==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 01-MAY-12 4EYK . COMPND 2 MOLECULE: TWIN-ARGININE TRANSLOCATION PATHWAY SIGNAL; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR C.CHANG,J.MACK,S.ZERBS,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.3 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 . 3 0.8 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 . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 1 0 2 0 0 1 3 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 28 A E 0 0 203 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.0 12.9 -9.1 79.1 2 29 A D + 0 0 111 39,-0.1 40,-3.0 2,-0.0 2,-0.3 0.063 360.0 93.6 -90.7 19.3 13.8 -8.2 75.5 3 30 A T E -a 42 0A 56 38,-0.2 2,-0.4 40,-0.0 40,-0.2 -0.853 56.5-167.4-119.6 144.2 13.1 -4.7 76.7 4 31 A F E -a 43 0A 0 38,-2.4 40,-2.6 -2,-0.3 2,-0.4 -0.996 17.5-153.6-131.5 127.9 15.3 -1.9 78.1 5 32 A K E -a 44 0A 58 -2,-0.4 66,-2.2 64,-0.2 67,-1.4 -0.878 11.1-164.2-114.5 134.1 13.7 1.1 79.7 6 33 A V E -ab 45 72A 1 38,-3.1 40,-3.0 -2,-0.4 2,-0.9 -0.971 12.9-149.7-111.4 119.9 14.8 4.7 80.1 7 34 A G E -ab 46 73A 0 65,-3.1 67,-2.8 -2,-0.5 2,-0.8 -0.811 15.3-161.8 -88.9 104.5 13.0 6.8 82.6 8 35 A L E -ab 47 74A 0 38,-2.4 40,-3.1 -2,-0.9 2,-0.6 -0.800 10.5-178.4 -95.9 109.0 13.2 10.3 81.2 9 36 A I E +ab 48 75A 0 65,-2.8 67,-2.7 -2,-0.8 68,-0.2 -0.922 22.7 140.8-113.2 106.6 12.5 12.9 84.0 10 37 A V E -a 49 0A 0 38,-1.9 40,-1.4 -2,-0.6 2,-0.9 -0.925 59.4 -90.7-142.5 160.3 12.6 16.5 82.5 11 38 A P + 0 0 0 0, 0.0 9,-1.3 0, 0.0 10,-0.5 -0.687 45.2 162.2 -79.6 108.6 10.8 19.8 82.9 12 39 A X S S+ 0 0 57 -2,-0.9 2,-0.3 8,-0.2 5,-0.1 0.620 70.1 28.5 -93.1 -19.3 8.0 19.7 80.2 13 40 A T S S+ 0 0 75 -3,-0.2 3,-0.4 3,-0.0 7,-0.1 -0.801 97.4 41.0-132.7 172.8 6.1 22.5 81.9 14 41 A G S > S- 0 0 55 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.270 109.1 -33.8 80.0-168.2 6.9 25.5 84.1 15 42 A G T 3 S+ 0 0 65 1,-0.3 3,-0.4 36,-0.2 -1,-0.2 0.792 139.2 45.3 -61.6 -33.9 9.9 27.9 83.8 16 43 A Q T >> S+ 0 0 7 -3,-0.4 3,-1.4 1,-0.2 4,-1.1 0.082 73.4 122.2 -99.2 26.9 12.3 25.4 82.5 17 44 A A H <> + 0 0 29 -3,-1.8 4,-2.7 1,-0.3 5,-0.2 0.822 67.3 63.2 -55.8 -34.2 9.9 23.8 79.9 18 45 A S H 3> S+ 0 0 18 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.787 98.6 56.4 -65.8 -26.1 12.3 24.6 77.0 19 46 A T H <> S+ 0 0 0 -3,-1.4 4,-2.3 182,-0.2 -1,-0.2 0.960 111.9 39.7 -66.7 -52.5 14.9 22.2 78.6 20 47 A G H X S+ 0 0 0 -9,-1.3 4,-3.2 -4,-1.1 5,-0.3 0.895 113.2 55.7 -65.7 -40.9 12.6 19.2 78.6 21 48 A K H X S+ 0 0 55 -4,-2.7 4,-2.5 -10,-0.5 -1,-0.2 0.943 111.7 44.3 -53.4 -49.4 11.1 20.1 75.2 22 49 A Q H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.903 115.1 46.4 -65.2 -44.0 14.6 20.1 73.7 23 50 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.944 113.5 48.4 -66.2 -48.8 15.7 16.9 75.5 24 51 A D H X S+ 0 0 16 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.924 114.7 47.3 -53.5 -48.2 12.5 15.0 74.5 25 52 A N H X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.923 110.2 50.7 -59.0 -48.8 12.9 16.2 70.9 26 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.876 111.4 48.1 -63.1 -37.5 16.5 15.3 70.6 27 54 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.914 111.3 50.3 -69.5 -42.5 15.9 11.8 71.9 28 55 A K H X S+ 0 0 115 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.903 112.5 48.5 -56.9 -42.5 13.0 11.3 69.5 29 56 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.919 109.4 51.7 -64.9 -45.5 15.3 12.5 66.7 30 57 A Y H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.929 112.6 44.7 -56.6 -48.0 18.0 10.1 67.8 31 58 A I H X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.890 110.5 54.5 -67.1 -38.4 15.7 7.1 67.8 32 59 A K H < S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.884 117.3 38.2 -58.6 -36.7 14.2 8.2 64.4 33 60 A K H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.778 131.4 25.2 -87.5 -26.0 17.7 8.2 63.0 34 61 A H H < S- 0 0 96 -4,-2.3 3,-0.3 1,-0.2 -3,-0.2 0.516 103.1-120.9-117.0 -10.8 19.1 5.2 64.8 35 62 A G < - 0 0 33 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.184 24.3 -92.1 85.6 174.2 16.1 3.0 65.5 36 63 A D S S+ 0 0 49 -4,-0.1 7,-3.5 -2,-0.1 2,-0.4 0.134 93.0 89.5-112.0 17.5 14.9 1.7 68.9 37 64 A T E +C 42 0A 77 -3,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.971 42.9 167.0-125.9 130.7 16.8 -1.6 69.0 38 65 A V E > -C 41 0A 23 3,-2.3 3,-2.2 -2,-0.4 -3,-0.0 -0.989 69.1 -14.7-144.9 128.8 20.3 -2.3 70.4 39 66 A A T 3 S- 0 0 56 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.818 130.0 -48.4 47.8 40.2 22.0 -5.7 71.2 40 67 A G T 3 S+ 0 0 58 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.460 115.3 117.1 84.6 3.5 18.7 -7.5 71.0 41 68 A K E < - C 0 38A 40 -3,-2.2 -3,-2.3 -38,-0.0 2,-0.7 -0.896 60.1-138.9-111.0 130.4 16.8 -5.0 73.3 42 69 A K E -aC 3 37A 108 -40,-3.0 -38,-2.4 -2,-0.4 2,-0.4 -0.779 25.7-138.2 -82.8 116.1 13.9 -2.8 72.4 43 70 A I E -a 4 0A 8 -7,-3.5 2,-0.4 -2,-0.7 -38,-0.2 -0.634 18.8-169.1 -79.2 124.5 14.5 0.6 74.0 44 71 A E E -a 5 0A 88 -40,-2.6 -38,-3.1 -2,-0.4 2,-0.6 -0.964 7.6-156.0-111.7 131.7 11.5 2.2 75.6 45 72 A V E -a 6 0A 43 -2,-0.4 2,-0.7 -40,-0.2 -38,-0.2 -0.953 5.3-162.5-108.3 119.7 11.6 5.9 76.7 46 73 A I E -a 7 0A 24 -40,-3.0 -38,-2.4 -2,-0.6 2,-0.4 -0.907 11.7-149.9-105.4 109.2 9.1 6.7 79.5 47 74 A L E +a 8 0A 65 -2,-0.7 2,-0.4 -40,-0.2 -38,-0.2 -0.672 18.1 176.9 -84.8 127.6 8.6 10.5 79.7 48 75 A K E -a 9 0A 60 -40,-3.1 -38,-1.9 -2,-0.4 2,-0.7 -0.999 22.2-140.5-130.2 132.4 7.7 12.1 83.1 49 76 A D E +a 10 0A 55 -2,-0.4 -40,-0.1 -40,-0.2 -2,-0.0 -0.803 22.5 172.8 -93.0 115.4 7.4 15.8 83.6 50 77 A D > - 0 0 0 -40,-1.4 3,-2.1 -2,-0.7 6,-0.3 0.523 37.7-136.4 -94.7 -6.7 8.8 17.0 86.9 51 78 A A T 3 - 0 0 24 -41,-0.6 -36,-0.2 1,-0.3 -35,-0.2 0.751 61.4 -74.2 53.9 26.4 8.3 20.7 86.1 52 79 A A T 3 S+ 0 0 15 1,-0.2 -1,-0.3 -36,-0.1 29,-0.1 0.746 99.7 136.1 58.8 24.8 11.8 21.2 87.5 53 80 A I X> - 0 0 83 -3,-2.1 4,-1.9 1,-0.1 3,-1.0 -0.920 50.2-149.2 -99.7 115.1 10.4 20.7 91.1 54 81 A P H 3> S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.770 94.6 61.0 -62.4 -26.3 12.9 18.4 92.9 55 82 A D H 3> S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 109.2 44.6 -59.0 -40.8 10.1 16.9 95.1 56 83 A N H <> S+ 0 0 44 -3,-1.0 4,-3.1 -6,-0.3 5,-0.2 0.880 108.9 56.6 -69.7 -39.6 8.5 15.7 91.9 57 84 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -7,-0.2 -2,-0.2 0.939 110.0 45.1 -56.4 -49.3 11.9 14.5 90.5 58 85 A K H X S+ 0 0 109 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.918 114.9 46.7 -60.3 -49.1 12.3 12.3 93.6 59 86 A R H X S+ 0 0 133 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.912 115.2 47.0 -62.6 -43.4 8.8 10.9 93.5 60 87 A L H X S+ 0 0 9 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.886 109.7 52.2 -66.7 -40.3 9.0 10.3 89.7 61 88 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.906 110.6 49.4 -62.6 -40.0 12.4 8.6 89.9 62 89 A Q H X>S+ 0 0 90 -4,-2.1 4,-2.9 2,-0.2 5,-0.5 0.930 111.3 48.4 -63.3 -46.0 11.0 6.2 92.6 63 90 A E H X>S+ 0 0 60 -4,-2.2 4,-1.8 1,-0.2 5,-1.6 0.917 113.8 47.2 -59.4 -45.0 7.9 5.4 90.5 64 91 A L H <5S+ 0 0 0 -4,-2.5 6,-2.4 3,-0.2 -2,-0.2 0.894 118.4 39.9 -65.0 -43.4 10.1 4.7 87.4 65 92 A I H <5S+ 0 0 22 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.942 127.0 30.7 -71.3 -50.1 12.6 2.5 89.3 66 93 A V H <5S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.907 132.1 27.3 -82.3 -44.6 10.2 0.6 91.6 67 94 A N T <> S- 0 0 6 23,-0.1 4,-1.7 1,-0.1 3,-0.8 -0.936 86.4-105.9-136.4 160.2 18.1 21.7 86.9 79 106 A T H 3> S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.914 116.7 55.5 -55.2 -50.0 20.8 20.8 89.6 80 107 A P H 3> S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.835 106.6 53.4 -53.3 -32.3 18.3 20.2 92.4 81 108 A A H <> S+ 0 0 0 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.932 108.6 47.3 -68.2 -46.0 16.6 17.6 90.2 82 109 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.910 115.9 46.4 -57.3 -43.9 19.8 15.7 89.6 83 110 A L H < S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.834 107.0 57.2 -70.7 -35.5 20.6 15.8 93.3 84 111 A A H < S+ 0 0 23 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.876 112.3 41.2 -62.7 -37.1 17.1 14.8 94.3 85 112 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 3,-0.4 0.647 92.0 87.9 -86.5 -17.2 17.3 11.5 92.3 86 113 A A H X S+ 0 0 2 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.848 84.3 53.1 -54.2 -44.0 20.9 10.6 93.2 87 114 A P H > S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.905 111.2 46.5 -61.8 -38.9 20.1 8.7 96.4 88 115 A L H > S+ 0 0 25 -3,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.875 110.6 52.6 -69.2 -38.1 17.6 6.4 94.5 89 116 A A H X>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.8 0.912 113.8 44.4 -60.4 -44.0 20.1 5.9 91.6 90 117 A T H ><5S+ 0 0 53 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.949 115.3 46.4 -65.7 -50.5 22.7 4.8 94.2 91 118 A Q H 3<5S+ 0 0 161 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 121.5 36.9 -62.0 -42.3 20.4 2.6 96.2 92 119 A A H 3<5S- 0 0 43 -4,-2.7 -1,-0.2 -5,-0.2 210,-0.2 0.489 104.2-127.0 -88.3 -3.9 18.9 0.9 93.1 93 120 A K T <<5 + 0 0 116 -4,-0.8 209,-0.7 -3,-0.6 -3,-0.2 0.932 58.3 148.8 52.4 49.9 22.2 0.8 91.2 94 121 A V < - 0 0 12 -5,-2.1 -1,-0.2 -6,-0.2 -22,-0.2 -0.962 52.1-114.5-114.3 122.1 20.5 2.5 88.3 95 122 A P - 0 0 0 0, 0.0 -22,-2.7 0, 0.0 2,-0.6 -0.323 23.1-151.2 -57.4 138.1 22.6 4.8 86.0 96 123 A E E -de 73 113A 0 16,-2.5 18,-2.3 -24,-0.2 2,-0.9 -0.955 7.1-158.0-114.5 108.9 21.5 8.4 86.2 97 124 A I E -de 74 114A 0 -24,-2.9 -22,-2.2 -2,-0.6 2,-0.8 -0.784 4.0-154.9 -97.1 105.6 22.3 10.2 82.9 98 125 A V E +de 75 115A 0 16,-2.8 18,-2.6 -2,-0.9 19,-0.8 -0.719 22.2 167.6 -86.3 111.5 22.4 14.0 83.5 99 126 A X S S+ 0 0 0 -24,-2.6 -23,-0.2 -2,-0.8 -1,-0.2 0.437 74.0 12.5-103.7 -3.5 21.6 15.6 80.2 100 127 A A S S+ 0 0 0 -25,-0.8 -23,-0.2 -24,-0.5 18,-0.2 0.574 90.0 98.1-136.8 -62.2 21.1 19.2 81.4 101 128 A A - 0 0 4 -25,-2.0 17,-0.5 -26,-0.3 16,-0.2 -0.036 45.1-168.1 -55.0 140.4 22.2 20.2 85.0 102 129 A G + 0 0 3 15,-0.1 18,-2.4 17,-0.1 19,-0.4 0.201 36.0 126.6-121.8 14.9 25.6 21.8 85.2 103 130 A T > - 0 0 4 16,-0.2 3,-1.2 1,-0.1 4,-0.3 -0.609 57.5-133.0 -79.8 133.6 26.9 22.1 88.8 104 131 A S G > S+ 0 0 5 -2,-0.3 3,-0.8 1,-0.2 4,-0.2 0.866 99.2 55.0 -53.9 -45.4 30.4 20.5 89.2 105 132 A I G >> S+ 0 0 52 1,-0.2 3,-1.7 2,-0.1 4,-0.5 0.630 80.5 93.2 -70.5 -12.7 29.7 18.4 92.3 106 133 A I G X4 S+ 0 0 0 -3,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.869 82.5 52.2 -49.0 -46.6 26.7 16.5 90.8 107 134 A T G X4 S+ 0 0 0 -3,-0.8 3,-0.6 -4,-0.3 6,-0.3 0.729 104.9 58.1 -65.9 -20.2 28.9 13.6 89.5 108 135 A E G <4 S+ 0 0 120 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.557 90.8 73.0 -82.2 -7.4 30.3 13.2 93.1 109 136 A R G << S+ 0 0 138 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.457 110.2 14.1 -93.0 -1.1 26.8 12.7 94.6 110 137 A S X - 0 0 3 -3,-0.6 3,-1.3 -4,-0.2 -1,-0.2 -0.854 60.9-139.6-165.0 135.3 26.3 9.2 93.2 111 138 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 0.550 106.4 60.8 -72.9 -2.5 28.8 6.6 91.6 112 139 A Y T 3 S+ 0 0 24 -26,-0.2 -16,-2.5 -18,-0.1 2,-0.4 0.368 80.8 106.5-102.8 2.1 26.0 5.9 89.1 113 140 A I E < +e 96 0A 0 -3,-1.3 2,-0.3 -6,-0.3 -16,-0.2 -0.674 40.9 174.9 -81.5 133.1 25.8 9.4 87.7 114 141 A V E -e 97 0A 0 -18,-2.3 -16,-2.8 -2,-0.4 2,-0.4 -0.989 16.1-149.9-131.9 141.9 27.2 10.1 84.2 115 142 A R E +e 98 0A 0 213,-1.7 -16,-0.2 -2,-0.3 -18,-0.1 -0.939 25.5 172.7-122.0 135.4 26.8 13.5 82.6 116 143 A T S S+ 0 0 0 -18,-2.6 -17,-0.2 -2,-0.4 168,-0.2 0.200 71.4 65.8-119.1 10.2 26.5 14.5 78.9 117 144 A S S S- 0 0 0 -19,-0.8 2,-0.3 -16,-0.2 -15,-0.1 0.792 91.5-100.3 -92.6 -89.3 25.8 18.2 79.3 118 145 A F - 0 0 5 -17,-0.5 2,-0.4 -18,-0.2 -1,-0.2 -0.961 18.0-106.9-178.1 170.6 28.5 20.4 80.8 119 146 A T >> - 0 0 0 -2,-0.3 4,-0.9 1,-0.1 3,-0.5 -0.963 24.0-129.7-117.5 151.9 29.7 22.1 84.0 120 147 A L H 3> S+ 0 0 2 -18,-2.4 4,-2.6 -2,-0.4 3,-0.4 0.864 108.4 62.5 -61.8 -35.7 29.4 25.8 84.4 121 148 A A H 3> S+ 0 0 0 -19,-0.4 4,-2.1 1,-0.2 5,-0.3 0.848 93.8 62.4 -58.4 -37.0 33.1 25.9 85.5 122 149 A Q H <> S+ 0 0 0 -3,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.909 116.4 28.8 -56.7 -45.3 34.2 24.5 82.0 123 150 A S H X S+ 0 0 1 -4,-0.9 4,-2.3 -3,-0.4 5,-0.2 0.824 116.0 60.4 -82.7 -35.2 32.8 27.7 80.2 124 151 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.859 101.7 51.6 -69.5 -34.6 33.3 30.2 83.1 125 152 A I H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.880 111.6 49.5 -65.8 -35.2 37.1 29.7 83.4 126 153 A I H X S+ 0 0 9 -4,-0.5 4,-2.4 -5,-0.3 -2,-0.2 0.923 112.0 44.4 -73.0 -47.2 37.4 30.3 79.6 127 154 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.849 112.4 54.9 -67.2 -30.7 35.3 33.5 79.5 128 155 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.940 110.9 44.1 -64.2 -47.1 37.1 34.8 82.6 129 156 A D H X S+ 0 0 44 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.916 115.0 49.7 -61.7 -45.0 40.5 34.3 81.0 130 157 A W H X S+ 0 0 38 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.923 108.7 50.9 -61.8 -47.5 39.3 35.9 77.7 131 158 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-0.5 0.914 112.4 47.0 -58.4 -47.0 37.7 39.0 79.4 132 159 A A H ><5S+ 0 0 13 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.891 113.2 48.1 -60.1 -42.6 41.0 39.7 81.3 133 160 A K H 3<5S+ 0 0 166 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.610 107.5 59.3 -76.5 -11.9 43.1 39.3 78.2 134 161 A N T <<5S- 0 0 78 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 -0.015 118.1 -99.0-112.3 30.1 40.9 41.5 76.1 135 162 A G T < 5S+ 0 0 53 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.561 72.3 143.4 73.6 9.7 41.0 44.7 78.1 136 163 A I < + 0 0 4 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.766 18.5 169.4 -79.0 115.0 37.8 44.4 80.1 137 164 A K + 0 0 116 -2,-0.7 29,-2.8 1,-0.3 2,-0.5 0.844 56.4 39.3 -98.1 -41.2 38.8 45.9 83.5 138 165 A K E +f 166 0B 94 27,-0.2 55,-1.6 29,-0.1 56,-1.5 -0.963 65.6 179.8-124.1 120.7 35.6 46.3 85.5 139 166 A V E -fg 167 194B 0 27,-2.8 29,-2.4 -2,-0.5 30,-0.8 -0.964 16.7-158.0-124.7 136.6 32.8 43.7 85.5 140 167 A A E -fg 169 195B 0 54,-1.9 56,-2.5 -2,-0.4 2,-0.4 -0.904 22.5-142.2-100.8 141.3 29.4 43.5 87.2 141 168 A T E -fg 170 196B 0 28,-2.7 30,-2.8 -2,-0.4 2,-0.4 -0.825 18.6-175.1-108.6 144.4 27.9 40.0 87.6 142 169 A L E +fg 171 197B 0 54,-2.6 56,-2.5 -2,-0.4 2,-0.4 -0.952 20.6 166.4-132.0 112.7 24.3 38.8 87.3 143 170 A T E -fg 172 198B 0 28,-2.0 30,-1.4 -2,-0.4 56,-0.2 -0.984 43.5-100.2-133.3 141.2 23.8 35.1 88.1 144 171 A S E -f 173 0B 0 54,-1.4 2,-2.1 -2,-0.4 5,-0.2 -0.344 44.6-114.7 -53.5 133.5 20.8 32.9 88.9 145 172 A D S S+ 0 0 91 28,-3.4 2,-0.3 4,-0.1 30,-0.2 -0.317 83.5 71.6 -81.0 56.9 20.7 32.5 92.7 146 173 A Y S >> S- 0 0 37 -2,-2.1 4,-1.8 28,-0.1 3,-1.2 -0.926 99.0 -61.5-156.1-179.9 21.3 28.7 92.9 147 174 A A H 3> S+ 0 0 35 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.755 125.1 44.2 -39.2 -56.5 24.1 26.2 92.5 148 175 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.849 114.0 53.2 -65.6 -29.5 25.2 26.5 88.8 149 176 A G H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.888 108.2 49.7 -66.5 -39.7 25.1 30.3 89.1 150 177 A N H X S+ 0 0 61 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.869 111.6 48.5 -67.7 -36.6 27.4 30.2 92.1 151 178 A D H X S+ 0 0 31 -4,-2.2 4,-2.6 -5,-0.2 5,-0.4 0.939 111.1 50.7 -62.7 -49.2 29.8 27.9 90.2 152 179 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.948 114.3 44.3 -54.8 -49.1 29.6 30.3 87.2 153 180 A L H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.921 114.1 48.5 -60.2 -49.6 30.4 33.3 89.5 154 181 A A H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 116.3 41.2 -61.9 -46.5 33.2 31.5 91.4 155 182 A F H X S+ 0 0 36 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.869 115.9 48.8 -75.4 -37.7 35.1 30.2 88.4 156 183 A F H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.4 5,-0.3 0.959 113.3 48.0 -60.0 -51.8 34.7 33.4 86.3 157 184 A K H X S+ 0 0 71 -4,-2.7 4,-2.7 -5,-0.3 5,-0.4 0.907 108.1 55.3 -58.3 -45.6 35.9 35.5 89.3 158 185 A E H X S+ 0 0 107 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.941 117.8 32.8 -53.7 -52.4 38.9 33.3 90.0 159 186 A R H X S+ 0 0 79 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.886 118.6 52.3 -77.0 -38.7 40.3 33.6 86.4 160 187 A F H <>S+ 0 0 0 -4,-3.2 5,-2.6 -5,-0.2 3,-0.3 0.954 114.3 42.0 -63.3 -48.5 39.1 37.1 85.7 161 188 A T H ><5S+ 0 0 66 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.2 0.891 109.5 58.7 -67.6 -37.4 40.7 38.5 88.8 162 189 A A H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.840 105.2 52.5 -56.2 -32.6 43.9 36.4 88.3 163 190 A G T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.334 132.6 -93.2 -86.3 6.6 44.2 38.2 84.9 164 191 A G T < 5S+ 0 0 51 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.465 80.0 139.7 97.1 3.7 43.9 41.6 86.6 165 192 A G < - 0 0 9 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.362 41.6-140.2 -76.8 160.7 40.1 42.1 86.3 166 193 A E E -f 138 0B 101 -29,-2.8 -27,-2.8 -2,-0.1 2,-0.7 -0.988 2.7-147.2-122.9 127.8 37.9 43.7 89.0 167 194 A I E -f 139 0B 31 -2,-0.4 -27,-0.2 -29,-0.2 3,-0.1 -0.859 17.6-178.7 -87.0 117.7 34.4 42.6 90.0 168 195 A V E + 0 0 61 -29,-2.4 2,-0.3 -2,-0.7 -28,-0.2 0.742 64.2 2.5 -91.5 -25.3 32.7 45.8 91.0 169 196 A E E -f 140 0B 66 -30,-0.8 -28,-2.7 2,-0.0 2,-0.5 -0.972 55.7-151.8-162.4 145.4 29.3 44.3 92.0 170 197 A E E -f 141 0B 78 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.978 17.9-178.8-126.0 115.3 27.6 40.8 92.2 171 198 A I E -f 142 0B 26 -30,-2.8 -28,-2.0 -2,-0.5 2,-0.4 -0.913 7.1-162.1-114.4 139.2 23.8 40.6 91.8 172 199 A K E -f 143 0B 86 -2,-0.4 -28,-0.2 -30,-0.2 -2,-0.0 -0.961 2.1-165.6-120.9 142.3 21.7 37.4 92.0 173 200 A V E -f 144 0B 10 -30,-1.4 -28,-3.4 -2,-0.4 4,-0.1 -0.930 31.0 -96.0-122.7 151.1 18.2 36.8 90.8 174 201 A P - 0 0 69 0, 0.0 -28,-0.1 0, 0.0 -1,-0.0 -0.217 21.7-129.0 -62.5 151.7 15.8 33.9 91.6 175 202 A L S S+ 0 0 42 -30,-0.2 2,-0.4 2,-0.1 -29,-0.1 0.928 96.1 67.2 -58.0 -47.5 15.6 30.9 89.3 176 203 A A S S- 0 0 71 1,-0.2 -1,-0.0 -161,-0.0 0, 0.0 -0.665 123.9 -23.6 -86.1 125.6 11.7 31.3 89.3 177 204 A N S S- 0 0 153 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.838 78.9-162.0 42.8 56.4 10.4 34.4 87.5 178 205 A P - 0 0 23 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.331 11.7-143.2 -63.6 145.1 13.5 36.6 87.7 179 206 A D - 0 0 92 1,-0.1 4,-0.4 31,-0.0 28,-0.0 -0.964 16.9-178.2-107.4 113.0 13.0 40.4 87.2 180 207 A F > + 0 0 2 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.623 60.6 92.3 -85.7 -14.4 16.1 41.7 85.4 181 208 A A H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 83.7 48.4 -48.8 -53.5 14.9 45.3 85.4 182 209 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 112.6 47.4 -61.3 -40.9 16.7 46.4 88.7 183 210 A F H > S+ 0 0 4 -4,-0.4 4,-2.2 -3,-0.2 -2,-0.2 0.930 113.8 48.9 -57.8 -45.7 20.1 44.9 87.7 184 211 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.818 108.7 53.0 -69.9 -31.3 19.8 46.5 84.3 185 212 A Q H X S+ 0 0 84 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.933 108.0 50.3 -65.9 -47.4 18.9 49.9 85.9 186 213 A R H X S+ 0 0 103 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.893 108.0 55.1 -54.7 -41.8 22.0 49.7 88.1 187 214 A X H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 102.1 55.6 -58.9 -43.9 24.0 49.0 84.9 188 215 A K H < S+ 0 0 79 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 119.2 33.9 -56.0 -37.9 22.7 52.1 83.2 189 216 A D H < S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.865 123.3 41.8 -86.7 -41.6 24.0 54.1 86.2 190 217 A A H < S- 0 0 58 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.716 81.6-165.4 -83.1 -24.6 27.1 52.2 87.2 191 218 A K < - 0 0 115 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.861 9.1-174.9 36.5 68.1 28.4 51.5 83.6 192 219 A P - 0 0 9 0, 0.0 -53,-0.2 0, 0.0 3,-0.1 -0.290 40.9-103.4 -71.9 174.5 31.0 48.8 84.1 193 220 A D S S- 0 0 66 -55,-1.6 29,-2.2 1,-0.2 2,-0.3 0.857 97.4 -7.8 -65.0 -36.2 33.1 47.6 81.1 194 221 A A E -gh 139 222B 0 -56,-1.5 -54,-1.9 27,-0.2 2,-0.5 -0.985 60.2-129.2-154.6 160.3 31.0 44.5 80.9 195 222 A X E -gh 140 223B 0 27,-2.6 29,-2.7 -2,-0.3 2,-0.5 -0.980 17.5-149.5-113.1 131.6 28.3 42.5 82.6 196 223 A F E -gh 141 224B 0 -56,-2.5 -54,-2.6 -2,-0.5 2,-0.5 -0.908 24.1-169.8 -97.2 125.2 28.9 38.7 83.1 197 224 A V E +g 142 0B 0 27,-2.2 2,-0.5 -2,-0.5 32,-0.4 -0.970 19.9 178.0-129.1 120.6 25.5 37.0 83.0 198 225 A F E +g 143 0B 4 -56,-2.5 -54,-1.4 -2,-0.5 29,-0.1 -0.987 16.9 152.2-114.9 122.2 24.5 33.5 83.8 199 226 A V - 0 0 0 -2,-0.5 5,-0.1 -56,-0.2 3,-0.1 -0.960 46.1-104.0-134.8 150.5 20.8 32.6 83.5 200 227 A P > - 0 0 7 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.202 53.1 -67.4 -70.1 164.5 19.6 29.0 82.8 201 228 A A T 3 S+ 0 0 0 1,-0.2 -182,-0.2 2,-0.1 -183,-0.1 -0.181 122.6 33.5 -42.7 136.7 18.4 27.8 79.4 202 229 A G T 3 S+ 0 0 19 26,-0.3 4,-0.2 -184,-0.1 -1,-0.2 0.175 105.1 73.3 99.9 -15.2 15.0 29.4 78.5 203 230 A Q <> + 0 0 11 -3,-1.8 4,-2.2 25,-0.1 -2,-0.1 0.604 66.2 85.0-108.5 -15.7 15.7 32.8 80.2 204 231 A G H > S+ 0 0 0 -4,-0.4 4,-2.7 24,-0.3 5,-0.1 0.792 89.1 55.4 -60.4 -32.2 18.2 34.6 77.9 205 232 A G H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.9 46.8 -64.8 -47.1 15.4 35.9 75.6 206 233 A N H > S+ 0 0 104 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 112.7 50.8 -61.5 -42.9 13.7 37.5 78.6 207 234 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.957 111.2 47.0 -59.0 -51.1 17.0 39.0 79.8 208 235 A X H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.823 107.9 56.6 -62.5 -33.9 17.8 40.4 76.3 209 236 A K H X S+ 0 0 136 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.916 111.6 41.8 -63.4 -44.0 14.3 41.9 76.0 210 237 A Q H X S+ 0 0 39 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.870 112.8 55.7 -72.3 -35.5 14.7 43.9 79.2 211 238 A F H <>S+ 0 0 7 -4,-2.5 5,-2.0 -5,-0.2 3,-0.4 0.952 113.0 41.0 -54.4 -52.9 18.3 44.7 78.2 212 239 A A H ><5S+ 0 0 39 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.898 109.5 58.9 -66.2 -41.9 17.0 46.2 74.9 213 240 A E H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.1 48.0 -58.4 -29.0 14.0 47.9 76.6 214 241 A R T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.301 114.1-118.3 -96.3 11.2 16.5 49.8 78.8 215 242 A G T X 5 + 0 0 21 -3,-2.0 3,-2.4 1,-0.1 4,-0.3 0.654 66.1 143.9 66.4 19.4 18.6 50.9 75.9 216 243 A L G > X + 0 0 2 -5,-2.0 3,-1.0 1,-0.3 5,-0.6 0.702 58.9 78.3 -66.1 -17.1 21.7 49.0 77.2 217 244 A D G 3 5S+ 0 0 59 -6,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.710 100.0 41.0 -55.3 -24.4 22.4 48.3 73.5 218 245 A K G < 5S+ 0 0 172 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.460 93.1 86.0-103.9 -3.4 23.7 51.9 73.3 219 246 A S T < 5S- 0 0 18 -3,-1.0 -2,-0.1 -4,-0.3 -1,-0.1 0.580 92.4-124.4 -78.1 -12.8 25.6 52.0 76.6 220 247 A G T 5 + 0 0 69 -4,-0.3 2,-0.6 1,-0.3 -3,-0.1 0.577 65.8 138.5 72.4 9.4 28.9 50.5 75.5 221 248 A I < - 0 0 13 -5,-0.6 -1,-0.3 -27,-0.1 -27,-0.2 -0.797 48.4-138.8 -86.1 121.2 28.6 47.9 78.2 222 249 A K E -h 194 0B 105 -29,-2.2 -27,-2.6 -2,-0.6 2,-0.5 -0.490 6.2-138.8 -75.7 148.4 29.6 44.5 76.8 223 250 A V E +h 195 0B 8 -29,-0.2 23,-2.0 21,-0.2 2,-0.3 -0.961 32.3 163.0-107.8 126.0 27.7 41.3 77.6 224 251 A I E +hi 196 246B 1 -29,-2.7 -27,-2.2 -2,-0.5 23,-0.2 -0.910 8.7 115.0-133.2 160.7 29.8 38.2 78.4 225 252 A G E - i 0 247B 0 21,-1.0 23,-1.8 -2,-0.3 -27,-0.1 -0.960 66.8 -49.6 171.5-175.8 29.2 34.9 80.0 226 253 A P E > S- i 0 248B 0 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.382 70.5 -99.8 -66.6 166.3 29.0 31.2 79.7 227 254 A G G > S+ 0 0 0 21,-1.8 3,-0.5 1,-0.2 22,-0.1 0.487 101.0 96.2 -76.4 -1.5 26.7 30.4 76.7 228 255 A D G > S+ 0 0 3 1,-0.2 3,-1.0 2,-0.1 -24,-0.3 0.901 83.7 52.5 -54.9 -43.9 23.5 29.6 78.6 229 256 A V G < S+ 0 0 0 -3,-0.8 2,-0.4 -32,-0.4 -1,-0.2 0.854 107.8 52.9 -60.2 -35.6 22.2 33.2 78.1 230 257 A X G < S+ 0 0 1 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 -0.306 83.4 173.5 -95.6 47.1 22.8 32.9 74.3 231 258 A D X> - 0 0 0 -3,-1.0 3,-2.3 -2,-0.4 4,-1.4 -0.387 33.1-141.5 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