==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT, MEMBRANE PROTEIN 22-JUL-05 2AEM . COMPND 2 MOLECULE: CALCIUM-GATED POTASSIUM CHANNEL MTHK; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR J.DONG,N.SHI,I.BERKE,L.CHEN,Y.JIANG . 226 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.4 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 . 1 0.4 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 2 1 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 . 2 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 113 A A 0 0 152 0, 0.0 2,-0.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 60.1 112.0 70.0 51.1 2 114 A K - 0 0 128 65,-0.1 65,-0.0 1,-0.0 0, 0.0 -0.255 360.0-133.8 -97.4-173.0 111.5 67.3 48.4 3 115 A S + 0 0 99 -2,-0.1 2,-0.0 22,-0.0 64,-0.0 -0.215 55.7 121.4-142.8 50.1 108.5 66.5 46.2 4 116 A R - 0 0 159 1,-0.2 22,-0.3 21,-0.0 2,-0.2 0.113 69.0 -68.5 -88.7-153.2 108.0 62.8 46.2 5 117 A H - 0 0 27 60,-0.3 62,-3.0 57,-0.1 63,-0.8 -0.670 39.7-133.6-103.9 161.7 104.7 61.1 47.3 6 118 A V E -ab 27 68A 10 20,-2.1 22,-2.5 -2,-0.2 2,-0.5 -0.906 9.8-152.8-115.3 141.2 103.2 60.9 50.8 7 119 A V E -ab 28 69A 0 61,-2.1 63,-3.2 -2,-0.4 2,-0.5 -0.951 5.3-164.2-114.9 129.9 101.7 57.8 52.4 8 120 A I E -ab 29 70A 0 20,-3.3 22,-2.7 -2,-0.5 2,-0.5 -0.961 6.3-158.2-114.4 121.4 98.9 58.1 55.1 9 121 A C E +ab 30 71A 0 61,-3.7 63,-2.4 -2,-0.5 22,-0.2 -0.869 58.0 7.3-101.9 124.5 98.3 55.0 57.2 10 122 A G S S- 0 0 5 20,-3.0 2,-0.4 -2,-0.5 63,-0.1 0.152 75.5-104.7 89.7 151.1 94.9 54.7 58.9 11 123 A W + 0 0 72 18,-0.1 2,-0.3 4,-0.0 3,-0.1 -0.943 51.1 122.8-120.5 137.2 91.7 56.8 58.6 12 124 A S S > S- 0 0 31 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.955 73.3 -79.3-170.3 176.8 90.3 59.3 61.0 13 125 A E H > S+ 0 0 141 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.898 129.2 54.7 -58.3 -39.8 89.2 63.0 61.2 14 126 A S H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.943 108.3 48.5 -55.8 -51.0 92.9 63.9 61.5 15 127 A T H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.808 109.1 54.3 -58.4 -36.0 93.7 62.1 58.3 16 128 A L H X S+ 0 0 17 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.907 112.5 40.6 -68.1 -43.6 90.8 63.7 56.5 17 129 A E H X S+ 0 0 81 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.891 115.4 53.3 -70.2 -40.8 91.9 67.3 57.4 18 130 A C H X S+ 0 0 35 -4,-2.6 4,-0.8 -5,-0.3 -2,-0.2 0.854 106.5 51.6 -60.9 -38.5 95.4 66.3 56.7 19 131 A L H < S+ 0 0 3 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.760 107.0 54.7 -71.4 -26.0 94.4 65.0 53.3 20 132 A R H >< S+ 0 0 126 -4,-1.0 3,-2.1 -3,-0.3 -2,-0.2 0.934 104.4 52.7 -70.9 -48.0 92.8 68.3 52.6 21 133 A E H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 111.0 48.6 -59.4 -22.6 96.0 70.2 53.3 22 134 A L T >< S+ 0 0 46 -4,-0.8 2,-0.9 -5,-0.2 3,-0.8 0.288 75.5 136.3-101.3 8.6 97.7 67.9 50.8 23 135 A R T < + 0 0 174 -3,-2.1 21,-0.1 1,-0.3 3,-0.1 -0.409 69.0 41.2 -58.6 98.6 95.1 68.4 48.2 24 136 A G T 3 S+ 0 0 82 -2,-0.9 2,-0.3 1,-0.6 -1,-0.3 0.546 100.1 80.8 129.4 26.2 97.4 68.9 45.2 25 137 A S S < S- 0 0 49 -3,-0.8 2,-0.7 -19,-0.0 -1,-0.6 -0.966 88.1 -92.0-150.8 157.8 100.0 66.2 45.7 26 138 A E + 0 0 111 -2,-0.3 -20,-2.1 -22,-0.3 2,-0.4 -0.677 53.3 173.6 -80.1 115.7 100.2 62.5 45.1 27 139 A V E -a 6 0A 2 -2,-0.7 19,-2.8 17,-0.2 2,-0.5 -0.940 23.0-155.0-125.0 145.6 99.1 60.8 48.3 28 140 A F E -ac 7 46A 27 -22,-2.5 -20,-3.3 -2,-0.4 2,-0.6 -0.985 8.3-159.6-120.9 123.2 98.4 57.1 49.1 29 141 A V E -ac 8 47A 0 17,-3.3 19,-3.2 -2,-0.5 2,-0.6 -0.913 3.7-161.9-106.0 116.6 96.0 56.2 51.9 30 142 A L E +ac 9 48A 0 -22,-2.7 -20,-3.0 -2,-0.6 2,-0.3 -0.866 28.0 147.1 -98.6 122.2 96.4 52.7 53.3 31 143 A A E - c 0 49A 4 17,-2.0 19,-2.0 -2,-0.6 20,-0.1 -0.994 46.0-143.3-156.2 150.5 93.3 51.6 55.3 32 144 A E S S+ 0 0 112 -2,-0.3 2,-0.6 17,-0.2 -1,-0.1 0.913 79.8 83.8 -79.8 -49.2 91.3 48.5 56.1 33 145 A D > - 0 0 93 1,-0.2 3,-0.7 17,-0.1 4,-0.3 -0.469 63.1-160.2 -65.5 113.3 87.8 49.8 56.1 34 146 A E G > S+ 0 0 107 -2,-0.6 3,-1.3 1,-0.2 4,-0.4 0.702 81.0 76.7 -65.2 -25.3 86.7 49.8 52.4 35 147 A N G > S+ 0 0 131 1,-0.3 3,-1.2 2,-0.1 4,-0.4 0.934 86.6 62.6 -51.3 -49.2 83.9 52.4 53.1 36 148 A V G <> S+ 0 0 14 -3,-0.7 4,-2.0 1,-0.2 3,-0.4 0.710 77.6 88.3 -48.4 -30.8 86.5 55.1 53.2 37 149 A R H <> S+ 0 0 90 -3,-1.3 4,-2.4 -4,-0.3 5,-0.3 0.838 85.1 54.0 -38.8 -50.6 87.5 54.5 49.5 38 150 A K H <> S+ 0 0 175 -3,-1.2 4,-3.1 -4,-0.4 -1,-0.2 0.949 109.6 46.0 -50.9 -58.1 84.9 57.0 48.3 39 151 A K H 4 S+ 0 0 94 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.836 112.3 51.2 -54.8 -41.5 86.1 59.8 50.5 40 152 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.4 1,-0.2 3,-0.8 0.909 115.0 41.2 -66.2 -44.2 89.8 59.3 49.6 41 153 A L H ><5S+ 0 0 97 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.915 107.0 61.7 -69.9 -43.4 89.1 59.3 45.9 42 154 A R T 3<5S+ 0 0 178 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.1 0.132 106.5 51.1 -70.7 24.4 86.7 62.2 46.1 43 155 A S T < 5S- 0 0 24 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.177 120.7-102.2-144.5 12.5 89.7 64.1 47.5 44 156 A G T < 5S+ 0 0 59 -3,-2.3 -17,-0.2 1,-0.3 -3,-0.2 0.167 82.8 118.8 85.3 -17.0 92.3 63.4 44.8 45 157 A A < - 0 0 4 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.3 -0.296 65.3-113.0 -82.1 165.4 94.2 60.7 46.8 46 158 A N E -c 28 0A 61 -19,-2.8 -17,-3.3 -3,-0.1 2,-0.4 -0.848 25.5-140.8 -99.9 129.6 94.8 57.1 46.0 47 159 A F E -c 29 0A 28 -2,-0.5 2,-0.5 -19,-0.2 -17,-0.2 -0.748 12.9-168.7 -92.4 135.8 93.2 54.5 48.2 48 160 A V E -c 30 0A 20 -19,-3.2 -17,-2.0 -2,-0.4 2,-0.8 -0.933 16.3-144.7-124.9 103.5 95.1 51.4 49.1 49 161 A H E +c 31 0A 76 -2,-0.5 2,-0.3 -19,-0.2 -17,-0.2 -0.555 55.7 90.6 -70.9 104.7 92.9 48.8 50.7 50 162 A G S S- 0 0 10 -19,-2.0 -2,-0.1 -2,-0.8 -17,-0.1 -0.965 75.6 -72.7-172.2-172.0 95.0 47.0 53.3 51 163 A D > - 0 0 31 -2,-0.3 3,-1.3 1,-0.1 6,-0.3 -0.910 24.0-153.2-109.1 121.3 96.3 46.7 56.8 52 164 A P T 3 S+ 0 0 6 0, 0.0 34,-0.1 0, 0.0 33,-0.1 0.611 96.5 57.8 -67.2 -10.9 98.9 49.3 58.0 53 165 A T T 3 S+ 0 0 29 32,-0.1 2,-0.6 31,-0.1 3,-0.0 0.592 90.4 86.8 -92.3 -11.0 100.4 46.8 60.5 54 166 A R S X> S- 0 0 120 -3,-1.3 4,-1.8 1,-0.1 3,-0.8 -0.808 70.7-151.4 -92.3 117.8 101.1 44.4 57.7 55 167 A V H 3> S+ 0 0 62 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.783 94.8 57.4 -58.6 -30.6 104.5 45.1 56.1 56 168 A S H 3> S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 107.9 47.3 -71.2 -32.4 103.3 43.7 52.7 57 169 A D H <> S+ 0 0 16 -3,-0.8 4,-0.8 -6,-0.3 -2,-0.2 0.834 107.5 55.7 -75.6 -33.6 100.5 46.2 52.6 58 170 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.4 -7,-0.2 3,-0.7 0.914 107.8 50.7 -63.7 -39.4 102.8 49.1 53.6 59 171 A E H ><5S+ 0 0 108 -4,-1.8 3,-2.2 1,-0.3 -2,-0.2 0.925 105.0 54.8 -63.2 -45.2 104.9 48.1 50.6 60 172 A K H 3<5S+ 0 0 115 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.679 104.1 57.4 -62.3 -17.4 101.9 48.2 48.3 61 173 A A T <<5S- 0 0 0 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.348 117.6-113.7 -95.2 5.6 101.3 51.7 49.5 62 174 A N T < 5 + 0 0 63 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.886 59.0 156.2 66.3 43.1 104.8 52.8 48.4 63 175 A V > < + 0 0 0 -5,-1.4 3,-1.4 2,-0.1 2,-0.2 0.800 45.6 96.5 -68.6 -26.9 106.2 53.5 51.8 64 176 A R T 3 S- 0 0 57 1,-0.3 26,-0.1 -5,-0.2 22,-0.0 -0.439 103.2 -5.2 -67.9 130.4 109.7 52.9 50.4 65 177 A G T 3 S+ 0 0 46 -2,-0.2 -60,-0.3 1,-0.2 -1,-0.3 0.812 94.2 158.2 56.1 32.0 111.4 56.1 49.5 66 178 A A < - 0 0 3 -3,-1.4 28,-0.4 1,-0.1 -60,-0.2 -0.479 54.7-119.8 -82.0 158.2 108.3 58.1 50.2 67 179 A R S S- 0 0 102 -62,-3.0 27,-0.4 1,-0.3 2,-0.3 0.897 90.0 -27.5 -63.7 -38.8 108.6 61.8 51.0 68 180 A A E -b 6 0A 15 -63,-0.8 -61,-2.1 25,-0.1 2,-0.5 -0.931 57.1-135.9-172.1 151.1 107.0 61.1 54.4 69 181 A V E -bd 7 95A 0 25,-3.0 27,-2.6 -2,-0.3 2,-0.5 -0.981 16.3-157.8-120.2 128.2 104.7 58.6 56.0 70 182 A I E -bd 8 96A 38 -63,-3.2 -61,-3.7 -2,-0.5 2,-0.5 -0.921 8.6-164.2-109.1 128.9 101.9 59.7 58.3 71 183 A V E +bd 9 97A 1 25,-3.0 27,-1.5 -2,-0.5 -61,-0.2 -0.944 23.5 152.7-119.3 128.6 100.4 57.3 60.8 72 184 A D + 0 0 12 -63,-2.4 -57,-0.1 -2,-0.5 2,-0.1 -0.566 21.0 170.6-152.1 84.1 97.2 57.6 62.7 73 185 A L - 0 0 19 2,-0.3 6,-0.1 25,-0.2 -63,-0.1 -0.360 50.6 -96.5 -93.2 172.3 95.6 54.3 63.7 74 186 A E S S+ 0 0 90 -2,-0.1 2,-0.3 1,-0.1 3,-0.1 0.285 109.0 30.0 -68.6 11.4 92.7 53.3 66.0 75 187 A S S > S- 0 0 37 1,-0.1 4,-2.0 2,-0.0 -2,-0.3 -0.941 70.3-131.3-169.6 142.0 95.3 52.6 68.7 76 188 A D H > S+ 0 0 8 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.850 115.1 58.0 -66.0 -30.4 98.7 53.8 69.9 77 189 A S H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.955 107.5 44.5 -62.2 -49.1 99.5 50.2 70.0 78 190 A E H > S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.816 111.2 53.8 -64.5 -32.2 98.6 49.8 66.3 79 191 A T H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.924 109.7 47.5 -68.4 -42.7 100.5 53.0 65.4 80 192 A I H X S+ 0 0 28 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 114.0 48.8 -62.4 -40.5 103.6 51.6 67.2 81 193 A H H X S+ 0 0 101 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 111.3 48.6 -64.2 -48.0 103.1 48.3 65.3 82 194 A C H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.957 110.8 50.7 -56.8 -52.9 102.7 50.1 61.9 83 195 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.909 106.7 53.6 -52.9 -50.0 105.8 52.2 62.5 84 196 A L H X S+ 0 0 81 -4,-2.3 4,-1.5 1,-0.3 -1,-0.2 0.922 109.8 49.6 -51.2 -47.2 107.9 49.1 63.3 85 197 A G H X S+ 0 0 6 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.908 109.2 52.4 -60.3 -42.0 106.8 47.7 60.1 86 198 A I H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-1.5 0.951 105.5 51.9 -59.9 -51.7 107.7 50.9 58.3 87 199 A R H 3< S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.2 60.6 -54.9 -30.7 111.3 51.0 59.6 88 200 A K H 3< S+ 0 0 175 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.833 112.6 36.9 -65.8 -31.5 111.6 47.4 58.4 89 201 A I H << S+ 0 0 39 -3,-1.5 2,-0.3 -4,-1.0 -2,-0.2 0.864 138.3 5.1 -87.7 -41.9 110.9 48.6 54.8 90 202 A D < - 0 0 24 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.880 56.6-169.4-148.3 110.8 112.7 52.0 54.9 91 203 A E S S+ 0 0 171 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 0.379 87.5 44.8 -85.2 8.6 114.8 53.1 57.9 92 204 A S S S+ 0 0 101 2,-0.1 -1,-0.2 -5,-0.0 3,-0.1 0.640 78.2 115.2-119.6 -26.0 115.3 56.7 56.7 93 205 A V S S- 0 0 7 1,-0.1 2,-0.2 -7,-0.1 -25,-0.1 -0.162 75.3-105.3 -51.3 134.5 111.8 57.7 55.5 94 206 A R - 0 0 97 -27,-0.4 -25,-3.0 -28,-0.4 2,-0.5 -0.450 37.9-160.8 -67.1 128.5 110.3 60.6 57.6 95 207 A I E -d 69 0A 0 17,-0.3 19,-2.1 -2,-0.2 20,-1.7 -0.951 11.9-174.8-119.1 127.5 107.6 59.3 59.9 96 208 A I E +de 70 115A 29 -27,-2.6 -25,-3.0 -2,-0.5 2,-0.3 -0.977 15.3 179.8-118.8 127.3 104.9 61.5 61.5 97 209 A A E -de 71 116A 3 18,-2.6 20,-2.0 -2,-0.5 2,-0.5 -0.873 26.3-129.0-129.3 161.4 102.6 59.9 64.0 98 210 A E E - e 0 117A 30 -27,-1.5 2,-0.4 -2,-0.3 -25,-0.2 -0.936 20.0-158.1-110.8 125.7 99.6 60.8 66.3 99 211 A A - 0 0 0 18,-2.4 21,-0.4 -2,-0.5 3,-0.1 -0.839 11.0-171.9-102.3 138.1 99.8 59.7 69.9 100 212 A E S S+ 0 0 88 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.800 77.1 45.3 -94.4 -37.3 96.6 59.4 71.9 101 213 A R S > S- 0 0 148 1,-0.1 3,-1.7 19,-0.1 4,-0.4 -0.909 76.0-138.4-111.7 135.9 98.2 58.9 75.2 102 214 A Y G > S+ 0 0 149 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.888 101.2 63.9 -55.5 -44.4 101.1 61.1 76.5 103 215 A E G 3 S+ 0 0 140 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.584 98.8 57.2 -59.4 -11.2 102.9 58.1 77.9 104 216 A N G <> S+ 0 0 39 -3,-1.7 4,-2.8 2,-0.1 -1,-0.3 0.584 78.3 87.7 -98.2 -10.8 103.3 56.6 74.4 105 217 A I H <> S+ 0 0 18 -3,-1.9 4,-2.5 -4,-0.4 5,-0.2 0.943 92.5 46.1 -52.2 -50.4 105.1 59.5 72.8 106 218 A E H > S+ 0 0 131 -4,-0.4 4,-3.6 1,-0.2 5,-0.2 0.944 113.9 46.5 -56.6 -54.2 108.5 58.1 73.8 107 219 A Q H > S+ 0 0 89 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.846 111.6 53.6 -58.3 -35.2 107.7 54.5 72.8 108 220 A L H X>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 4,-0.9 0.911 111.6 45.3 -66.3 -41.7 106.4 55.9 69.5 109 221 A R H ><5S+ 0 0 141 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.956 109.7 53.6 -65.3 -49.4 109.6 57.8 69.0 110 222 A M H 3<5S+ 0 0 118 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 103.6 59.1 -56.0 -28.3 111.7 54.7 70.0 111 223 A A H 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.795 134.5 -84.1 -71.8 -27.6 109.7 52.8 67.3 112 224 A G T <<5S+ 0 0 13 -3,-1.5 -17,-0.3 -4,-0.9 2,-0.2 0.411 74.0 151.5 139.0 3.6 111.0 55.2 64.7 113 225 A A < - 0 0 9 -5,-2.0 -1,-0.2 1,-0.2 3,-0.2 -0.463 26.6-166.8 -68.9 128.2 108.7 58.2 64.7 114 226 A D S S+ 0 0 75 -19,-2.1 2,-0.3 1,-0.3 -18,-0.2 0.754 78.8 19.0 -84.1 -28.0 110.4 61.4 63.6 115 227 A Q E -e 96 0A 88 -20,-1.7 -18,-2.6 2,-0.0 2,-0.4 -0.952 67.7-165.0-147.5 125.0 107.6 63.7 64.8 116 228 A V E -e 97 0A 12 -2,-0.3 2,-0.4 -20,-0.2 -18,-0.2 -0.929 2.1-167.9-113.7 135.5 104.8 62.9 67.3 117 229 A I E -e 98 0A 84 -20,-2.0 -18,-2.4 -2,-0.4 -2,-0.0 -0.979 5.5-161.8-120.6 128.5 101.7 65.1 67.8 118 230 A S > + 0 0 18 -2,-0.4 4,-2.0 -20,-0.2 3,-0.4 -0.727 11.7 175.9-117.2 85.8 99.4 64.6 70.8 119 231 A P H > S+ 0 0 37 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.739 77.1 54.4 -54.3 -36.4 96.0 66.2 70.1 120 232 A F H > S+ 0 0 111 -21,-0.4 4,-3.9 2,-0.2 5,-0.3 0.898 107.7 49.1 -73.1 -38.9 94.2 65.1 73.3 121 233 A V H > S+ 0 0 46 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.981 115.0 46.1 -60.5 -53.4 96.9 66.6 75.5 122 234 A I H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 117.6 44.6 -53.1 -45.7 96.6 69.8 73.5 123 235 A S H X S+ 0 0 55 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.961 111.8 48.9 -66.0 -54.5 92.8 69.6 73.7 124 236 A G H X S+ 0 0 31 -4,-3.9 4,-2.2 1,-0.2 -1,-0.2 0.866 113.5 49.8 -54.5 -37.2 92.4 68.7 77.3 125 237 A R H X S+ 0 0 149 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.949 109.2 48.9 -68.8 -49.2 94.8 71.6 78.1 126 238 A L H < S+ 0 0 21 -4,-2.2 11,-0.2 -5,-0.2 -2,-0.2 0.879 113.0 50.8 -56.9 -37.8 92.9 74.2 76.0 127 239 A M H >< S+ 0 0 117 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.932 107.8 48.4 -67.9 -47.5 89.7 73.0 77.7 128 240 A S H >< S+ 0 0 74 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.794 112.5 53.2 -64.1 -23.0 90.8 73.3 81.3 129 241 A R T 3< S+ 0 0 145 -4,-1.7 4,-0.4 1,-0.2 -1,-0.3 0.432 101.6 60.1 -90.0 -1.2 92.2 76.8 80.3 130 242 A S T < + 0 0 41 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.188 64.8 109.4-111.5 16.2 88.8 77.9 78.9 131 243 A I S < S+ 0 0 131 -3,-0.6 -1,-0.1 1,-0.1 -2,-0.1 0.660 101.0 10.8 -67.3 -14.4 86.7 77.6 82.0 132 244 A D S S+ 0 0 143 1,-0.4 2,-0.2 -3,-0.2 -1,-0.1 0.623 134.5 22.3-127.7 -48.5 86.5 81.4 82.3 133 245 A D - 0 0 96 -4,-0.4 -1,-0.4 1,-0.0 4,-0.1 -0.635 52.2-154.6-114.1 177.9 87.8 83.0 79.1 134 246 A G > + 0 0 19 -2,-0.2 4,-3.8 -3,-0.1 5,-0.2 0.154 62.7 110.0-136.6 14.0 88.2 81.6 75.6 135 247 A Y H > S+ 0 0 166 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.917 80.5 44.4 -59.4 -50.1 91.0 83.8 74.4 136 248 A E H > S+ 0 0 80 -7,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 118.1 46.4 -60.2 -47.2 93.7 81.2 74.3 137 249 A A H > S+ 0 0 21 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.954 110.1 52.3 -58.5 -54.3 91.3 78.8 72.6 138 250 A M H X S+ 0 0 107 -4,-3.8 4,-2.8 1,-0.2 -1,-0.2 0.903 110.6 49.8 -48.7 -46.0 90.1 81.4 70.2 139 251 A F H X S+ 0 0 103 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.968 116.3 39.5 -57.6 -58.4 93.8 82.0 69.3 140 252 A V H X>S+ 0 0 28 -4,-2.6 4,-3.2 1,-0.2 5,-0.9 0.918 116.6 50.7 -56.5 -49.7 94.6 78.4 68.7 141 253 A Q H X>S+ 0 0 88 -4,-3.7 5,-2.8 -5,-0.2 4,-1.0 0.907 115.0 44.3 -57.5 -43.6 91.4 77.6 67.0 142 254 A D H <5S+ 0 0 31 -4,-2.8 6,-1.2 -5,-0.3 -2,-0.2 0.842 124.7 29.9 -73.0 -37.9 91.8 80.6 64.7 143 255 A V H <5S+ 0 0 3 -4,-2.6 9,-0.7 4,-0.2 -2,-0.2 0.787 131.4 31.8 -93.7 -32.5 95.5 80.1 63.8 144 256 A L H <5S+ 0 0 103 -4,-3.2 -3,-0.2 -5,-0.4 -2,-0.1 0.738 132.0 19.5 -98.9 -24.9 95.8 76.3 64.0 145 257 A A T < - 0 0 52 0, 0.0 3,-1.5 0, 0.0 2,-0.3 -0.024 30.6 -88.3 -56.0 161.6 117.5 81.3 50.8 159 271 A E T 3 S+ 0 0 151 1,-0.3 65,-0.1 43,-0.1 42,-0.0 -0.594 119.8 20.4 -72.1 130.4 121.2 81.3 50.2 160 272 A G T 3 S+ 0 0 29 -2,-0.3 65,-2.4 1,-0.2 -1,-0.3 0.667 90.7 170.5 83.8 15.9 122.2 84.9 49.8 161 273 A S B X -I 224 0C 4 -3,-1.5 3,-1.3 63,-0.3 63,-0.3 -0.124 47.1-117.8 -55.8 155.6 119.1 86.2 51.5 162 274 A K T 3 S+ 0 0 80 61,-2.4 -1,-0.1 60,-0.6 60,-0.1 0.659 119.0 50.2 -71.4 -14.8 118.9 89.9 52.4 163 275 A L T > S+ 0 0 3 59,-0.5 3,-2.1 60,-0.2 37,-0.4 0.283 79.2 134.1-104.1 8.6 118.7 88.8 56.1 164 276 A E T < S+ 0 0 71 -3,-1.3 37,-0.2 1,-0.3 3,-0.1 -0.405 84.3 0.3 -59.9 124.5 121.8 86.5 55.7 165 277 A G T 3 S+ 0 0 50 35,-2.1 2,-0.5 1,-0.2 -1,-0.3 0.776 100.5 135.9 66.0 25.4 124.0 87.2 58.7 166 278 A V < - 0 0 36 -3,-2.1 34,-1.7 34,-0.0 -1,-0.2 -0.909 55.1-120.8-108.8 132.3 121.6 89.8 60.1 167 279 A S B > -J 199 0D 21 -2,-0.5 4,-2.2 32,-0.3 32,-0.3 -0.292 21.2-117.2 -67.9 154.2 120.8 89.8 63.8 168 280 A V H > S+ 0 0 41 30,-2.2 4,-1.4 27,-0.5 5,-0.4 0.951 116.8 52.8 -52.9 -51.9 117.2 89.3 65.0 169 281 A L H >4 S+ 0 0 103 27,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.923 113.0 42.3 -51.2 -51.3 117.3 92.7 66.5 170 282 A D H 34 S+ 0 0 113 26,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 104.4 64.6 -71.2 -24.9 118.5 94.4 63.3 171 283 A A H 3< S- 0 0 0 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.842 78.0-167.9 -65.8 -32.7 116.2 92.4 61.1 172 284 A D > + 0 0 9 -5,-0.4 4,-2.8 1,-0.2 5,-0.7 0.838 63.5 52.4 -53.8 -46.3 110.9 91.6 61.1 174 286 A H H >5S+ 0 0 93 1,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.946 113.7 41.4 -60.7 -49.8 107.7 92.3 63.0 175 287 A D H 45S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.786 119.7 44.9 -70.2 -27.8 107.6 96.0 62.5 176 288 A V H <5S+ 0 0 76 -4,-1.8 -2,-0.2 3,-0.1 -1,-0.2 0.866 133.6 14.5 -82.8 -37.9 108.7 95.8 58.9 177 289 A T H <5S- 0 0 3 -4,-2.8 -3,-0.2 -5,-0.2 40,-0.2 0.695 90.5-124.0-111.7 -25.8 106.3 92.9 57.9 178 290 A G << + 0 0 20 -4,-2.5 2,-0.4 -5,-0.7 -4,-0.2 0.393 67.3 130.5 94.4 -3.4 103.7 92.5 60.7 179 291 A V - 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