==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-NOV-07 2VFO . COMPND 2 MOLECULE: P22 TAILSPIKE PROTEIN, MUTANT V125L; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE P22; . AUTHOR M.BECKER,J.J.MUELLER,U.HEINEMANN,R.SECKLER . 555 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 1 0 1 0 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 RESIDUES PER ALPHA HELIX . 4 5 14 4 2 5 2 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 3 0 0 0 3 2 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 . 2 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 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 1 112 A Q > 0 0 186 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -53.4 -10.9 -17.4 -21.9 2 113 A Y H > + 0 0 133 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.897 360.0 59.8 -58.5 -41.0 -11.8 -14.6 -19.6 3 114 A S H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.819 102.4 52.2 -58.4 -34.5 -10.3 -16.6 -16.7 4 115 A I H > S+ 0 0 93 -3,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.932 114.4 42.3 -65.1 -47.6 -7.0 -16.6 -18.5 5 116 A E H X S+ 0 0 91 -4,-1.5 4,-1.3 2,-0.2 3,-0.5 0.897 115.5 49.5 -63.8 -45.3 -7.1 -12.8 -18.9 6 117 A A H X S+ 0 0 13 -4,-3.3 4,-1.6 1,-0.2 3,-0.4 0.896 104.8 56.8 -66.1 -42.8 -8.5 -12.2 -15.3 7 118 A D H < S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 113.7 42.7 -60.1 -25.0 -5.8 -14.4 -13.7 8 119 A K H < S+ 0 0 176 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.705 116.9 42.5 -90.1 -25.7 -3.2 -12.1 -15.3 9 120 A K H < S+ 0 0 108 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.545 96.4 77.3-108.6 -9.3 -4.7 -8.7 -14.7 10 121 A F S < S- 0 0 112 -4,-1.6 2,-0.2 -5,-0.1 0, 0.0 -0.832 78.8-111.9-106.8 145.2 -6.0 -8.7 -11.2 11 122 A K - 0 0 165 -2,-0.3 2,-0.5 1,-0.1 -2,-0.1 -0.500 34.2-123.8 -68.8 132.4 -4.1 -8.3 -7.8 12 123 A Y + 0 0 100 -2,-0.2 20,-2.2 -5,-0.1 2,-0.3 -0.695 47.8 141.6 -84.4 123.8 -4.2 -11.5 -5.7 13 124 A S E -a 32 0A 74 -2,-0.5 2,-0.3 18,-0.2 20,-0.2 -0.923 27.3-161.3-154.6 138.4 -5.6 -11.1 -2.2 14 125 A L E -a 33 0A 21 18,-1.6 20,-3.2 -2,-0.3 2,-0.4 -0.818 15.4-133.2-116.3 162.6 -7.7 -13.4 -0.1 15 126 A K E > -a 34 0A 88 -2,-0.3 3,-1.8 18,-0.2 20,-0.2 -0.916 13.3-131.1-122.1 140.6 -9.7 -12.5 3.0 16 127 A L G > S+ 0 0 0 18,-2.5 3,-2.1 -2,-0.4 19,-0.1 0.784 101.7 72.2 -61.1 -29.2 -9.9 -14.3 6.3 17 128 A S G 3 S+ 0 0 54 1,-0.3 -1,-0.3 17,-0.3 18,-0.1 0.752 93.8 56.6 -55.2 -27.7 -13.8 -14.2 6.3 18 129 A D G < S+ 0 0 103 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.412 102.7 64.9 -86.8 1.6 -13.6 -16.8 3.5 19 130 A Y S < S- 0 0 71 -3,-2.1 3,-0.0 -4,-0.1 4,-0.0 -0.937 71.6-139.7-129.3 145.6 -11.6 -19.3 5.6 20 131 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.763 88.1 20.4 -77.2 -25.0 -12.4 -21.2 8.8 21 132 A T S > S- 0 0 50 1,-0.1 4,-1.7 18,-0.0 5,-0.1 -0.953 76.3-116.5-138.5 160.7 -8.9 -20.8 10.4 22 133 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.878 115.8 56.2 -64.6 -35.9 -6.0 -18.4 9.9 23 134 A Q H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 103.3 54.4 -62.1 -39.8 -3.8 -21.3 8.8 24 135 A D H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.933 111.9 44.2 -60.2 -42.9 -6.2 -22.2 6.0 25 136 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.920 112.7 51.9 -65.4 -44.7 -6.0 -18.6 4.7 26 137 A A H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.916 108.5 50.9 -57.6 -45.4 -2.2 -18.6 5.1 27 138 A S H < S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.9 42.7 -63.4 -35.1 -1.9 -21.8 3.1 28 139 A A H < S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.636 91.5 109.2 -85.4 -17.3 -4.0 -20.4 0.3 29 140 A A < + 0 0 4 -4,-1.5 4,-0.1 -3,-0.3 23,-0.1 -0.286 34.1 170.9 -70.5 150.7 -2.5 -17.0 0.1 30 141 A V S S- 0 0 94 2,-0.4 23,-0.2 22,-0.1 -1,-0.1 0.664 74.5 -21.3-121.4 -48.0 -0.3 -15.8 -2.7 31 142 A D S S+ 0 0 43 1,-0.5 24,-2.4 24,-0.1 2,-0.2 0.467 121.5 35.8-136.1 -72.7 0.3 -12.1 -2.4 32 143 A G E -ab 13 55A 8 -20,-2.2 -18,-1.6 22,-0.2 -1,-0.5 -0.604 52.2-171.9 -96.5 149.5 -2.2 -10.2 -0.3 33 144 A L E -ab 14 56A 2 22,-2.2 24,-2.7 -2,-0.2 2,-0.5 -0.946 10.4-159.4-138.6 119.6 -4.1 -11.4 2.9 34 145 A L E -ab 15 57A 38 -20,-3.2 -18,-2.5 -2,-0.4 2,-1.1 -0.875 10.7-152.7-104.0 123.8 -6.9 -9.2 4.3 35 146 A I E + b 0 58A 0 22,-2.8 24,-2.6 -2,-0.5 -20,-0.1 -0.812 33.3 157.3 -91.6 96.9 -8.0 -9.5 7.9 36 147 A D + 0 0 57 -2,-1.1 2,-0.3 22,-0.1 -1,-0.2 0.513 54.9 43.1-106.3 -6.7 -11.6 -8.4 7.4 37 148 A R S S- 0 0 80 -3,-0.1 23,-0.1 23,-0.1 22,-0.1 -0.975 95.3 -91.7-134.5 149.8 -13.4 -9.9 10.4 38 149 A D - 0 0 79 -2,-0.3 2,-0.5 21,-0.1 24,-0.2 -0.352 42.5-153.4 -59.5 139.0 -12.3 -10.2 14.0 39 150 A Y E -c 62 0A 15 22,-2.8 24,-2.9 -4,-0.1 2,-0.6 -0.977 6.5-148.3-125.0 119.7 -10.5 -13.5 14.6 40 151 A N E -c 63 0A 110 -2,-0.5 2,-0.3 22,-0.2 24,-0.2 -0.786 23.0-171.6 -87.2 119.0 -10.4 -15.2 18.0 41 152 A F - 0 0 12 22,-2.2 2,-0.3 -2,-0.6 24,-0.2 -0.821 19.2-127.4-109.4 151.4 -7.1 -17.1 18.4 42 153 A Y > - 0 0 158 -2,-0.3 3,-2.6 22,-0.1 24,-0.1 -0.738 42.9 -88.8 -93.0 147.4 -6.0 -19.5 21.1 43 154 A G T 3 S+ 0 0 47 -2,-0.3 25,-0.2 1,-0.3 23,-0.1 -0.323 117.0 19.4 -57.6 128.2 -2.8 -18.9 23.0 44 155 A G T 3 S+ 0 0 33 23,-2.6 -1,-0.3 1,-0.3 24,-0.2 0.407 81.4 157.8 87.6 -1.4 0.1 -20.5 21.1 45 156 A E E < -d 68 0A 16 -3,-2.6 24,-2.9 22,-0.5 2,-0.4 -0.404 28.2-155.8 -57.4 124.4 -1.9 -20.7 17.8 46 157 A T E -d 69 0A 63 22,-0.2 2,-0.5 -2,-0.1 24,-0.2 -0.931 11.5-162.0-120.0 129.1 0.8 -21.0 15.2 47 158 A V E -d 70 0A 1 22,-3.0 24,-2.7 -2,-0.4 2,-0.6 -0.939 5.8-154.7-116.8 127.2 0.5 -20.0 11.5 48 159 A D E -d 71 0A 53 -2,-0.5 24,-0.2 22,-0.2 25,-0.1 -0.904 4.4-169.0-104.5 111.5 3.0 -21.3 8.9 49 160 A F > - 0 0 1 22,-2.5 3,-2.0 -2,-0.6 25,-0.2 0.274 35.9-123.2 -91.5 11.8 3.2 -18.9 5.9 50 161 A G T 3 - 0 0 55 1,-0.3 23,-0.1 21,-0.1 22,-0.1 0.667 59.8 -68.7 67.4 19.5 5.2 -21.3 3.7 51 162 A G T 3 S+ 0 0 47 21,-2.7 -1,-0.3 1,-0.2 22,-0.2 0.528 93.0 151.8 74.8 5.7 8.1 -18.9 3.1 52 163 A K < - 0 0 55 -3,-2.0 22,-2.8 20,-0.5 2,-1.1 -0.392 52.5-125.0 -76.0 145.8 5.8 -16.7 1.1 53 164 A V + 0 0 79 -23,-0.2 2,-0.3 20,-0.2 -1,-0.1 -0.778 46.0 179.1 -89.5 97.9 6.3 -12.9 0.8 54 165 A L - 0 0 0 -2,-1.1 24,-2.1 20,-0.2 2,-0.7 -0.784 34.1-147.0-112.8 148.6 2.9 -11.7 1.9 55 166 A T E -be 32 78A 66 -24,-2.4 -22,-2.2 -2,-0.3 2,-0.7 -0.937 22.0-164.4-111.1 102.4 1.3 -8.3 2.4 56 167 A I E -be 33 79A 1 22,-3.2 24,-2.9 -2,-0.7 2,-0.6 -0.828 2.9-167.9 -96.9 113.7 -1.0 -8.8 5.4 57 168 A E E -be 34 80A 99 -24,-2.7 -22,-2.8 -2,-0.7 2,-0.5 -0.921 7.6-154.2-108.1 118.8 -3.5 -5.9 5.6 58 169 A C E +b 35 0A 12 22,-3.0 -22,-0.1 -2,-0.6 -24,-0.1 -0.832 31.4 155.4-104.4 124.3 -5.5 -5.7 8.9 59 170 A K S S+ 0 0 150 -24,-2.6 2,-0.3 -2,-0.5 -1,-0.1 -0.062 70.4 37.7-130.3 27.5 -8.9 -4.1 9.1 60 171 A A S S- 0 0 16 -23,-0.1 23,-0.5 21,-0.1 2,-0.3 -0.921 88.4 -81.2-161.8-177.8 -10.2 -6.1 12.2 61 172 A K - 0 0 68 -2,-0.3 -22,-2.8 21,-0.1 2,-0.6 -0.649 13.6-142.0-100.8 149.8 -8.9 -7.5 15.5 62 173 A F E -cf 39 84A 1 21,-2.7 23,-2.1 -2,-0.3 2,-0.5 -0.962 32.8-161.7 -99.1 120.3 -7.0 -10.5 16.6 63 174 A I E +cf 40 85A 29 -24,-2.9 -22,-2.2 -2,-0.6 2,-0.2 -0.913 32.8 91.9-116.5 123.5 -8.7 -11.4 19.9 64 175 A G - 0 0 2 21,-2.7 2,-0.3 -2,-0.5 -22,-0.1 -0.777 64.2-104.8 166.4 147.3 -7.2 -13.6 22.6 65 176 A D S S+ 0 0 46 -2,-0.2 84,-0.2 21,-0.2 -22,-0.2 -0.737 88.7 20.1 -80.2 142.9 -5.1 -13.8 25.7 66 177 A G E S- g 0 149A 23 82,-3.0 84,-2.5 -2,-0.3 2,-0.4 -0.569 103.4 -25.9 95.8-161.6 -1.6 -15.2 25.0 67 178 A N E - g 0 150A 39 -2,-0.2 -23,-2.6 82,-0.2 2,-0.6 -0.790 31.8-161.0-106.4 132.1 0.5 -15.4 21.8 68 179 A L E -dg 45 151A 0 82,-2.8 84,-3.0 -2,-0.4 2,-0.6 -0.954 29.3-152.2-101.4 115.4 -0.6 -15.6 18.1 69 180 A I E -dg 46 152A 10 -24,-2.9 -22,-3.0 -2,-0.6 2,-0.5 -0.838 13.4-166.6-106.7 118.8 2.6 -16.9 16.5 70 181 A F E +dg 47 153A 2 82,-3.1 84,-2.8 -2,-0.6 2,-0.3 -0.908 16.5 174.1-102.3 129.7 3.5 -16.2 12.9 71 182 A T E +dg 48 154A 17 -24,-2.7 -22,-2.5 -2,-0.5 -20,-0.2 -0.902 49.1 24.1-131.5 158.0 6.2 -18.3 11.3 72 183 A K + 0 0 123 82,-0.6 -21,-2.7 -2,-0.3 -20,-0.5 0.858 67.2 160.9 57.2 41.7 7.9 -18.8 7.9 73 184 A L - 0 0 10 -22,-0.2 84,-0.5 -23,-0.1 -1,-0.2 -0.786 40.4-117.0 -83.8 136.5 7.1 -15.4 6.4 74 185 A G > - 0 0 8 -22,-2.8 3,-1.9 -2,-0.4 -20,-0.2 -0.373 37.7 -83.7 -71.1 152.5 9.3 -14.6 3.5 75 186 A K T 3 S+ 0 0 140 1,-0.3 83,-0.2 -24,-0.1 84,-0.2 -0.354 118.9 34.7 -54.9 130.2 11.8 -11.6 3.5 76 187 A G T 3 S+ 0 0 53 82,-2.8 -1,-0.3 1,-0.3 83,-0.2 0.331 82.7 143.7 99.9 -2.7 9.9 -8.5 2.5 77 188 A S < - 0 0 2 -3,-1.9 83,-1.9 81,-0.3 2,-0.4 -0.376 30.5-163.5 -69.2 148.9 6.6 -9.5 4.2 78 189 A R E -eh 55 160A 90 -24,-2.1 -22,-3.2 81,-0.2 2,-0.4 -0.985 14.7-162.7-139.3 142.0 4.6 -6.7 5.8 79 190 A I E -eh 56 161A 0 81,-2.4 83,-2.9 -2,-0.4 2,-0.4 -0.984 19.7-172.1-127.6 115.9 1.8 -6.7 8.4 80 191 A A E +eh 57 162A 11 -24,-2.9 -22,-3.0 -2,-0.4 83,-0.2 -0.917 56.9 2.7-120.5 135.2 -0.1 -3.4 8.6 81 192 A G S S+ 0 0 28 81,-2.5 -1,-0.1 -2,-0.4 82,-0.1 0.541 74.4 171.5 81.2 9.4 -2.8 -2.1 10.9 82 193 A V - 0 0 0 80,-0.4 83,-2.7 -26,-0.1 2,-0.4 -0.171 14.7-164.0 -57.1 141.6 -2.8 -5.2 13.2 83 194 A F E - i 0 165A 53 -23,-0.5 -21,-2.7 81,-0.2 2,-0.4 -0.963 1.4-165.0-132.3 113.3 -4.9 -4.7 16.4 84 195 A M E +fi 62 166A 0 81,-1.8 83,-2.3 -2,-0.4 2,-0.3 -0.821 10.4 177.2 -98.1 138.3 -4.4 -7.2 19.3 85 196 A E E -fi 63 167A 25 -23,-2.1 -21,-2.7 -2,-0.4 83,-0.2 -0.987 22.9-129.9-142.8 134.2 -6.9 -7.4 22.1 86 197 A S - 0 0 0 81,-1.2 -21,-0.2 -2,-0.3 63,-0.1 -0.270 8.6-140.9 -69.8 159.1 -7.1 -9.6 25.2 87 198 A T S S+ 0 0 83 -24,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.704 84.8 74.8 -86.3 -26.1 -10.2 -11.6 26.1 88 199 A T - 0 0 53 29,-0.0 -2,-0.1 60,-0.0 -24,-0.1 -0.711 69.4-150.5 -89.0 138.2 -9.7 -10.9 29.8 89 200 A T - 0 0 57 -2,-0.3 28,-0.2 26,-0.0 2,-0.0 -0.926 30.6-162.6-101.5 103.5 -10.3 -7.5 31.4 90 201 A P - 0 0 1 0, 0.0 26,-1.9 0, 0.0 2,-0.5 -0.224 24.3 -92.6 -83.3 176.1 -7.8 -7.4 34.2 91 202 A W E -G 115 0B 70 50,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.755 48.1-171.7 -84.2 129.6 -7.5 -5.3 37.3 92 203 A V E -G 114 0B 0 22,-3.1 22,-1.5 -2,-0.5 2,-0.3 -0.928 16.8-141.4-125.2 149.2 -5.3 -2.2 36.7 93 204 A I B -H 121 0C 0 28,-2.9 28,-2.0 -2,-0.3 17,-0.1 -0.743 4.0-160.7-101.2 155.0 -3.7 0.5 38.9 94 205 A K - 0 0 45 15,-0.4 2,-1.7 -2,-0.3 26,-0.1 -0.746 5.4-171.4-136.7 80.0 -3.4 4.2 37.9 95 206 A P + 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.123 58.6 77.7 -78.5 45.9 -0.7 5.8 40.1 96 207 A W B S-I 102 0D 22 -2,-1.7 6,-0.2 6,-0.3 2,-0.1 -0.989 72.1-123.8-147.9 154.0 -1.4 9.4 39.0 97 208 A T > - 0 0 47 4,-2.4 3,-2.0 -2,-0.3 6,-0.0 -0.286 35.6 -96.2 -91.5 174.2 -4.0 12.0 39.8 98 209 A D T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.537 128.7 51.8 -68.6 -6.9 -6.5 14.0 37.7 99 210 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.099 122.8-108.4-107.0 15.6 -3.9 16.8 37.8 100 211 A N < + 0 0 56 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.770 68.8 147.5 59.9 32.3 -1.1 14.4 36.6 101 212 A Q - 0 0 113 1,-0.0 -4,-2.4 0, 0.0 -1,-0.2 -0.798 52.1-113.9 -89.1 135.4 0.7 14.2 40.0 102 213 A W B -I 96 0D 33 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.445 21.8-136.3 -63.9 138.3 2.3 10.9 40.7 103 214 A L + 0 0 36 -8,-2.6 -1,-0.0 -2,-0.1 3,-0.0 -0.858 28.5 169.2 -89.4 132.6 0.9 8.9 43.6 104 215 A T + 0 0 61 -2,-0.5 2,-0.4 27,-0.0 -1,-0.1 0.588 47.0 96.7-114.5 -22.8 3.6 7.4 45.7 105 216 A D > - 0 0 98 1,-0.1 4,-2.1 26,-0.1 3,-0.4 -0.603 68.4-142.2 -73.4 123.8 1.6 6.2 48.7 106 217 A A H > S+ 0 0 7 26,-0.5 4,-2.6 -2,-0.4 5,-0.2 0.884 99.5 52.0 -52.7 -47.0 0.7 2.5 48.4 107 218 A A H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 109.0 50.4 -60.7 -37.9 -2.8 2.8 49.9 108 219 A A H > S+ 0 0 32 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.898 110.4 50.3 -65.7 -40.3 -3.6 5.6 47.5 109 220 A V H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -15,-0.4 0.928 108.5 51.7 -63.2 -44.4 -2.4 3.5 44.6 110 221 A V H >< S+ 0 0 29 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.900 101.5 62.3 -60.0 -37.4 -4.6 0.5 45.7 111 222 A A H 3< S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.687 94.1 63.9 -62.0 -19.1 -7.6 2.8 45.9 112 223 A T T << S+ 0 0 36 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.554 73.7 134.0 -80.7 -8.6 -7.3 3.4 42.1 113 224 A L < + 0 0 36 -3,-1.9 2,-0.3 -4,-0.3 -20,-0.2 -0.111 22.6 152.1 -50.9 132.8 -8.0 -0.2 41.2 114 225 A K E -G 92 0B 56 -22,-1.5 -22,-3.1 2,-0.1 2,-0.7 -0.963 48.5-107.0-150.9 159.8 -10.5 -0.8 38.4 115 226 A Q E +G 91 0B 118 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.860 62.4 130.1 -89.6 114.4 -11.2 -3.5 35.8 116 227 A S - 0 0 25 -26,-1.9 -2,-0.1 -2,-0.7 3,-0.0 -0.978 61.4-133.2-158.2 156.2 -10.1 -2.1 32.4 117 228 A K S S+ 0 0 36 -2,-0.3 51,-0.7 -28,-0.2 2,-0.2 0.404 94.4 10.8 -86.6 0.1 -8.0 -3.1 29.4 118 229 A T S S+ 0 0 44 49,-0.1 -26,-0.1 1,-0.1 3,-0.1 -0.812 86.9 75.2-155.5-169.0 -6.4 0.4 29.5 119 230 A D S S+ 0 0 49 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.873 110.4 10.4 58.5 42.3 -5.9 3.6 31.5 120 231 A G S S- 0 0 0 -3,-0.1 98,-0.5 -26,-0.1 2,-0.3 -0.936 83.7-101.4 146.6-172.9 -3.5 1.9 33.9 121 232 A Y B -H 93 0C 1 -28,-2.0 -28,-2.9 -2,-0.3 69,-0.1 -0.982 28.6 -96.6-146.8 156.5 -1.5 -1.3 34.2 122 233 A Q - 0 0 0 -2,-0.3 -30,-0.2 -30,-0.2 21,-0.1 -0.597 50.0-110.9 -69.9 126.2 -1.6 -4.7 35.9 123 234 A P - 0 0 1 0, 0.0 22,-0.4 0, 0.0 2,-0.3 -0.229 38.8-176.6 -55.1 146.3 0.7 -4.7 39.1 124 235 A T >> - 0 0 14 95,-0.1 3,-1.5 123,-0.1 4,-0.6 -0.800 45.8 -85.6-132.1 179.3 3.8 -6.8 38.9 125 236 A V H >> S+ 0 0 109 1,-0.3 3,-1.0 -2,-0.3 4,-0.7 0.799 122.6 64.6 -61.3 -27.6 6.5 -7.6 41.5 126 237 A S H >> S+ 0 0 16 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.806 92.6 63.4 -66.5 -26.6 8.4 -4.4 40.6 127 238 A D H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.797 91.4 65.1 -64.8 -26.5 5.5 -2.4 41.9 128 239 A Y H << S+ 0 0 45 -3,-1.0 5,-0.5 -4,-0.6 7,-0.3 0.835 110.3 37.2 -64.8 -32.5 6.2 -3.9 45.4 129 240 A V H << S+ 0 0 103 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.855 116.1 52.3 -81.6 -42.5 9.5 -2.0 45.4 130 241 A K H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.858 120.7 31.5 -64.3 -37.1 8.2 1.1 43.7 131 242 A F S >< S- 0 0 0 -4,-2.5 3,-2.5 -5,-0.1 -1,-0.3 -0.779 93.5-141.3-122.8 81.7 5.3 1.6 46.1 132 243 A P T 3 S+ 0 0 102 0, 0.0 -26,-0.5 0, 0.0 -3,-0.1 -0.177 83.2 18.9 -57.2 131.5 6.5 0.2 49.4 133 244 A G T >> S+ 0 0 42 -5,-0.5 4,-1.1 -27,-0.1 3,-0.7 0.185 90.0 110.6 96.9 -14.0 3.9 -1.7 51.4 134 245 A I H <> + 0 0 0 -3,-2.5 4,-2.3 -6,-0.3 -6,-0.1 0.783 65.5 68.1 -66.6 -26.0 1.6 -2.2 48.3 135 246 A E H 34 S+ 0 0 100 -7,-0.3 -1,-0.2 -4,-0.3 -7,-0.1 0.912 106.2 41.2 -58.3 -42.4 2.4 -6.0 48.3 136 247 A T H <4 S+ 0 0 128 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.792 118.0 47.1 -72.1 -31.9 0.5 -6.4 51.6 137 248 A L H < S+ 0 0 87 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.715 86.6 95.8 -89.7 -24.3 -2.3 -4.0 50.6 138 249 A L S < S- 0 0 6 -4,-2.3 5,-0.1 1,-0.1 -31,-0.0 -0.478 80.6-115.7 -67.1 136.1 -3.2 -5.2 47.1 139 250 A P > - 0 0 42 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.418 26.9-112.7 -65.3 148.9 -6.1 -7.6 47.0 140 251 A P G > S+ 0 0 115 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.838 115.3 62.6 -53.3 -33.6 -5.1 -11.1 45.8 141 252 A N G 3 S+ 0 0 95 1,-0.3 -50,-0.3 3,-0.0 -3,-0.0 0.637 103.4 50.1 -70.0 -9.5 -7.2 -10.7 42.6 142 253 A A G < S+ 0 0 0 -3,-2.2 2,-0.4 -52,-0.1 -1,-0.3 0.327 98.1 84.5-105.4 3.7 -4.9 -7.8 41.6 143 254 A K S < S+ 0 0 69 -3,-1.6 -19,-0.1 -4,-0.3 -52,-0.0 -0.859 91.9 9.5-108.3 142.6 -1.7 -9.6 42.2 144 255 A G S S+ 0 0 67 -2,-0.4 -1,-0.2 -21,-0.2 -20,-0.1 0.670 78.5 162.3 72.3 17.7 0.1 -11.9 39.8 145 256 A Q - 0 0 28 -22,-0.4 -1,-0.2 -3,-0.2 -3,-0.0 -0.357 21.2-170.3 -71.3 157.6 -2.0 -11.2 36.7 146 257 A N + 0 0 103 -22,-0.0 2,-0.6 -2,-0.0 -80,-0.1 -0.236 22.6 151.2-147.2 48.0 -0.6 -12.1 33.3 147 258 A I + 0 0 21 -82,-0.1 44,-2.1 2,-0.0 2,-0.3 -0.769 10.4 136.9 -95.1 116.3 -2.8 -10.7 30.6 148 259 A T - 0 0 5 -2,-0.6 -82,-3.0 42,-0.2 2,-0.6 -0.963 40.5-148.5-148.8 142.5 -1.3 -9.8 27.2 149 260 A S E -gj 66 169A 0 19,-2.8 21,-2.3 -2,-0.3 2,-0.5 -0.962 34.6-171.1-107.6 106.6 -2.5 -10.3 23.7 150 261 A T E -gj 67 170A 6 -84,-2.5 -82,-2.8 -2,-0.6 2,-0.7 -0.888 27.1-151.8-115.4 126.8 0.8 -10.8 21.8 151 262 A L E -gj 68 171A 2 19,-2.3 21,-2.9 -2,-0.5 2,-0.6 -0.877 25.2-163.3 -86.1 116.1 1.6 -11.0 18.1 152 263 A E E -gj 69 172A 1 -84,-3.0 -82,-3.1 -2,-0.7 2,-0.6 -0.928 13.1-163.2-108.5 121.0 4.8 -13.1 18.0 153 264 A I E -gj 70 173A 1 19,-3.2 21,-2.5 -2,-0.6 2,-0.5 -0.916 22.1-158.1 -98.3 117.8 6.9 -13.1 14.8 154 265 A R E -gj 71 174A 69 -84,-2.8 -82,-0.6 -2,-0.6 21,-0.2 -0.906 54.4 -25.6-114.3 122.3 9.1 -16.1 15.2 155 266 A E S S+ 0 0 152 19,-3.1 2,-0.3 -2,-0.5 -83,-0.2 0.855 91.7 143.6 51.9 46.1 12.4 -16.8 13.5 156 267 A C - 0 0 4 18,-0.2 21,-1.7 -3,-0.2 2,-0.4 -0.798 39.7-147.1-111.8 156.6 11.7 -14.6 10.5 157 268 A I B S+j 177 0E 75 -84,-0.5 21,-0.2 -2,-0.3 -81,-0.2 -0.983 75.8 7.4-121.5 133.2 14.0 -12.3 8.5 158 269 A G S S+ 0 0 15 19,-1.9 -82,-2.8 -2,-0.4 2,-0.4 0.868 82.3 145.0 70.7 39.2 13.0 -9.1 6.9 159 270 A V - 0 0 0 18,-0.3 21,-1.7 -84,-0.2 2,-0.4 -0.917 29.0-162.9-110.4 134.1 9.4 -8.7 8.3 160 271 A E E -hk 78 180A 52 -83,-1.9 -81,-2.4 -2,-0.4 2,-0.5 -0.961 9.6-158.3-121.5 135.6 7.9 -5.3 9.2 161 272 A V E -hk 79 181A 1 19,-2.7 21,-3.0 -2,-0.4 2,-0.4 -0.963 21.1-170.1-110.2 120.1 5.0 -4.6 11.3 162 273 A H E -hk 80 182A 12 -83,-2.9 -81,-2.5 -2,-0.5 -80,-0.4 -0.918 57.4 -3.2-119.2 135.9 3.5 -1.2 10.5 163 274 A R S S+ 0 0 115 19,-2.1 21,-0.2 -2,-0.4 -1,-0.2 0.827 80.7 174.9 59.5 37.1 0.8 0.9 12.3 164 275 A A + 0 0 0 18,-0.4 21,-2.4 -3,-0.2 2,-0.2 -0.404 3.2 161.7 -74.4 150.4 0.1 -1.7 14.9 165 276 A S E +i 83 0A 21 -83,-2.7 -81,-1.8 19,-0.2 2,-0.3 -0.821 1.2 135.1-148.9-170.5 -2.3 -1.0 17.8 166 277 A G E -i 84 0A 3 -83,-0.3 22,-2.3 19,-0.3 2,-0.4 -0.909 46.7 -87.5 152.5-177.3 -4.3 -2.8 20.4 167 278 A L E S-il 85 188A 47 -83,-2.3 -81,-1.2 -2,-0.3 22,-0.2 -1.000 109.7 -0.6-132.6 126.1 -5.6 -3.1 24.0 168 279 A M E S+ 0 0 1 -51,-0.7 -19,-2.8 20,-0.6 22,-0.3 0.869 107.0 164.5 55.6 40.6 -3.5 -5.1 26.5 169 280 A A E +jl 149 189A 0 19,-2.5 21,-0.7 -21,-0.2 2,-0.3 -0.617 26.6 177.9-103.0 144.2 -1.3 -5.6 23.4 170 281 A G E -j 150 0A 0 -21,-2.3 -19,-2.3 -2,-0.3 2,-0.4 -0.953 15.3-153.6-139.1 159.9 2.2 -6.8 22.9 171 282 A F E -jm 151 195A 3 23,-1.8 25,-2.2 22,-0.4 2,-0.5 -0.993 15.8-174.2-137.2 118.0 4.5 -7.4 19.9 172 283 A L E -jm 152 196A 19 -21,-2.9 -19,-3.2 -2,-0.4 2,-0.6 -0.980 15.3-168.9-123.6 127.3 7.3 -9.9 20.1 173 284 A F E -jm 153 197A 2 23,-2.8 25,-2.6 -2,-0.5 2,-0.6 -0.963 19.2-171.7-111.0 108.3 10.0 -10.6 17.6 174 285 A R E -jm 154 198A 87 -21,-2.5 -19,-3.1 -2,-0.6 -18,-0.2 -0.913 67.9 -11.7-110.6 117.0 11.7 -13.8 18.8 175 286 A G S S+ 0 0 16 23,-2.9 2,-0.2 -2,-0.6 -1,-0.2 0.764 100.3 143.9 67.9 28.4 14.8 -15.0 17.1 176 287 A C - 0 0 0 22,-0.3 2,-0.3 -3,-0.2 30,-0.3 -0.564 33.5-162.9 -99.4 159.5 14.3 -12.5 14.2 177 288 A H B +j 157 0E 30 -21,-1.7 -19,-1.9 -2,-0.2 -18,-0.3 -0.987 70.0 12.6-138.7 147.8 16.7 -10.4 12.1 178 289 A F S S+ 0 0 85 28,-2.7 2,-0.3 -2,-0.3 30,-0.2 0.835 90.0 139.9 57.4 37.7 16.3 -7.4 9.9 179 290 A C - 0 0 0 27,-0.2 30,-1.8 -21,-0.2 2,-0.4 -0.781 33.6-160.5-110.4 152.6 12.8 -6.9 11.3 180 291 A K E -kn 160 209A 59 -21,-1.7 -19,-2.7 -2,-0.3 2,-0.6 -0.993 22.0-151.0-138.7 145.2 11.1 -3.5 12.2 181 292 A M E -kn 161 210A 0 28,-2.5 30,-2.3 -2,-0.4 2,-0.4 -0.951 36.4-170.8-108.4 105.4 8.2 -2.2 14.2 182 293 A V E -kn 162 211A 15 -21,-3.0 -19,-2.1 -2,-0.6 -18,-0.4 -0.862 52.2 -12.8-114.3 133.4 7.3 0.9 12.3 183 294 A D S S- 0 0 81 28,-2.9 30,-0.3 -2,-0.4 -1,-0.2 0.860 73.4-154.1 50.9 44.5 4.9 3.8 13.2 184 295 A A - 0 0 3 28,-0.5 30,-2.1 27,-0.3 2,-1.3 -0.245 10.4-136.7 -47.0 125.6 3.3 1.9 16.1 185 296 A N E - o 0 214A 105 -21,-2.4 -19,-0.3 28,-0.2 -1,-0.1 -0.420 53.8 -77.1 -93.6 59.3 -0.1 3.5 16.4 186 297 A N E - 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