-0.4 2,-0.5 -0.840 9.8-163.2-102.5 108.0 -17.0 42.1 -12.5 83 100 A V E - F 0 90B 15 7,-1.6 7,-2.2 -2,-0.7 2,-0.3 -0.770 20.1-134.2 -92.0 131.4 -15.2 40.9 -15.7 84 101 A M E + F 0 89B 70 -2,-0.5 -12,-0.3 -12,-0.4 5,-0.2 -0.643 39.8 158.1 -95.6 144.1 -17.4 41.1 -18.8 85 102 A F - 0 0 78 3,-1.0 4,-0.2 -2,-0.3 -1,-0.1 0.644 62.0-100.6-118.1 -47.9 -18.1 38.6 -21.7 86 103 A G S S+ 0 0 39 2,-0.7 -1,-0.2 0, 0.0 3,-0.0 -0.765 102.8 12.4 156.4-103.3 -21.4 40.0 -22.9 87 104 A P S S+ 0 0 151 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.348 129.9 64.0 -83.2 10.6 -24.7 38.2 -22.0 88 105 A E + 0 0 36 -36,-0.0 -3,-1.0 2,-0.0 -2,-0.7 -0.946 65.9 179.2-136.9 113.0 -22.5 36.5 -19.5 89 106 A I E - F 0 84B 58 -2,-0.4 -36,-0.5 -5,-0.2 2,-0.5 -0.798 16.7-144.7-110.8 156.8 -20.6 38.3 -16.6 90 107 A I E - F 0 83B 1 -7,-2.2 -7,-1.6 -2,-0.3 -36,-0.2 -0.883 8.6-143.2-129.7 104.2 -18.4 36.8 -14.0 91 108 A E E - F 0 82B 54 -2,-0.5 -36,-1.7 -38,-0.5 2,-0.4 -0.227 14.8-160.0 -57.4 146.9 -18.3 38.0 -10.4 92 109 A V E +dF 55 81B 20 -11,-0.8 -11,-2.5 -38,-0.1 2,-0.3 -0.855 16.6 168.0-138.5 103.3 -14.8 37.9 -8.9 93 110 A A E -d 56 0B 30 -38,-1.6 -36,-1.1 -2,-0.4 2,-0.3 -0.858 22.6-144.1-112.0 146.9 -14.5 38.0 -5.1 94 111 A T E -d 57 0B 7 -2,-0.3 -36,-0.2 -38,-0.2 -14,-0.2 -0.752 36.5 -85.0-106.3 157.6 -11.3 37.3 -3.2 95 112 A F 0 0 7 -38,-0.8 -1,-0.2 -2,-0.3 8,-0.1 -0.002 360.0 360.0 -57.6 165.7 -11.3 35.5 0.1 96 113 A R 0 0 71 6,-0.3 11,-0.1 4,-0.2 -1,-0.1 -0.323 360.0 360.0-160.5 360.0 -11.8 37.3 3.4 97 ! 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 98 138 A N 0 0 195 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -16.9 -6.4 40.6 8.7 99 139 A I + 0 0 108 -4,-0.0 2,-0.2 -3,-0.0 0, 0.0 0.655 360.0 34.1-109.7 -32.8 -9.0 41.1 6.0 100 140 A F + 0 0 113 -4,-0.1 2,-0.3 -40,-0.0 -4,-0.2 -0.614 67.8 112.8-119.7 177.1 -8.1 38.4 3.5 101 141 A G + 0 0 34 -2,-0.2 5,-0.2 -43,-0.1 -6,-0.2 -0.994 52.4 16.9 156.4-162.1 -6.7 34.8 3.8 102 142 A S > - 0 0 83 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 -0.032 60.0-126.3 -45.1 139.2 -7.3 31.1 3.3 103 143 A I H > S+ 0 0 29 1,-0.3 4,-0.6 2,-0.3 -1,-0.2 0.896 120.1 57.3 -55.7 -37.2 -10.2 30.2 1.1 104 144 A E H >> S+ 0 0 108 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.889 102.2 57.4 -59.3 -34.2 -11.2 28.1 4.1 105 145 A E H 34 S+ 0 0 86 -3,-0.4 4,-0.4 1,-0.3 -2,-0.3 0.883 105.3 46.4 -63.1 -40.6 -11.0 31.5 5.7 106 146 A D H 3X S+ 0 0 4 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.3 0.494 101.0 73.2 -80.3 -0.7 -13.6 32.9 3.3 107 147 A A H X< S+ 0 0 17 -3,-0.9 3,-1.1 -4,-0.6 -2,-0.2 0.958 96.2 45.8 -74.3 -51.3 -15.6 29.7 4.0 108 148 A Q T 3< S+ 0 0 121 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.615 105.9 60.7 -66.0 -16.2 -16.6 30.9 7.5 109 149 A R T 34 S+ 0 0 104 -4,-0.4 -1,-0.3 35,-0.1 -2,-0.2 0.720 94.5 78.1 -84.2 -20.1 -17.5 34.4 6.2 110 150 A R S << S- 0 0 59 -3,-1.1 34,-0.2 -4,-0.6 6,-0.1 -0.298 77.9-132.3 -82.0 171.4 -20.1 32.9 3.9 111 151 A D + 0 0 22 1,-0.1 33,-1.4 32,-0.1 2,-0.4 0.871 63.7 44.2-100.2 -40.0 -23.5 31.8 5.0 112 152 A F B > -G 143 0C 12 31,-0.2 3,-0.6 1,-0.1 4,-0.5 -0.899 56.5-135.0-126.2 147.2 -24.9 28.4 4.0 113 153 A T G > S+ 0 0 5 29,-1.5 3,-0.7 -2,-0.4 19,-0.1 0.846 106.7 35.9 -54.4 -50.0 -23.8 24.8 3.6 114 154 A I G 3 S+ 0 0 17 1,-0.2 -1,-0.3 26,-0.2 3,-0.2 0.511 114.3 64.6 -87.5 -0.1 -25.1 23.8 0.2 115 155 A N G < S+ 0 0 24 -3,-0.6 -1,-0.2 27,-0.2 -2,-0.2 0.472 99.7 48.2 -96.7 -7.2 -24.4 27.3 -0.9 116 156 A S < + 0 0 20 -3,-0.7 2,-0.4 -4,-0.5 13,-0.3 -0.491 62.1 135.9-139.2 73.5 -20.6 27.3 -0.6 117 157 A L - 0 0 9 -3,-0.2 2,-0.3 -2,-0.1 -79,-0.2 -0.954 38.8-142.5-119.4 135.6 -18.7 24.3 -2.1 118 158 A Y + 0 0 2 9,-0.8 9,-0.5 -2,-0.4 2,-0.3 -0.733 22.6 162.6-106.7 149.4 -15.5 25.0 -4.1 119 159 A Y B -C 36 0B 38 -83,-1.0 -83,-2.4 -2,-0.3 2,-0.3 -0.912 18.1-154.9-169.2 143.2 -13.7 23.7 -7.2 120 160 A S > - 0 0 4 5,-0.5 4,-2.7 -2,-0.3 5,-0.4 -0.690 29.0-128.6-105.7 155.0 -11.0 24.3 -9.9 121 161 A V T 4 S+ 0 0 10 -87,-0.3 -1,-0.1 -2,-0.3 -86,-0.1 0.770 112.0 66.3 -72.0 -25.8 -10.6 22.9 -13.4 122 162 A A T 4 S+ 0 0 59 -88,-0.2 -1,-0.2 1,-0.2 -97,-0.0 0.863 116.0 22.8 -62.8 -36.4 -7.2 22.1 -12.1 123 163 A D T 4 S- 0 0 51 -3,-0.3 -117,-0.5 2,-0.2 -2,-0.2 0.735 76.7-151.4-103.9 -29.6 -8.6 19.6 -9.7 124 164 A F < + 0 0 61 -4,-2.7 2,-0.4 1,-0.2 -112,-0.1 0.778 66.9 111.5 58.3 22.3 -12.0 18.5 -10.9 125 165 A T - 0 0 24 -5,-0.4 -5,-0.5 -120,-0.2 -1,-0.2 -0.986 61.8-138.1-130.8 142.3 -12.6 18.0 -7.2 126 166 A V B -A 4 0A 7 -122,-1.4 -122,-0.9 -2,-0.4 2,-0.3 -0.263 12.6-132.9 -87.6 176.8 -14.9 19.8 -4.9 127 167 A R - 0 0 63 -9,-0.5 2,-1.4 -124,-0.2 -9,-0.8 -0.779 11.4-166.9-143.0 98.7 -14.2 21.0 -1.2 128 168 A D + 0 0 4 -2,-0.3 -125,-0.1 1,-0.2 -11,-0.1 -0.549 17.7 164.3 -85.6 77.9 -16.7 20.4 1.7 129 169 A Y S S+ 0 0 64 -2,-1.4 2,-0.3 -13,-0.3 -1,-0.2 0.340 75.2 28.7 -76.2 11.9 -15.5 22.5 4.6 130 170 A V S > S- 0 0 58 -129,-0.2 3,-0.6 -17,-0.1 14,-0.0 -0.944 107.8 -80.0-156.6 171.4 -19.0 21.9 6.1 131 171 A G T >> S+ 0 0 42 -2,-0.3 3,-2.6 1,-0.2 4,-2.0 0.387 82.4 132.0 -60.3 7.4 -21.7 19.3 6.0 132 172 A G H 3> + 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.687 62.6 52.1 -28.3 -47.3 -22.6 20.9 2.7 133 173 A M H <> S+ 0 0 47 -3,-0.6 4,-1.4 2,-0.2 -1,-0.3 0.700 111.8 43.8 -72.6 -23.4 -22.9 17.6 0.8 134 174 A K H <> S+ 0 0 142 -3,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.827 110.5 55.4 -88.1 -36.6 -25.3 15.9 3.2 135 175 A D H <>S+ 0 0 14 -4,-2.0 5,-1.9 1,-0.2 4,-0.3 0.942 113.3 43.1 -58.4 -43.5 -27.4 19.0 3.5 136 176 A L H ><5S+ 0 0 16 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.918 111.9 54.5 -67.2 -43.1 -27.7 18.8 -0.3 137 177 A K H 3<5S+ 0 0 165 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 119.6 30.8 -56.3 -47.5 -28.3 15.1 -0.3 138 178 A D T 3<5S- 0 0 61 -4,-3.0 -1,-0.2 2,-0.1 33,-0.2 0.190 111.5-111.2-101.0 15.1 -31.2 15.3 2.1 139 179 A G T < 5 + 0 0 15 -3,-1.0 32,-0.9 -4,-0.3 2,-0.3 0.978 62.7 149.6 52.8 74.1 -32.6 18.7 1.2 140 180 A V B < -h 171 0D 11 -5,-1.9 2,-0.4 30,-0.2 32,-0.3 -0.990 43.4-125.4-145.2 134.2 -31.8 20.7 4.3 141 181 A I - 0 0 5 30,-2.4 2,-0.5 -2,-0.3 32,-0.3 -0.581 28.0-172.6 -81.1 128.7 -30.9 24.4 5.1 142 182 A R - 0 0 82 -2,-0.4 -29,-1.5 30,-0.1 -27,-0.2 -0.919 22.8-158.0-130.6 120.5 -27.8 25.3 7.0 143 183 A L B -G 112 0C 3 -2,-0.5 -31,-0.2 -31,-0.2 -32,-0.1 -0.580 32.9-129.8 -78.0 158.1 -26.3 28.4 8.5 144 184 A I S S+ 0 0 47 -33,-1.4 -1,-0.2 -34,-0.2 -13,-0.1 0.923 76.0 0.5 -76.8 -48.0 -22.6 27.7 8.7 145 185 A G S S- 0 0 33 -34,-0.2 -2,-0.1 1,-0.2 -34,-0.0 0.483 112.4 -8.9-108.5-117.1 -22.0 28.7 12.3 146 186 A N > - 0 0 86 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.817 46.5-157.1 -94.3 117.1 -23.9 30.0 15.4 147 187 A P H > S+ 0 0 16 0, 0.0 4,-1.2 0, 0.0 5,-0.3 0.970 92.7 51.9 -53.9 -69.7 -27.5 31.1 14.6 148 188 A E H > S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.782 120.2 35.8 -31.8 -47.9 -27.8 33.4 17.6 149 189 A T H > S+ 0 0 63 -3,-0.2 4,-2.8 1,-0.2 5,-0.3 0.972 108.9 61.0 -73.1 -61.6 -24.6 35.2 16.6 150 190 A R H X S+ 0 0 26 -4,-2.8 4,-0.6 1,-0.2 7,-0.3 0.545 111.8 39.3 -46.2 -15.8 -24.8 35.1 12.8 151 191 A Y H < S+ 0 0 1 -4,-1.2 -1,-0.2 -5,-0.2 5,-0.2 0.814 110.8 51.9-103.4 -48.9 -28.0 37.1 12.8 152 192 A R H < S+ 0 0 140 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.1 0.914 115.9 48.6 -51.2 -36.0 -27.5 39.7 15.5 153 193 A E H < S- 0 0 148 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.921 141.3 -3.1 -67.5 -48.9 -24.3 40.2 13.4 154 194 A D >< - 0 0 42 -4,-0.6 3,-1.8 -5,-0.3 -1,-0.3 -0.761 65.2-173.2-148.0 94.6 -26.2 40.4 10.1 155 195 A P T >> S+ 0 0 10 0, 0.0 3,-1.9 0, 0.0 4,-0.6 0.667 79.0 78.8 -63.3 -16.9 -29.9 39.8 10.6 156 196 A V H 3> S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.792 77.3 72.5 -61.9 -27.6 -30.2 39.8 6.8 157 197 A R H <> S+ 0 0 39 -3,-1.8 4,-1.6 -7,-0.3 -1,-0.3 0.751 86.3 66.7 -59.3 -22.6 -28.9 36.3 6.9 158 198 A M H <> S+ 0 0 1 -3,-1.9 4,-1.2 -4,-0.2 -1,-0.2 0.986 101.8 45.0 -62.0 -56.2 -32.4 35.4 8.3 159 199 A L H >X S+ 0 0 4 -4,-0.6 4,-3.3 -3,-0.3 3,-0.9 0.906 107.7 53.9 -55.7 -52.3 -34.1 36.2 5.1 160 200 A R H 3X S+ 0 0 57 -4,-1.5 4,-2.3 1,-0.3 5,-0.2 0.949 106.0 58.5 -49.3 -45.9 -31.7 34.5 2.6 161 201 A A H 3X S+ 0 0 8 -4,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.854 111.0 38.0 -52.6 -40.7 -32.3 31.4 4.8 162 202 A V H S+ 0 0 12 -4,-1.2 5,-0.7 -3,-0.3 -2,-0.2 0.833 110.2 53.7 -63.6 -25.6 -35.9 26.8 1.5 166 206 A A H <5S+ 0 0 11 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 105.0 47.9 -75.7 -46.0 -38.5 28.3 -0.6 167 207 A K H <5S+ 0 0 61 -4,-1.3 2,-0.4 -5,-0.2 -2,-0.2 0.907 113.7 51.1 -63.2 -42.7 -36.9 27.9 -4.0 168 208 A L T <5S- 0 0 26 -4,-2.0 2,-3.8 2,-0.2 -1,-0.0 -0.792 91.1-121.9 -98.2 138.0 -36.0 24.4 -3.4 169 209 A G T 5S+ 0 0 99 -2,-0.4 2,-0.4 2,-0.0 -3,-0.1 -0.176 81.2 114.5 -71.6 48.9 -38.6 21.9 -2.3 170 210 A M < - 0 0 26 -2,-3.8 -2,-0.2 -5,-0.7 -30,-0.2 -0.984 62.4-119.8-130.6 140.1 -36.3 21.4 0.6 171 211 A R B -h 140 0D 143 -32,-0.9 -30,-2.4 -2,-0.4 -5,-0.0 -0.258 19.0-114.4 -80.6 155.5 -36.6 22.1 4.4 172 212 A I - 0 0 45 -32,-0.3 -1,-0.1 1,-0.1 -30,-0.1 0.017 40.2 -91.1 -71.8-177.3 -34.7 24.2 6.9 173 213 A S > - 0 0 3 -32,-0.3 4,-3.1 -33,-0.1 5,-0.3 -0.881 20.8-128.3-109.0 134.6 -32.6 22.9 9.9 174 214 A P H > S+ 0 0 102 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.808 111.1 36.2 -41.9 -42.2 -34.0 22.3 13.5 175 215 A E H 4 S+ 0 0 88 2,-0.2 -33,-0.1 1,-0.1 -3,-0.0 0.840 117.7 47.8 -84.7 -39.1 -31.2 24.4 15.0 176 216 A T H 4 S+ 0 0 5 -35,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.770 113.0 54.3 -71.5 -28.0 -30.8 27.1 12.3 177 217 A A H < S+ 0 0 17 -4,-3.1 3,-0.2 1,-0.1 -2,-0.2 0.827 92.5 65.4 -76.7 -40.5 -34.6 27.5 12.4 178 218 A E S X S+ 0 0 94 -4,-1.0 4,-0.7 -5,-0.3 -2,-0.1 0.932 90.8 62.2 -54.8 -54.4 -35.5 28.2 16.0 179 219 A P H >> S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.855 91.7 65.6 -38.0 -59.1 -33.7 31.5 16.5 180 220 A I H 3> S+ 0 0 10 -4,-0.4 4,-4.3 1,-0.2 -2,-0.1 0.778 87.8 58.3 -42.9 -55.2 -35.7 33.6 14.0 181 221 A P H 34 S+ 0 0 52 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.938 119.6 40.1 -44.0 -40.7 -39.4 33.8 15.2 182 222 A R H << S+ 0 0 127 -3,-1.0 3,-0.3 -4,-0.7 -2,-0.2 0.976 124.5 31.8 -69.1 -63.0 -37.6 35.3 18.2 183 223 A L H >< S+ 0 0 11 -4,-1.8 3,-4.0 1,-0.2 4,-0.3 0.805 90.7 109.2 -66.5 -33.0 -34.9 37.6 16.7 184 224 A A G >< S+ 0 0 4 -4,-4.3 3,-2.0 -5,-0.3 -1,-0.2 0.602 70.9 54.4 -3.3 -86.2 -37.2 38.2 13.8 185 225 A T G > S+ 0 0 93 -4,-0.4 3,-2.4 -3,-0.3 -1,-0.3 0.627 82.0 90.8 -27.9 -39.3 -37.9 41.8 14.7 186 226 A L G X + 0 0 40 -3,-4.0 3,-1.6 1,-0.3 -1,-0.3 0.729 68.7 77.8 -35.9 -35.3 -34.2 42.6 14.8 187 227 A L G X + 0 0 4 -3,-2.0 3,-4.2 -4,-0.3 -1,-0.3 0.911 68.7 87.3 -44.9 -49.8 -34.5 43.6 11.2 188 228 A N G < S+ 0 0 134 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.599 85.6 52.2 -24.5 -37.7 -36.1 46.9 12.1 189 229 A D G < S+ 0 0 121 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 0.518 84.2 102.2 -86.4 -3.6 -32.6 48.6 12.5 190 230 A I S < S- 0 0 19 -3,-4.2 5,-0.1 -4,-0.2 -36,-0.0 -0.683 93.1 -95.1 -79.3 127.7 -31.4 47.5 9.0 191 231 A P >> - 0 0 76 0, 0.0 3,-2.1 0, 0.0 4,-1.4 -0.127 36.7-118.7 -41.5 134.1 -31.7 50.5 6.6 192 232 A P H 3> S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.764 110.6 54.4 -50.0 -35.3 -35.0 50.2 4.7 193 233 A A H 34 S+ 0 0 40 2,-0.3 4,-0.4 116,-0.2 5,-0.1 0.609 101.1 57.6 -79.1 -13.3 -33.5 49.8 1.3 194 234 A H H <> S+ 0 0 103 -3,-2.1 4,-1.5 2,-0.2 3,-0.4 0.842 113.8 42.6 -78.8 -35.3 -31.2 46.9 2.4 195 235 A L H X S+ 0 0 8 -4,-1.4 4,-0.5 1,-0.2 -2,-0.3 0.944 107.1 60.2 -70.8 -49.6 -34.6 45.4 3.2 196 236 A F H X S+ 0 0 11 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.671 109.6 43.1 -54.5 -16.7 -36.2 46.6 0.1 197 237 A E H > S+ 0 0 107 -4,-0.4 4,-1.7 -3,-0.4 -1,-0.2 0.809 109.4 52.2-101.0 -34.0 -33.7 44.6 -2.0 198 238 A E H < S+ 0 0 15 -4,-1.5 4,-0.2 -3,-0.2 -2,-0.2 0.387 107.2 63.1 -78.9 4.5 -33.6 41.4 -0.1 199 239 A S H >X S+ 0 0 9 -4,-0.5 3,-1.2 2,-0.2 4,-1.2 0.905 102.7 40.5 -90.9 -60.1 -37.4 41.7 -0.5 200 240 A L H 3X S+ 0 0 48 -4,-0.9 4,-0.9 1,-0.3 -2,-0.2 0.979 109.5 62.5 -50.5 -62.1 -37.7 41.5 -4.2 201 241 A K H 3< S+ 0 0 111 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.752 105.4 51.1 -33.8 -35.9 -35.0 38.8 -4.2 202 242 A L H <4 S- 0 0 6 -3,-1.2 5,-0.3 -4,-0.2 3,-0.2 1.000 128.6 -0.3 -70.2 -74.0 -37.4 36.7 -2.1 203 243 A L H >X>S+ 0 0 20 -4,-1.2 5,-1.9 4,-0.2 3,-1.7 0.827 123.0 61.0 -91.5 -41.5 -40.8 36.5 -3.8 204 244 A Q T 3<5S+ 0 0 42 -4,-0.9 -1,-0.2 -5,-0.4 -4,-0.1 -0.021 86.5 91.5 -77.8 35.7 -40.6 38.6 -7.1 205 245 A A T 345S- 0 0 42 -2,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.259 117.3-103.2-105.6 0.1 -38.0 35.8 -7.6 206 246 A G T <45S+ 0 0 0 -3,-1.7 -2,-0.2 49,-0.0 -3,-0.1 0.640 115.4 80.4 83.8 13.8 -40.7 33.8 -9.2 207 247 A Y T >X5 + 0 0 59 -4,-0.8 3,-1.3 -5,-0.3 4,-1.1 0.572 54.3 121.9-122.6 -14.9 -40.9 31.9 -6.0 208 248 A G H 3>< + 0 0 0 -5,-1.9 4,-2.9 1,-0.2 5,-0.4 0.505 60.4 59.1 -11.9 -71.7 -42.9 34.2 -4.0 209 249 A Y H 3> S+ 0 0 69 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.880 114.9 36.8 -40.9 -54.4 -46.1 32.2 -2.9 210 250 A E H <> S+ 0 0 62 -3,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.912 113.7 58.5 -68.6 -38.5 -44.1 29.5 -1.1 211 251 A T H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.914 112.6 39.3 -55.3 -43.8 -41.6 32.1 0.1 212 252 A Y H X S+ 0 0 28 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.812 103.9 66.2 -77.4 -29.6 -44.3 34.0 1.9 213 253 A K H X S+ 0 0 107 -4,-1.9 4,-1.2 -5,-0.4 -1,-0.2 0.946 114.0 36.8 -53.8 -40.1 -46.1 30.9 3.0 214 254 A L H X S+ 0 0 23 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.923 114.0 53.0 -76.4 -50.9 -42.9 30.6 5.1 215 255 A L H ><>S+ 0 0 12 -4,-2.5 5,-2.4 2,-0.2 6,-1.5 0.881 107.2 51.6 -55.6 -45.8 -42.2 34.2 5.9 216 256 A C H ><5S+ 0 0 32 -4,-2.7 3,-2.6 1,-0.3 6,-0.3 0.985 107.6 54.0 -53.8 -58.5 -45.6 34.8 7.4 217 257 A E H 3<5S+ 0 0 118 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.515 107.1 51.0 -52.7 -14.7 -45.2 31.7 9.6 218 258 A Y T <<5S- 0 0 39 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.128 110.7-118.5-112.9 17.7 -41.9 33.0 11.0 219 259 A H T < 5S+ 0 0 122 -3,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.835 87.6 117.2 46.5 36.8 -43.4 36.4 11.9 220 260 A L >< + 0 0 0 -5,-2.4 4,-0.8 -6,-0.2 -4,-0.2 0.665 63.2 61.3 -99.4 -29.9 -40.8 37.7 9.4 221 261 A F H >> S+ 0 0 8 -6,-1.5 4,-1.6 1,-0.2 3,-0.9 0.986 93.3 70.3 -59.1 -54.4 -43.4 39.0 7.1 222 262 A Q H 34 S+ 0 0 90 -6,-0.3 7,-0.2 -7,-0.2 3,-0.2 0.782 92.9 50.5 -29.6 -62.7 -44.5 41.2 9.9 223 263 A P H 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.878 111.9 44.0 -51.6 -47.2 -41.5 43.6 10.1 224 264 A L H << S+ 0 0 15 -3,-0.9 3,-0.2 -4,-0.8 -2,-0.2 0.852 122.7 37.0 -68.2 -36.8 -41.3 44.6 6.4 225 265 A F X + 0 0 13 -4,-1.6 4,-2.5 -3,-0.2 5,-0.3 -0.560 64.2 144.8-117.4 66.3 -45.0 45.1 6.0 226 266 A P H > S+ 0 0 35 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.999 76.9 58.7 -57.7 -59.9 -46.1 46.6 9.2 227 267 A T H 4 S+ 0 0 1 1,-0.2 4,-0.1 -3,-0.2 -2,-0.1 0.746 116.2 34.8 -32.5 -47.3 -48.6 48.6 7.2 228 268 A I H >4 S+ 0 0 0 2,-0.1 3,-4.5 1,-0.1 4,-0.3 0.956 102.0 63.2 -79.6 -65.6 -50.1 45.3 6.0 229 269 A T H >< S+ 0 0 28 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.795 91.9 74.0 -37.2 -35.6 -49.9 42.6 8.6 230 270 A R T 3< S+ 0 0 162 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 0.763 96.9 49.4 -50.3 -27.4 -52.3 44.8 10.6 231 271 A Y T < S+ 0 0 51 -3,-4.5 -1,-0.3 -4,-0.1 -2,-0.2 0.385 79.1 114.6-100.1 5.3 -55.1 43.8 8.2 232 272 A F < - 0 0 61 -3,-2.0 2,-0.3 -4,-0.3 3,-0.1 -0.172 54.3-145.8 -63.2 170.9 -54.8 40.0 8.1 233 273 A T - 0 0 61 1,-0.1 5,-0.1 5,-0.0 -2,-0.1 -0.888 14.1-125.0-132.9 164.9 -57.7 38.1 9.6 234 274 A E S S+ 0 0 196 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.964 105.7 60.3 -74.4 -57.2 -57.8 34.9 11.5 235 275 A N S S- 0 0 146 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.868 105.6-129.7 -36.5 -47.1 -60.2 32.9 9.4 236 276 A G S S+ 0 0 31 1,-0.1 2,-0.7 0, 0.0 -1,-0.2 0.285 74.4 107.6 109.3 -6.5 -57.7 33.5 6.6 237 277 A D + 0 0 97 4,-0.1 3,-0.1 5,-0.0 -2,-0.1 -0.814 33.5 129.7-111.7 97.4 -60.1 34.7 4.0 238 278 A S > - 0 0 17 -2,-0.7 4,-0.6 1,-0.3 -6,-0.1 -0.426 63.1-119.7-123.4-170.2 -59.8 38.5 3.3 239 279 A P H > S+ 0 0 47 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.725 118.5 51.5 -95.0 -55.5 -59.5 40.0 -0.1 240 280 A M H > S+ 0 0 3 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.800 113.7 46.7 -38.0 -47.3 -56.2 41.5 0.9 241 281 A E H > S+ 0 0 11 -10,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.978 118.1 37.8 -62.4 -57.2 -55.3 38.0 2.0 242 282 A R H X S+ 0 0 58 -4,-0.6 4,-1.8 1,-0.2 3,-0.3 0.892 110.9 62.8 -63.9 -38.6 -56.5 36.1 -1.1 243 283 A I H >X S+ 0 0 10 -4,-4.0 4,-2.8 1,-0.3 3,-0.8 0.960 104.1 45.0 -53.5 -56.2 -55.3 38.9 -3.4 244 284 A I H 3X S+ 0 0 1 -4,-1.7 4,-1.4 -5,-0.3 5,-0.3 0.820 107.2 62.1 -59.9 -26.5 -51.7 38.6 -2.5 245 285 A E H 3X S+ 0 0 68 -4,-1.2 4,-1.7 -3,-0.3 -1,-0.3 0.908 113.1 34.5 -64.6 -39.2 -52.1 34.8 -2.8 246 286 A Q H S+ 0 0 98 -4,-4.7 5,-1.0 1,-0.2 -1,-0.2 0.740 115.4 41.1 -54.9 -23.3 -45.4 34.8 -15.1 255 295 A I H <5S+ 0 0 46 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.2 0.834 101.7 63.8 -92.0 -41.4 -41.7 34.3 -14.4 256 296 A H H <5S+ 0 0 109 -4,-1.6 2,-0.3 -5,-0.4 -2,-0.2 0.578 104.7 58.5 -60.4 -4.5 -41.5 30.6 -14.8 257 297 A N T <5S- 0 0 99 -4,-0.6 -1,-0.3 2,-0.1 -4,-0.0 -0.726 115.0-111.1-128.2 76.7 -42.4 31.8 -18.3 258 298 A D T 5 + 0 0 168 -2,-0.3 2,-0.4 -3,-0.3 -3,-0.2 0.383 69.5 140.9 -9.0 64.5 -39.6 34.1 -19.2 259 299 A M < - 0 0 86 -5,-1.0 -2,-0.1 -4,-0.1 -1,-0.1 -0.980 57.5-111.8-127.8 134.8 -41.8 37.3 -19.1 260 300 A R - 0 0 222 -2,-0.4 2,-0.4 1,-0.0 -5,-0.0 -0.321 33.8-161.4 -59.0 134.2 -40.9 40.7 -17.8 261 301 A V - 0 0 30 -57,-0.1 -1,-0.0 -6,-0.0 -57,-0.0 -0.950 21.4-116.2-120.0 143.7 -42.9 41.4 -14.7 262 302 A N > - 0 0 42 -2,-0.4 4,-0.9 1,-0.2 -2,-0.0 -0.688 17.8-157.9 -83.0 127.7 -43.4 44.9 -13.5 263 303 A P H >> S+ 0 0 46 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.926 92.1 55.3 -68.4 -45.9 -41.8 45.4 -10.1 264 304 A A H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.834 100.0 67.2 -57.1 -33.6 -43.9 48.4 -9.1 265 305 A F H 3> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 92.6 52.1 -59.4 -49.5 -46.9 46.3 -9.8 266 306 A L H X S+ 0 0 21 -4,-1.1 4,-1.4 2,-0.2 3,-0.8 0.990 111.6 40.1 -66.5 -58.5 -46.3 46.6 -4.6 268 308 A A H 3X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.841 112.6 69.7 -55.7 -23.8 -49.3 48.6 -5.6 269 309 A A H 3< S+ 0 0 9 -4,-2.0 4,-0.3 -5,-0.4 -2,-0.2 0.890 105.8 29.6 -59.2 -49.8 -50.6 45.0 -5.8 270 310 A M H X< S+ 0 0 1 -4,-1.8 3,-0.7 -3,-0.8 -2,-0.2 0.973 117.4 54.5 -75.5 -59.5 -50.6 44.2 -2.0 271 311 A F H 3X>S+ 0 0 18 -4,-1.4 4,-4.1 1,-0.2 5,-0.7 0.571 77.1 98.4 -51.3 -20.6 -51.2 47.6 -0.5 272 312 A W H 3X5S+ 0 0 10 -4,-1.1 4,-3.3 -5,-0.3 -1,-0.2 0.913 94.7 33.7 -32.1 -74.1 -54.4 48.3 -2.6 273 313 A Y H <>>S+ 0 0 22 -3,-0.7 4,-3.5 -4,-0.3 5,-0.5 0.971 117.6 53.4 -49.8 -62.9 -56.5 47.3 0.4 274 314 A P H >5S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.904 117.4 38.3 -40.7 -50.2 -54.2 48.6 3.1 275 315 A L H X5S+ 0 0 0 -4,-4.1 4,-3.8 1,-0.2 -2,-0.2 0.859 116.2 56.7 -67.9 -33.8 -54.2 52.0 1.3 276 316 A L H XX S+ 0 0 130 -4,-1.7 4,-2.5 1,-0.2 3,-0.8 0.916 115.1 50.1 -53.7 -47.5 -61.1 56.3 7.4 282 322 A I H 3X S+ 0 0 45 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.904 102.1 67.3 -59.0 -37.5 -59.3 59.5 6.6 283 323 A A H 3<>S+ 0 0 29 -4,-1.8 5,-0.5 -5,-0.4 -1,-0.2 0.825 116.7 19.3 -48.9 -46.0 -62.0 60.3 4.1 284 324 A Q H <<5S+ 0 0 144 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.825 113.3 68.7 -94.5 -44.5 -64.8 60.8 6.7 285 325 A E H <5S+ 0 0 134 -4,-2.5 2,-0.3 -5,-0.3 -2,-0.2 0.476 111.1 38.7 -58.5 -2.3 -62.7 61.3 9.9 286 326 A S T <5S- 0 0 73 -4,-0.6 2,-0.8 -5,-0.2 -1,-0.1 -0.976 95.1-104.6-151.8 140.6 -61.8 64.7 8.2 287 327 A G T 5S+ 0 0 77 -2,-0.3 2,-0.3 6,-0.0 -3,-0.1 -0.517 73.3 107.4 -68.4 105.0 -63.6 67.2 6.1 288 328 A L < - 0 0 95 -2,-0.8 -2,-0.1 -5,-0.5 2,-0.1 -0.907 64.7-101.5-176.1 148.7 -62.5 66.6 2.6 289 329 A T > - 0 0 86 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 -0.318 36.7-109.8 -76.6 158.4 -63.6 65.2 -0.8 290 330 A Y H > S+ 0 0 115 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.944 113.2 54.3 -55.4 -60.8 -62.6 61.8 -2.2 291 331 A H H > S+ 0 0 158 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 120.2 40.9 -41.4 -42.2 -60.2 62.7 -5.1 292 332 A D H >> S+ 0 0 77 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.999 110.2 53.8 -67.8 -67.6 -58.4 64.7 -2.3 293 333 A A H >X S+ 0 0 2 -4,-3.4 4,-1.8 1,-0.3 3,-0.5 0.813 107.3 53.6 -36.0 -47.3 -58.7 62.2 0.5 294 334 A F H >X S+ 0 0 14 -4,-3.1 4,-2.2 1,-0.2 3,-0.5 0.975 95.0 69.6 -54.7 -57.0 -57.1 59.5 -1.6 295 335 A A H S+ 0 0 18 -4,-2.1 4,-5.2 -5,-0.3 5,-0.5 0.986 114.7 46.1 -74.9 -58.6 -46.0 54.9 1.3 303 343 A D H X5S+ 0 0 93 -4,-4.0 4,-1.2 1,-0.2 -3,-0.2 0.862 120.1 45.6 -52.1 -35.7 -44.2 57.1 3.9 304 344 A E H X5S+ 0 0 38 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.977 123.2 30.7 -71.2 -59.6 -45.2 54.4 6.4 305 345 A A H >X5S+ 0 0 5 -4,-2.9 4,-1.6 2,-0.2 3,-0.5 0.890 118.5 57.0 -66.6 -38.5 -44.3 51.3 4.4 306 346 A C H 3<5S+ 0 0 34 -4,-5.2 -1,-0.2 -5,-0.3 -3,-0.2 0.876 103.5 54.7 -58.2 -38.8 -41.5 53.2 2.7 307 347 A R H 3< - 0 0 51 0, 0.0 4,-2.7 0, 0.0 5,-0.1 -0.151 17.9-127.0 -50.5 141.8 -37.4 54.0 -5.3 313 353 A K H > S+ 0 0 177 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 113.2 62.0 -61.4 -30.1 -39.2 57.1 -6.5 314 354 A R H > S+ 0 0 196 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.984 107.5 40.4 -56.9 -57.3 -39.3 55.3 -9.8 315 355 A L H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.921 116.7 48.7 -57.1 -52.6 -41.4 52.5 -8.3 316 356 A T H X S+ 0 0 18 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.968 105.9 55.4 -55.2 -60.3 -43.6 54.8 -6.3 317 357 A T H X S+ 0 0 68 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.771 114.2 43.2 -43.3 -34.9 -44.4 57.2 -9.1 318 358 A L H X S+ 0 0 42 -4,-1.3 4,-3.3 -3,-0.5 5,-0.3 0.953 111.6 51.1 -75.3 -56.8 -45.6 54.3 -11.1 319 359 A T H X S+ 0 0 7 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.829 108.7 54.9 -50.3 -35.9 -47.5 52.6 -8.3 320 360 A R H >X S+ 0 0 60 -4,-3.2 4,-1.7 -5,-0.2 3,-1.5 0.998 110.8 43.9 -59.5 -62.8 -49.1 56.0 -7.7 321 361 A D H 3X S+ 0 0 47 -4,-1.6 4,-1.6 1,-0.3 5,-0.3 0.899 104.2 63.7 -45.1 -54.0 -50.3 56.1 -11.3 322 362 A I H 3X S+ 0 0 0 -4,-3.3 4,-0.5 1,-0.2 -1,-0.3 0.820 112.3 38.8 -44.4 -35.2 -51.4 52.4 -11.3 323 363 A W H XX S+ 0 0 3 -3,-1.5 3,-3.7 -4,-1.1 4,-0.9 0.980 104.0 60.2 -78.1 -70.0 -53.9 53.5 -8.7 324 364 A Q H 3< S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.660 105.6 55.3 -34.1 -23.5 -55.2 56.8 -9.8 325 365 A L H >X S+ 0 0 10 -4,-1.6 4,-4.1 -5,-0.2 3,-3.7 0.828 91.4 69.5 -81.8 -33.5 -56.3 55.0 -13.0 326 366 A Q H << S+ 0 0 3 -3,-3.7 -1,-0.2 -4,-0.5 -2,-0.2 0.744 103.9 47.0 -51.8 -23.6 -58.3 52.6 -10.9 327 367 A L T 3< S+ 0 0 60 -4,-0.9 4,-0.5 -3,-0.1 -1,-0.3 0.408 113.0 46.4 -99.8 -3.9 -60.3 55.6 -10.3 328 368 A R T <4 S+ 0 0 78 -3,-3.7 -2,-0.2 -5,-0.3 3,-0.2 0.725 102.8 59.5-105.9 -33.6 -60.4 56.6 -14.0 329 369 A M S < S+ 0 0 7 -4,-4.1 -3,-0.2 1,-0.2 -2,-0.1 0.690 103.9 62.1 -65.7 -12.2 -61.3 53.2 -15.4 330 370 A S S S+ 0 0 74 -5,-0.5 2,-1.7 1,-0.2 -1,-0.2 0.940 84.8 72.0 -77.7 -48.8 -64.3 53.8 -13.1 331 371 A R S S- 0 0 186 -4,-0.5 -1,-0.2 -3,-0.2 6,-0.0 -0.508 83.3-139.3 -77.8 86.3 -65.8 56.9 -14.6 332 372 A R - 0 0 170 -2,-1.7 2,-0.5 1,-0.1 -3,-0.1 -0.248 30.0-155.1 -42.9 107.5 -67.3 55.5 -17.9 333 373 A Q > - 0 0 37 -5,-0.1 4,-0.8 1,-0.1 -1,-0.1 -0.872 22.1-132.7-106.3 125.1 -66.2 58.5 -20.0 334 374 A G T 4 S- 0 0 39 -2,-0.5 -1,-0.1 1,-0.2 57,-0.1 0.731 98.8 -18.6 -35.5 -39.0 -67.9 59.5 -23.2 335 375 A K T 4 S+ 0 0 146 2,-0.0 4,-0.5 -3,-0.0 -1,-0.2 0.302 115.2 90.7-156.7 5.6 -64.5 59.8 -25.0 336 376 A R T > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.717 72.0 82.6 -79.4 -20.2 -61.8 60.1 -22.4 337 377 A A H X S+ 0 0 3 -4,-0.8 4,-2.9 1,-0.3 3,-0.4 0.942 84.8 55.7 -43.3 -61.5 -61.6 56.3 -22.5 338 378 A W H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.867 105.9 53.9 -40.0 -49.3 -59.4 56.5 -25.6 339 379 A K H >> S+ 0 0 112 -4,-0.5 4,-1.7 -3,-0.4 3,-0.7 0.932 110.1 43.3 -52.5 -56.7 -57.0 58.7 -23.7 340 380 A L H 3< S+ 0 0 12 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.894 106.2 65.3 -58.8 -40.5 -56.5 56.3 -20.7 341 381 A L H 3< S+ 0 0 43 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.874 104.1 44.1 -49.7 -43.8 -56.2 53.5 -23.2 342 382 A E H << S+ 0 0 163 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.893 83.4 126.5 -71.9 -39.4 -53.0 55.0 -24.5 343 383 A H >< - 0 0 32 -4,-1.7 3,-2.7 1,-0.1 4,-0.3 0.211 63.9-129.6 -28.5 122.2 -51.5 55.8 -21.1 344 384 A P T 3 S+ 0 0 124 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.827 105.0 44.4 -40.6 -54.0 -48.0 54.3 -20.7 345 385 A K T 3> S+ 0 0 44 1,-0.2 4,-1.2 2,-0.1 3,-0.5 0.290 85.5 110.6 -85.5 14.8 -48.7 52.6 -17.4 346 386 A F H <> + 0 0 12 -3,-2.7 4,-1.6 1,-0.2 3,-0.5 0.930 58.4 63.7 -56.2 -62.0 -52.0 51.2 -18.4 347 387 A R H > S+ 0 0 154 -3,-0.3 4,-3.1 -4,-0.3 -1,-0.2 0.812 105.7 49.3 -38.2 -42.0 -51.7 47.5 -18.7 348 388 A A H > S+ 0 0 3 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.968 104.1 58.3 -62.8 -51.2 -50.9 47.2 -15.0 349 389 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.5 3,-0.4 0.934 114.6 37.6 -41.8 -60.0 -53.9 49.3 -14.0 350 390 A Y H X S+ 0 0 43 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.960 109.4 61.7 -59.6 -47.6 -56.1 46.9 -15.8 351 391 A D H X S+ 0 0 48 -4,-3.1 4,-1.3 -5,-0.3 -1,-0.2 0.853 109.0 45.4 -45.4 -41.0 -54.1 43.8 -14.7 352 392 A L H X S+ 0 0 9 -4,-2.9 4,-3.2 -3,-0.4 3,-0.5 0.958 106.6 55.0 -65.2 -57.9 -54.9 44.8 -11.1 353 393 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.759 102.0 61.6 -49.5 -26.6 -58.5 45.4 -11.7 354 394 A A H X S+ 0 0 40 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.3 0.980 113.9 33.9 -62.6 -54.8 -58.6 41.9 -13.0 355 395 A L H >X S+ 0 0 17 -4,-1.3 3,-2.5 -3,-0.5 4,-1.7 0.992 115.2 58.9 -58.7 -66.1 -57.5 40.6 -9.7 356 396 A R H 3X S+ 0 0 34 -4,-3.2 4,-1.7 1,-0.3 5,-0.3 0.787 104.4 47.7 -33.0 -56.9 -59.4 43.2 -7.8 357 397 A A H 3<>S+ 0 0 3 -4,-2.3 5,-1.1 1,-0.2 9,-0.3 0.732 112.7 51.5 -66.4 -18.5 -62.8 42.4 -9.1 358 398 A E H <<5S+ 0 0 116 -3,-2.5 -1,-0.2 -4,-0.7 -2,-0.2 0.843 112.4 39.9 -88.4 -37.4 -62.3 38.7 -8.5 359 399 A V H <5S+ 0 0 14 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.980 116.6 49.8 -73.0 -58.5 -61.2 38.7 -4.9 360 400 A E T <5S- 0 0 75 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.691 100.0-146.6 -50.9 -18.8 -63.7 41.4 -3.9 361 401 A R T 5 + 0 0 191 -5,-0.3 2,-0.5 1,-0.2 -3,-0.2 0.904 39.5 161.3 48.5 42.8 -66.1 39.1 -5.7 362 402 A N >>< - 0 0 55 -5,-1.1 4,-2.0 -6,-0.2 3,-0.7 -0.834 35.7-155.3 -98.0 131.9 -67.9 42.3 -6.8 363 403 A A H 3> S+ 0 0 48 -2,-0.5 4,-3.3 1,-0.2 5,-0.3 0.964 90.2 55.7 -70.9 -54.1 -70.3 42.2 -9.7 364 404 A E H 34 S+ 0 0 102 2,-0.2 -1,-0.2 1,-0.2 -7,-0.0 0.364 114.1 43.0 -68.7 13.6 -70.2 45.8 -10.8 365 405 A L H X> S+ 0 0 28 -3,-0.7 4,-2.3 -8,-0.2 3,-1.2 0.646 112.4 48.4-112.7 -59.6 -66.4 45.5 -11.1 366 406 A Q H 3X S+ 0 0 112 -4,-2.0 4,-2.1 -9,-0.3 5,-0.2 0.866 109.6 57.2 -46.8 -37.9 -66.2 42.2 -12.8 367 407 A R H 3X S+ 0 0 171 -4,-3.3 4,-0.9 1,-0.2 -1,-0.3 0.927 109.9 45.5 -56.9 -43.8 -68.9 43.6 -15.1 368 408 A L H <> S+ 0 0 34 -3,-1.2 4,-2.5 -5,-0.3 5,-0.3 0.840 107.9 53.8 -70.3 -40.8 -66.4 46.4 -15.9 369 409 A V H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.891 105.3 54.6 -64.1 -38.3 -63.4 44.3 -16.4 370 410 A K H X S+ 0 0 162 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.836 110.2 50.7 -62.8 -30.5 -65.2 42.2 -19.0 371 411 A W H X S+ 0 0 57 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.947 110.1 43.4 -74.9 -50.0 -65.9 45.5 -20.7 372 412 A W H X S+ 0 0 11 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.859 109.7 64.1 -65.4 -25.5 -62.4 46.9 -20.7 373 413 A G H >X S+ 0 0 15 -4,-2.4 3,-0.8 -5,-0.3 4,-0.8 0.987 112.1 30.5 -58.3 -61.1 -61.5 43.4 -21.8 374 414 A E H >X S+ 0 0 107 -4,-2.0 3,-1.6 1,-0.2 4,-0.7 0.977 117.4 55.3 -62.4 -58.5 -63.4 43.6 -25.0 375 415 A F H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.609 104.1 56.7 -54.5 -10.4 -63.1 47.3 -25.7 376 416 A Q H << S+ 0 0 46 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.746 110.3 40.5 -95.4 -19.8 -59.3 47.1 -25.5 377 417 A V H << S+ 0 0 118 -3,-1.6 -2,-0.2 -4,-0.8 -1,-0.2 0.296 96.0 111.8-104.0 5.0 -58.8 44.5 -28.2 378 418 A S < - 0 0 29 -4,-0.7 -3,-0.0 -5,-0.1 -4,-0.0 -0.231 69.4-123.7 -71.8 170.2 -61.4 46.0 -30.4 379 419 A A > - 0 0 47 1,-0.0 4,-1.0 0, 0.0 -1,-0.1 -0.076 41.9 -95.0 -93.1-163.4 -60.7 47.8 -33.6 380 420 A P H > S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.596 120.4 63.9 -90.1 -14.1 -62.0 51.4 -33.7 381 421 A P H > S+ 0 0 88 0, 0.0 4,-0.7 0, 0.0 -3,-0.0 0.787 111.4 37.2 -81.2 -22.5 -65.3 50.5 -35.4 382 422 A D H > S+ 0 0 97 2,-0.2 4,-2.3 3,-0.1 5,-0.1 0.850 116.8 50.3 -91.4 -42.0 -66.3 48.5 -32.4 383 423 A Q H X S+ 0 0 14 -4,-1.0 4,-1.9 1,-0.2 5,-0.2 0.912 106.2 57.6 -62.3 -40.2 -64.8 50.8 -29.9 384 424 A K H < S+ 0 0 151 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.938 112.2 42.5 -53.2 -47.7 -66.5 53.7 -31.6 385 425 A G H >X S+ 0 0 27 -4,-0.7 3,-0.8 2,-0.2 4,-0.5 0.795 105.5 59.1 -71.8 -34.3 -69.8 51.9 -30.9 386 426 A M H >X S+ 0 0 25 -4,-2.3 3,-2.7 1,-0.3 4,-0.7 0.993 103.8 53.0 -60.2 -57.8 -69.2 50.7 -27.4 387 427 A L H 3X S+ 0 0 8 -4,-1.9 4,-0.7 1,-0.3 -1,-0.3 0.659 104.6 59.9 -51.5 -14.7 -68.8 54.2 -26.2 388 428 A N H <4 S+ 0 0 104 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.585 92.6 62.4 -91.5 -10.3 -72.1 55.0 -27.9 389 429 A E H << S+ 0 0 167 -3,-2.7 -2,-0.2 -4,-0.5 -1,-0.2 0.694 101.0 54.4 -86.6 -18.7 -74.3 52.5 -25.9 390 430 A L H < 0 0 75 -4,-0.7 -2,-0.2 1,-0.1 -1,-0.1 0.900 360.0 360.0 -81.2 -43.3 -73.5 54.3 -22.6 391 431 A D < 0 0 171 -4,-0.7 -2,-0.2 -57,-0.1 -3,-0.1 0.943 360.0 360.0 -71.9 360.0 -74.6 57.8 -23.7