==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 12-MAY-03 1P9W . COMPND 2 MOLECULE: GENERAL SECRETION PATHWAY PROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR M.A.ROBIEN,B.E.KRUMM,M.SANDKVIST,W.G.J.HOL . 384 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 14.1 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 . 2 0.5 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 . 2 0.5 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 1 1 1 1 1 3 1 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 1 0 2 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 . 1 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 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 98 A S 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.4 52.4 -5.3 -160.0 2 99 A D - 0 0 87 1,-0.1 2,-0.5 2,-0.0 22,-0.1 0.968 360.0-159.2 86.5 89.8 51.1 -2.5 -157.7 3 100 A D > - 0 0 70 1,-0.1 4,-2.4 21,-0.0 5,-0.2 -0.827 11.4-146.9-102.3 125.7 52.7 -1.9 -154.3 4 101 A F H > S+ 0 0 0 17,-0.5 4,-1.4 -2,-0.5 -1,-0.1 0.876 96.3 49.2 -55.2 -46.0 50.7 -0.1 -151.6 5 102 A F H > S+ 0 0 76 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.872 111.4 48.7 -71.5 -38.9 53.7 1.7 -150.0 6 103 A S H >4 S+ 0 0 69 2,-0.2 3,-1.2 1,-0.2 -1,-0.2 0.949 112.4 48.2 -56.8 -52.9 55.0 3.0 -153.3 7 104 A L H >< S+ 0 0 29 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.754 105.8 60.7 -63.5 -22.5 51.6 4.3 -154.3 8 105 A A H 3< S+ 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.784 88.8 71.4 -73.2 -27.8 51.3 5.9 -150.9 9 106 A E T << S+ 0 0 158 -3,-1.2 2,-0.4 -4,-0.9 -1,-0.2 0.470 90.3 71.3 -69.6 -4.4 54.4 8.0 -151.6 10 107 A E < 0 0 129 -3,-0.9 -1,-0.0 -4,-0.2 0, 0.0 -0.967 360.0 360.0-116.4 131.4 52.3 10.1 -154.0 11 108 A L 0 0 209 -2,-0.4 -3,-0.1 48,-0.0 -2,-0.0 -0.875 360.0 360.0-105.3 360.0 49.6 12.5 -152.9 12 ! 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 13 121 A A > 0 0 92 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 159.0 41.3 6.8 -160.3 14 122 A P H > + 0 0 102 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.607 360.0 66.7 -76.8 -15.1 44.5 6.5 -158.1 15 123 A I H > S+ 0 0 22 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.627 100.6 48.7 -78.3 -15.4 42.0 6.0 -155.2 16 124 A I H > S+ 0 0 54 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.841 110.9 48.5 -87.0 -40.4 41.0 2.7 -156.8 17 125 A K H X S+ 0 0 90 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.837 112.1 51.5 -65.6 -33.1 44.6 1.6 -157.3 18 126 A L H X S+ 0 0 19 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.982 109.7 46.8 -66.4 -57.9 45.3 2.6 -153.6 19 127 A I H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.891 115.5 46.0 -50.7 -46.0 42.4 0.6 -152.2 20 128 A N H X S+ 0 0 75 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.898 113.9 48.5 -65.3 -39.8 43.3 -2.5 -154.2 21 129 A A H X S+ 0 0 6 -4,-1.6 4,-2.3 2,-0.2 -17,-0.5 0.844 111.0 50.7 -69.4 -33.9 47.0 -2.2 -153.4 22 130 A X H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 112.6 45.8 -70.7 -46.5 46.2 -1.8 -149.7 23 131 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.924 113.2 51.7 -57.1 -45.4 44.0 -4.9 -149.8 24 132 A G H X S+ 0 0 26 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.842 111.9 45.1 -60.5 -39.0 46.8 -6.7 -151.8 25 133 A E H X S+ 0 0 20 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.822 109.8 55.8 -73.7 -36.4 49.4 -5.7 -149.2 26 134 A A H X>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.7 0.920 110.4 44.8 -62.0 -45.5 47.0 -6.7 -146.3 27 135 A I H ><5S+ 0 0 56 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.888 110.1 54.9 -65.5 -40.7 46.7 -10.2 -147.8 28 136 A K H 3<5S+ 0 0 167 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.844 111.2 46.0 -61.0 -33.7 50.5 -10.4 -148.4 29 137 A E H 3<5S- 0 0 52 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.573 113.4-118.7 -86.2 -9.8 51.0 -9.6 -144.7 30 138 A G T <<5 + 0 0 49 -4,-0.7 20,-0.5 -3,-0.7 -3,-0.2 0.834 51.3 174.6 77.5 34.2 48.4 -12.2 -143.6 31 139 A A < - 0 0 7 -5,-2.7 18,-0.2 18,-0.2 -1,-0.2 -0.474 31.6-157.9 -81.8 141.4 46.3 -9.5 -142.0 32 140 A S S S+ 0 0 36 16,-2.3 2,-0.3 1,-0.2 17,-0.1 0.928 74.3 16.0 -80.7 -47.6 42.9 -10.2 -140.5 33 141 A D E -A 48 0A 20 15,-0.8 15,-2.9 -7,-0.0 2,-0.4 -0.932 55.3-152.5-133.8 152.9 41.5 -6.6 -140.6 34 142 A I E -AB 47 115A 0 81,-2.1 81,-1.8 -2,-0.3 2,-0.5 -0.973 15.5-160.7-117.9 136.3 42.1 -3.2 -142.2 35 143 A H E -AB 46 114A 18 11,-3.0 11,-2.7 -2,-0.4 2,-0.6 -0.971 11.0-174.9-122.0 123.5 41.0 0.1 -140.5 36 144 A I E +AB 45 113A 3 77,-2.6 77,-2.0 -2,-0.5 2,-0.3 -0.951 22.2 171.0-110.6 111.3 40.5 3.5 -142.1 37 145 A E E -A 44 0A 7 7,-2.7 7,-2.1 -2,-0.6 2,-0.5 -0.910 26.9-136.7-124.9 148.5 39.7 6.1 -139.5 38 146 A T E -A 43 0A 15 -2,-0.3 2,-0.3 72,-0.3 71,-0.2 -0.884 17.6-177.2-104.3 125.3 39.4 9.9 -139.5 39 147 A F E > -A 42 0A 92 3,-2.3 3,-1.5 -2,-0.5 22,-0.0 -0.897 40.6-106.2-113.1 154.1 40.9 12.1 -136.7 40 148 A E T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.857 115.6 25.9 -46.3 -52.1 40.3 15.9 -136.7 41 149 A K T 3 S+ 0 0 175 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.325 131.7 8.2 -98.9 5.7 43.9 16.9 -137.8 42 150 A T E < -A 39 0A 57 -3,-1.5 -3,-2.3 18,-0.1 2,-0.2 -0.977 66.3-115.6-174.6 162.6 44.9 13.7 -139.7 43 151 A L E -A 38 0A 1 16,-1.2 2,-0.4 -2,-0.3 -5,-0.2 -0.681 25.9-153.0-111.7 168.2 43.7 10.4 -141.2 44 152 A S E -A 37 0A 2 -7,-2.1 -7,-2.7 -2,-0.2 2,-0.5 -0.982 13.7-166.9-152.5 131.6 44.9 6.9 -140.2 45 153 A I E -AC 36 57A 0 12,-2.7 11,-2.4 -2,-0.4 12,-1.4 -0.978 18.6-177.7-118.1 123.4 45.2 3.4 -141.8 46 154 A R E -AC 35 55A 69 -11,-2.7 -11,-3.0 -2,-0.5 2,-0.4 -0.907 13.0-155.9-123.1 151.6 45.8 0.4 -139.5 47 155 A F E -AC 34 54A 0 7,-1.8 7,-1.2 -2,-0.3 2,-0.7 -0.975 9.2-146.7-120.1 133.1 46.4 -3.3 -140.1 48 156 A R E +AC 33 53A 47 -15,-2.9 -16,-2.3 -2,-0.4 -15,-0.8 -0.889 21.8 177.7 -97.6 116.5 45.7 -6.1 -137.7 49 157 A V E > - C 0 52A 29 3,-2.9 3,-1.4 -2,-0.7 -18,-0.2 -0.966 68.1 -23.8-120.6 122.0 48.2 -8.9 -138.0 50 158 A D T 3 S- 0 0 131 -2,-0.5 2,-0.2 -20,-0.5 -1,-0.1 0.861 128.6 -47.3 47.9 45.6 48.1 -12.0 -135.7 51 159 A G T 3 S+ 0 0 16 1,-0.2 -1,-0.3 270,-0.0 2,-0.3 -0.255 116.2 114.5 98.5 -42.1 46.3 -10.0 -133.0 52 160 A V E < -C 49 0A 102 -3,-1.4 -3,-2.9 -2,-0.2 2,-0.3 -0.437 51.3-156.2 -74.3 123.9 48.7 -7.0 -133.3 53 161 A L E +C 48 0A 55 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.769 20.3 168.2 -98.8 145.0 47.3 -3.7 -134.5 54 162 A R E -C 47 0A 92 -7,-1.2 -7,-1.8 -2,-0.3 2,-0.4 -0.984 37.5-111.8-154.0 154.4 49.7 -1.1 -136.1 55 163 A E E +C 46 0A 119 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.815 32.1 169.9 -93.1 132.7 49.6 2.1 -138.0 56 164 A V E + 0 0 19 -11,-2.4 2,-0.3 -2,-0.4 -10,-0.2 0.560 65.0 12.4-117.6 -21.0 50.9 1.6 -141.6 57 165 A L E -C 45 0A 32 -12,-1.4 -12,-2.7 2,-0.0 -1,-0.4 -0.962 43.0-169.5-160.1 142.8 50.0 5.0 -143.0 58 166 A A + 0 0 49 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.632 27.9 174.9-127.4 73.6 48.8 8.4 -142.1 59 167 A P - 0 0 24 0, 0.0 -16,-1.2 0, 0.0 5,-0.1 -0.192 44.8 -61.8 -72.0 171.7 47.8 10.2 -145.4 60 168 A S > - 0 0 56 -18,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.203 39.8-123.3 -58.8 139.7 46.2 13.6 -145.5 61 169 A R G > S+ 0 0 95 1,-0.3 3,-1.6 -20,-0.2 4,-0.3 0.787 106.7 73.4 -48.1 -31.8 42.8 14.2 -143.9 62 170 A K G 3 S+ 0 0 186 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.791 88.2 60.1 -57.8 -29.8 41.6 15.4 -147.3 63 171 A L G X> S+ 0 0 42 -3,-2.0 4,-2.0 1,-0.2 3,-1.0 0.690 79.4 90.6 -74.7 -16.5 41.5 11.8 -148.7 64 172 A S H <> S+ 0 0 15 -3,-1.6 4,-2.0 -4,-0.3 5,-0.2 0.838 83.9 48.8 -53.7 -48.6 39.0 10.5 -146.1 65 173 A S H 3> S+ 0 0 79 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.3 0.804 113.6 50.3 -61.8 -29.2 35.8 11.1 -148.0 66 174 A L H <> S+ 0 0 91 -3,-1.0 4,-2.7 -4,-0.3 -2,-0.2 0.916 109.6 46.1 -77.4 -44.9 37.3 9.4 -151.1 67 175 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.852 114.5 50.7 -67.9 -33.4 38.5 6.2 -149.4 68 176 A V H X S+ 0 0 14 -4,-2.0 4,-2.3 -5,-0.3 3,-0.3 0.981 112.0 45.0 -66.4 -58.6 35.2 5.9 -147.7 69 177 A S H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.941 111.5 54.9 -46.4 -52.9 33.1 6.3 -150.8 70 178 A R H X S+ 0 0 60 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.871 108.6 46.2 -54.2 -43.1 35.4 3.9 -152.7 71 179 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.3 0.880 111.8 54.3 -69.3 -35.7 35.0 1.1 -150.2 72 180 A K H >X>S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 5,-1.1 0.977 105.8 48.9 -58.9 -57.8 31.2 1.7 -150.3 73 181 A V H 3<5S+ 0 0 60 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.820 111.8 52.2 -57.5 -28.6 30.8 1.4 -154.0 74 182 A X H 3<5S+ 0 0 28 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.855 112.6 42.8 -73.9 -35.4 32.8 -1.8 -153.9 75 183 A A H <<5S- 0 0 5 -4,-1.7 14,-0.9 -3,-0.8 -2,-0.2 0.420 119.0-111.0 -92.4 -0.2 30.6 -3.3 -151.1 76 184 A K T <5 + 0 0 185 -4,-1.1 -3,-0.2 -3,-0.2 2,-0.2 0.956 67.9 139.0 74.6 57.8 27.5 -2.1 -152.9 77 185 A L < - 0 0 38 -5,-1.1 2,-1.1 -8,-0.2 -1,-0.2 -0.637 58.6 -72.4-130.3-179.2 26.3 0.6 -150.4 78 186 A D - 0 0 78 -2,-0.2 3,-0.3 1,-0.2 -6,-0.0 -0.632 30.7-178.6 -85.7 95.9 24.9 4.1 -150.0 79 187 A I S S+ 0 0 93 -2,-1.1 -1,-0.2 1,-0.2 -10,-0.1 0.853 87.6 54.3 -53.8 -37.7 27.4 6.8 -150.9 80 188 A A S S+ 0 0 84 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.873 91.8 84.1 -66.4 -38.6 24.8 9.4 -150.0 81 189 A E + 0 0 46 -3,-0.3 -4,-0.0 1,-0.1 5,-0.0 -0.514 40.8 151.4 -76.0 126.3 24.2 8.0 -146.5 82 190 A K + 0 0 139 -2,-0.3 -1,-0.1 28,-0.0 28,-0.1 0.512 58.4 66.2-128.6 -11.9 26.6 9.2 -143.8 83 191 A R S S+ 0 0 181 23,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.562 94.1 49.0 -97.3 -14.1 24.7 9.1 -140.5 84 192 A V S S- 0 0 69 21,-0.1 20,-0.0 1,-0.1 27,-0.0 -0.892 87.4 -88.6-129.7 156.0 24.0 5.4 -139.9 85 193 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.226 40.3-167.2 -57.1 152.1 26.0 2.0 -139.8 86 194 A Q E -D 104 0A 24 18,-1.4 18,-2.7 -9,-0.0 2,-0.4 -0.993 8.7-162.6-144.3 143.1 26.3 0.1 -143.1 87 195 A D E +D 103 0A 118 -2,-0.3 16,-0.2 16,-0.2 2,-0.2 -0.975 16.9 166.4-133.0 120.1 27.4 -3.5 -143.8 88 196 A G E -D 102 0A 11 14,-3.0 14,-1.4 -2,-0.4 2,-0.3 -0.703 22.7-134.1-122.6 176.1 28.5 -4.8 -147.2 89 197 A R E -D 101 0A 93 -14,-0.9 2,-0.3 -2,-0.2 12,-0.2 -0.918 13.8-171.7-127.4 155.4 30.2 -7.8 -148.8 90 198 A I E -D 100 0A 18 10,-1.6 10,-2.8 -2,-0.3 2,-0.5 -0.977 10.1-159.9-145.0 136.0 32.9 -8.2 -151.4 91 199 A S E +D 99 0A 69 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.975 25.8 173.6-110.5 131.3 34.4 -11.2 -153.3 92 200 A L E -D 98 0A 50 6,-1.4 6,-2.9 -2,-0.5 2,-0.5 -0.958 30.9-133.3-139.2 153.0 37.8 -10.7 -154.8 93 201 A R + 0 0 192 -2,-0.3 -2,-0.0 4,-0.2 0, 0.0 -0.938 24.6 167.1-106.7 125.2 40.6 -12.5 -156.6 94 202 A I 0 0 69 -2,-0.5 -1,-0.1 -71,-0.0 -70,-0.0 0.800 360.0 360.0-101.7 -43.7 44.2 -11.8 -155.4 95 203 A G 0 0 113 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.140 360.0 360.0 87.5 360.0 46.2 -14.6 -157.1 96 ! 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 97 206 A A 0 0 59 0, 0.0 23,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.4 39.9 -15.6 -153.7 98 207 A V E -DE 92 119A 15 -6,-2.9 -6,-1.4 21,-0.1 2,-0.7 -0.976 360.0-143.7-133.8 121.4 39.2 -13.5 -150.6 99 208 A D E -DE 91 118A 9 19,-1.6 19,-3.8 -2,-0.4 2,-0.5 -0.733 24.4-171.6 -79.3 114.4 35.9 -12.8 -148.7 100 209 A V E -D 90 0A 1 -10,-2.8 -10,-1.6 -2,-0.7 2,-0.6 -0.948 9.3-162.4-114.7 120.6 36.0 -9.2 -147.5 101 210 A R E -D 89 0A 111 -2,-0.5 15,-2.6 -12,-0.2 2,-0.5 -0.887 10.8-160.6 -97.1 120.2 33.3 -8.0 -145.1 102 211 A V E -DF 88 115A 0 -14,-1.4 -14,-3.0 -2,-0.6 2,-0.4 -0.910 9.9-178.3-109.6 130.7 33.1 -4.2 -145.0 103 212 A S E -DF 87 114A 45 11,-2.4 11,-2.1 -2,-0.5 2,-0.3 -0.986 3.7-169.1-125.0 130.9 31.5 -2.3 -142.1 104 213 A T E -DF 86 113A 4 -18,-2.7 -18,-1.4 -2,-0.4 9,-0.2 -0.765 2.9-170.6-118.9 168.0 31.1 1.5 -141.8 105 214 A X E - F 0 112A 90 7,-1.3 7,-2.2 -2,-0.3 -21,-0.1 -0.948 29.0-109.8-163.8 126.5 30.0 3.7 -138.9 106 215 A P + 0 0 47 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.332 47.2 171.5 -57.2 141.6 29.1 7.3 -138.1 107 216 A S > - 0 0 62 4,-0.0 3,-1.9 0, 0.0 -2,-0.0 -0.980 48.3 -90.3-159.2 155.1 31.8 8.9 -136.0 108 217 A S T 3 S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -69,-0.1 0.559 122.3 17.7 -53.9 -15.7 32.7 12.4 -134.7 109 218 A H T 3 S- 0 0 74 1,-0.5 -1,-0.3 -71,-0.2 2,-0.2 0.282 133.3 -29.9-136.1 14.3 34.9 13.3 -137.8 110 219 A G S < S- 0 0 26 -3,-1.9 -1,-0.5 -72,-0.1 -72,-0.3 -0.606 81.6 -63.4 144.7 149.0 33.9 10.9 -140.6 111 220 A E - 0 0 16 -2,-0.2 2,-0.3 -5,-0.1 -28,-0.0 -0.385 49.4-136.9 -61.0 134.8 32.6 7.3 -141.0 112 221 A R E - F 0 105A 57 -7,-2.2 -7,-1.3 -75,-0.1 2,-0.4 -0.662 22.5-159.8 -86.5 149.1 35.1 4.8 -139.7 113 222 A V E -BF 36 104A 0 -77,-2.0 -77,-2.6 -2,-0.3 2,-0.4 -0.997 14.0-175.5-136.0 137.5 35.6 1.7 -142.0 114 223 A V E -BF 35 103A 32 -11,-2.1 -11,-2.4 -2,-0.4 2,-0.5 -0.998 12.9-154.9-128.6 142.6 36.9 -1.8 -141.5 115 224 A X E -BF 34 102A 2 -81,-1.8 -81,-2.1 -2,-0.4 -13,-0.2 -0.961 9.1-158.6-109.4 129.6 37.5 -4.5 -144.0 116 225 A R - 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0 0 16 -15,-2.5 7,-0.2 -2,-0.3 3,-0.1 -0.637 30.4-163.3 -76.1 134.7 19.7 -16.2 -157.8 199 308 A N B > > -M 204 0C 44 5,-1.6 5,-2.4 -2,-0.3 3,-1.6 -0.909 17.8-172.3-127.5 100.4 19.9 -13.3 -160.2 200 309 A P G > 5S+ 0 0 110 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.747 81.6 77.0 -58.2 -24.5 17.7 -10.2 -159.5 201 310 A R G 3 5S+ 0 0 210 1,-0.3 -3,-0.0 3,-0.1 -2,-0.0 0.514 109.6 24.2 -68.3 -7.6 18.7 -8.9 -162.9 202 311 A V G < 5S- 0 0 89 -3,-1.6 -1,-0.3 2,-0.1 3,-0.1 0.121 115.2-101.3-140.6 20.8 16.3 -11.3 -164.6 203 312 A D T < 5 + 0 0 102 -3,-1.3 2,-1.4 1,-0.2 5,-0.2 0.789 68.4 155.5 51.9 32.0 13.7 -11.9 -161.8 204 313 A X B < +M 199 0C 48 -5,-2.4 -5,-1.6 4,-0.1 -1,-0.2 -0.721 21.0 167.1 -83.8 90.1 15.5 -15.3 -161.2 205 314 A T > - 0 0 53 -2,-1.4 4,-2.9 -7,-0.2 5,-0.3 -0.519 54.5 -95.3-100.9 169.2 14.4 -15.6 -157.6 206 315 A F H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 126.3 50.2 -45.4 -45.0 14.5 -18.5 -155.1 207 316 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 113.4 42.3 -65.8 -48.1 10.9 -19.2 -156.1 208 317 A R H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 116.8 47.8 -63.3 -47.0 11.5 -19.2 -159.9 209 318 A G H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.886 110.9 50.1 -62.5 -43.7 14.7 -21.2 -159.7 210 319 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.854 108.3 53.5 -66.2 -36.6 13.3 -23.8 -157.3 211 320 A R H X S+ 0 0 101 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.921 111.8 46.4 -59.1 -46.2 10.3 -24.3 -159.6 212 321 A A H >X S+ 0 0 32 -4,-2.1 3,-1.6 1,-0.2 4,-0.6 0.927 103.1 62.2 -62.4 -49.2 12.8 -24.9 -162.5 213 322 A I H >< S+ 0 0 9 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.884 99.2 57.4 -41.0 -45.6 15.0 -27.3 -160.4 214 323 A L H >< S+ 0 0 47 -4,-1.4 3,-1.0 1,-0.3 -1,-0.3 0.792 98.8 57.5 -66.3 -25.8 11.9 -29.6 -160.2 215 324 A R H << S+ 0 0 185 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.545 95.7 69.5 -78.1 -5.2 11.7 -29.8 -164.0 216 325 A Q T << S- 0 0 128 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.207 108.2-117.6 -97.4 14.0 15.3 -31.1 -163.9 217 326 A D < - 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0 0 13 -4,-3.0 -1,-0.2 -26,-0.1 2,-0.1 -0.940 67.6-135.6-125.0 129.3 16.8 -35.8 -127.6 363 476 A P - 0 0 70 0, 0.0 -29,-0.3 0, 0.0 -3,-0.0 -0.449 32.7-108.5 -73.7 148.1 18.9 -33.5 -125.5 364 477 A S > - 0 0 15 -2,-0.1 4,-2.4 -31,-0.1 3,-0.2 -0.210 30.1-102.9 -70.1 165.0 18.7 -29.7 -125.9 365 478 A I H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.852 122.7 57.2 -57.0 -35.5 21.4 -27.5 -127.5 366 479 A R H > S+ 0 0 90 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.932 105.8 47.5 -62.4 -46.5 22.4 -26.4 -124.0 367 480 A D H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 111.3 52.5 -63.4 -40.2 23.0 -30.0 -122.8 368 481 A D H X S+ 0 0 8 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.952 112.3 44.8 -56.5 -50.7 25.0 -30.5 -126.0 369 482 A G H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-0.4 0.923 111.3 53.4 -56.1 -48.9 27.1 -27.4 -125.2 370 483 A L H X S+ 0 0 9 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.818 103.2 57.3 -58.7 -34.2 27.5 -28.5 -121.5 371 484 A D H X S+ 0 0 78 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.897 107.7 47.5 -62.4 -41.4 28.8 -31.9 -122.6 372 485 A K H <>S+ 0 0 14 -4,-1.4 5,-2.7 -3,-0.4 6,-0.9 0.768 108.5 54.3 -72.8 -29.6 31.6 -30.2 -124.5 373 486 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.8 3,-0.2 -61,-0.2 0.960 105.7 53.8 -62.9 -54.0 32.3 -27.9 -121.5 374 487 A R H 3<5S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.856 106.9 51.3 -45.4 -40.4 32.7 -31.1 -119.5 375 488 A Q T 3<5S- 0 0 128 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.551 115.7-120.0 -80.6 -4.9 35.2 -32.4 -122.0 376 489 A G T < 5S+ 0 0 2 -3,-2.8 -3,-0.2 2,-0.2 -2,-0.1 0.747 79.0 124.8 72.1 24.6 37.1 -29.0 -121.6 377 490 A I S - 0 0 0 -94,-0.3 4,-1.2 -2,-0.3 5,-0.1 -0.403 27.5-122.1 -79.4 160.0 34.3 -22.7 -121.5 380 493 A L H > S+ 0 0 10 -68,-0.6 4,-2.1 1,-0.2 5,-0.1 0.835 113.5 57.6 -69.7 -31.6 31.1 -22.6 -119.5 381 494 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 102.1 53.0 -60.6 -46.4 30.8 -18.9 -120.3 382 495 A E H > S+ 0 0 6 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.853 114.5 41.2 -65.7 -35.5 30.8 -19.5 -124.1 383 496 A V H < S+ 0 0 1 -4,-1.2 3,-0.4 1,-0.1 4,-0.3 0.884 117.1 47.3 -76.3 -40.6 28.0 -22.1 -123.9 384 497 A X H >< S+ 0 0 70 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.797 100.8 65.4 -74.8 -27.5 25.9 -20.2 -121.4 385 498 A R H 3< S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.791 102.5 46.8 -71.1 -28.0 26.1 -16.8 -123.1 386 499 A G T 3< 0 0 47 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.513 360.0 360.0 -86.3 -6.4 24.1 -17.9 -126.2 387 500 A S < 0 0 75 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.549 360.0 360.0 -99.3 360.0 21.5 -19.5 -124.0