==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 27-OCT-10 3IZG . COMPND 2 MOLECULE: MAJOR CAPSID PROTEIN 10A; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T7; . AUTHOR A.IONEL,J.A.VELAZQUEZ-MURIEL,X.AGIRREZABALA,D.LUQUE,A.CUERVO . 1722 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 870 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 9.1 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 . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 20 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 217 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 14 0 7 3 7 4 0 0 0 0 0 0 0 0 0 0 0 0 2 5 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 14 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 0 PARALLEL BRIDGES PER LADDER . 14 7 6 6 9 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 . 9 18 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 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 1 100 G L 0 0 122 0, 0.0 2,-0.4 0, 0.0 89,-0.2 0.000 360.0 360.0 360.0 -73.2 16.4 27.0 244.5 2 101 G T + 0 0 49 88,-0.1 2,-0.2 86,-0.1 85,-0.2 -0.757 360.0 155.5 -97.3 134.4 13.9 24.2 243.4 3 102 G A - 0 0 22 -2,-0.4 2,-0.3 83,-0.3 186,-0.1 -0.509 46.2 -60.4-131.9-158.3 10.8 23.4 245.4 4 103 G D - 0 0 22 -2,-0.2 2,-1.0 86,-0.1 3,-0.4 -0.744 38.5-130.3 -95.8 143.4 7.4 21.7 244.7 5 104 G V S S+ 0 0 44 -2,-0.3 85,-0.1 1,-0.2 173,-0.0 -0.802 70.9 103.7 -93.3 98.8 4.8 23.1 242.2 6 105 G L S > S+ 0 0 35 -2,-1.0 4,-1.5 141,-0.1 -1,-0.2 0.479 72.2 53.3-140.2 -41.5 1.5 23.3 244.2 7 106 G I H > S+ 0 0 13 -3,-0.4 4,-1.1 1,-0.2 -2,-0.1 0.825 105.3 58.8 -70.2 -32.7 0.9 26.9 245.1 8 107 G Y H 4 S+ 0 0 25 2,-0.2 -1,-0.2 1,-0.2 200,-0.2 0.883 106.0 48.2 -61.4 -41.8 1.3 27.9 241.4 9 108 G D H 4 S+ 0 0 110 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.912 114.0 43.1 -69.2 -47.3 -1.5 25.6 240.3 10 109 G I H < S+ 0 0 57 -4,-1.5 -1,-0.2 2,-0.1 192,-0.2 0.690 105.8 86.6 -70.8 -18.4 -4.1 26.7 242.9 11 110 G E S < S- 0 0 11 -4,-1.1 2,-0.2 -5,-0.2 196,-0.1 -0.539 89.2-107.4 -85.4 146.5 -3.0 30.3 242.2 12 111 G D - 0 0 43 194,-0.3 196,-2.6 -2,-0.2 2,-0.3 -0.531 39.8-170.5 -72.4 138.0 -4.4 32.5 239.5 13 112 G A E +a 208 0A 40 -2,-0.2 2,-0.3 194,-0.2 196,-0.2 -0.984 8.7 172.5-134.3 142.6 -2.1 33.0 236.5 14 113 G M E -a 209 0A 82 194,-2.2 196,-0.9 -2,-0.3 2,-0.4 -0.945 24.2-137.3-143.6 167.0 -2.2 35.3 233.5 15 114 G N + 0 0 89 -2,-0.3 2,-0.3 194,-0.2 8,-0.2 -0.813 29.2 155.3-132.3 92.0 -0.1 36.5 230.5 16 115 G H - 0 0 11 -2,-0.4 6,-0.7 6,-0.3 2,-0.3 -0.812 28.3-155.4 -94.0 154.1 -0.1 40.1 229.5 17 116 G Y B +C 21 0B 148 -2,-0.3 247,-0.2 247,-0.3 4,-0.1 -0.862 39.4 119.8-141.1 110.2 3.1 41.0 227.5 18 117 G D S S- 0 0 6 2,-1.0 246,-0.1 -2,-0.3 3,-0.1 0.369 87.5 -60.9-120.3-105.0 4.8 44.5 227.2 19 118 G V S S+ 0 0 63 1,-0.2 2,-0.2 244,-0.1 250,-0.0 0.598 124.0 48.7-115.7 -45.1 8.4 45.0 228.4 20 119 G R S S- 0 0 9 279,-0.1 -2,-1.0 1,-0.1 -1,-0.2 -0.588 100.1 -95.8 -89.0 160.1 7.8 44.1 232.1 21 120 G S B -CD 17 54B 25 33,-0.8 33,-0.7 218,-0.2 2,-0.3 -0.367 41.3-155.9 -79.0 157.9 5.9 41.0 233.1 22 121 G E + 0 0 1 -6,-0.7 188,-0.8 -8,-0.1 -6,-0.3 -0.913 14.7 173.9-143.5 164.1 2.2 40.9 233.9 23 122 G Y - 0 0 2 29,-0.3 29,-1.0 -2,-0.3 2,-0.4 -0.985 18.4-149.1-169.5 141.1 -0.6 39.1 235.8 24 123 G T E -E 51 0C 21 184,-0.4 2,-0.4 -2,-0.3 27,-0.3 -0.986 15.7-172.0-123.7 124.0 -4.3 39.0 236.9 25 124 G S E -E 50 0C 0 25,-1.3 25,-2.2 -2,-0.4 2,-1.2 -0.932 33.3-113.9-113.5 137.3 -5.5 37.3 240.2 26 125 G Q - 0 0 51 -2,-0.4 2,-4.0 23,-0.3 177,-0.8 -0.546 25.4-146.9 -71.2 96.5 -9.2 36.9 241.1 27 126 G L - 0 0 39 -2,-1.2 2,-0.2 176,-0.2 22,-0.2 -0.157 61.7 -69.1 -61.0 53.7 -9.4 39.2 244.1 28 127 G G - 0 0 7 -2,-4.0 2,-0.2 20,-0.2 174,-0.1 -0.578 67.3-132.5 83.1-159.8 -12.0 36.8 245.7 29 128 G E - 0 0 74 -2,-0.2 2,-0.4 18,-0.2 18,-0.2 -0.824 7.7-133.1 176.0 150.5 -15.4 36.6 244.0 30 129 G S + 0 0 52 16,-1.7 2,-0.3 -2,-0.2 16,-0.3 -0.957 26.6 179.5-114.4 136.0 -19.1 36.7 244.6 31 130 G L - 0 0 136 -2,-0.4 2,-0.2 14,-0.2 14,-0.1 -0.968 5.8-166.2-135.4 151.1 -21.4 34.1 243.0 32 131 G A - 0 0 45 -2,-0.3 2,-0.3 11,-0.0 11,-0.1 -0.728 7.5-140.4-129.3 177.6 -25.2 33.4 243.0 33 132 G M - 0 0 177 -2,-0.2 2,-0.3 9,-0.1 11,-0.2 -0.911 7.5-145.9-139.4 163.7 -27.7 30.7 242.1 34 133 G A - 0 0 51 -2,-0.3 2,-0.2 9,-0.1 6,-0.1 -0.830 7.7-137.8-129.9 166.9 -31.2 30.4 240.6 35 134 G A - 0 0 74 -2,-0.3 6,-0.4 4,-0.1 2,-0.1 -0.737 14.6-151.4-122.3 170.3 -34.4 28.2 240.9 36 135 G D + 0 0 125 -2,-0.2 2,-0.9 4,-0.1 3,-0.1 -0.224 55.8 96.7-126.5-148.9 -36.8 26.5 238.5 37 136 G G S S- 0 0 75 -2,-0.1 2,-0.1 1,-0.1 3,-0.1 -0.883 113.2 -21.3 92.2 -98.1 -40.4 25.2 237.9 38 137 G A S S+ 0 0 66 -2,-0.9 2,-0.2 1,-0.1 -1,-0.1 0.353 117.7 51.8 -82.2-128.5 -41.1 28.5 236.3 39 138 G V - 0 0 130 1,-0.2 -4,-0.1 -3,-0.1 -1,-0.1 -0.453 61.9-142.2-138.9 72.1 -39.7 31.4 236.5 40 139 G L - 0 0 138 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 0.307 16.2-154.0 -41.5 137.9 -35.9 31.8 236.0 41 140 G A - 0 0 64 -6,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.711 15.8-113.1-109.2 158.7 -33.9 34.3 238.1 42 141 G E - 0 0 169 -2,-0.2 2,-0.6 -8,-0.0 -9,-0.1 -0.696 25.6-121.7 -94.6 142.6 -30.6 36.2 237.4 43 142 G I - 0 0 87 -2,-0.3 2,-1.1 -11,-0.1 -9,-0.1 -0.727 14.6-148.0 -87.2 118.9 -27.4 35.5 239.3 44 143 G A + 0 0 84 -2,-0.6 2,-0.4 -11,-0.2 -11,-0.1 -0.754 39.5 152.4 -86.9 98.3 -25.9 38.6 241.1 45 144 G G - 0 0 36 -2,-1.1 2,-0.5 -14,-0.1 -14,-0.2 -0.993 34.9-167.9-138.4 133.6 -22.2 37.9 240.9 46 145 G L - 0 0 59 -2,-0.4 2,-2.0 -16,-0.3 -16,-1.7 -0.902 16.1-152.8-119.4 99.7 -19.0 40.0 240.8 47 146 G C - 0 0 81 -2,-0.5 -18,-0.2 -18,-0.2 -20,-0.1 -0.502 19.5-146.2 -73.9 80.2 -16.0 38.0 239.8 48 147 G N + 0 0 45 -2,-2.0 2,-0.2 -22,-0.2 -20,-0.2 -0.263 29.9 164.2 -50.5 122.5 -13.3 40.0 241.6 49 148 G V - 0 0 53 -23,-0.4 -23,-0.3 -22,-0.2 482,-0.1 -0.744 11.9-173.6-152.1 98.7 -10.1 39.9 239.5 50 149 G E E -E 25 0C 13 -25,-2.2 -25,-1.3 -2,-0.2 2,-0.3 -0.232 6.1-161.2 -83.7 173.8 -7.2 42.4 240.1 51 150 G S E +E 24 0C 15 -27,-0.3 -27,-0.2 251,-0.1 2,-0.1 -0.944 15.2 172.0-156.4 141.3 -3.9 42.9 238.1 52 151 G K - 0 0 90 -29,-1.0 2,-0.3 -2,-0.3 -29,-0.3 -0.181 22.4 -77.2-132.1-143.6 -0.7 44.7 239.2 53 152 G Y + 0 0 67 -31,-0.1 2,-0.2 -2,-0.1 -31,-0.1 -0.990 28.0 158.4-145.3 131.9 3.0 45.5 238.4 54 153 G N B +D 21 0B 14 -33,-0.7 -33,-0.8 -2,-0.3 2,-0.5 -0.765 4.7 170.5-153.1 112.1 6.6 44.3 238.4 55 154 G E + 0 0 64 -2,-0.2 2,-0.3 -35,-0.2 -35,-0.1 -0.974 29.8 113.0-116.3 123.8 9.7 45.5 236.5 56 155 G N S S- 0 0 85 -2,-0.5 2,-0.3 47,-0.1 -35,-0.1 -0.952 72.9 -66.3-171.2 163.9 13.2 44.2 237.3 57 156 G I S S- 0 0 80 -2,-0.3 3,-0.3 45,-0.2 180,-0.2 -0.500 73.8 -92.1 -60.6 121.1 16.0 42.1 235.8 58 157 G E - 0 0 70 -2,-0.3 180,-0.2 1,-0.2 -1,-0.1 -0.082 59.1 -79.1 -44.1 124.5 14.6 38.6 235.5 59 158 G G B -F 237 0D 26 178,-0.6 178,-1.5 177,-0.3 -1,-0.2 0.039 60.3-147.9 -35.4 101.9 15.3 36.6 238.7 60 159 G L + 0 0 82 -3,-0.3 176,-0.2 176,-0.2 -1,-0.1 -0.329 40.2 141.9 -82.7 155.7 19.0 35.5 238.2 61 160 G G - 0 0 31 174,-0.5 175,-0.1 -2,-0.1 -1,-0.0 0.022 34.8-150.9 171.3 67.8 20.7 32.4 239.3 62 161 G T - 0 0 77 172,-0.2 2,-0.4 1,-0.1 172,-0.3 -0.037 7.3-162.4 -57.6 146.0 23.3 31.0 236.9 63 162 G A E -G 233 0E 40 170,-2.9 170,-0.7 2,-0.0 2,-0.5 -0.956 10.2-154.3-131.5 113.4 24.2 27.3 236.6 64 163 G T E -G 232 0E 76 -2,-0.4 2,-0.4 168,-0.2 168,-0.2 -0.774 13.5-178.6 -99.3 123.6 27.4 26.5 234.7 65 164 G V E -G 231 0E 44 166,-0.6 166,-4.9 -2,-0.5 168,-0.1 -0.953 24.2-118.9-123.5 139.4 27.9 23.1 233.0 66 165 G I > - 0 0 54 -2,-0.4 4,-1.8 164,-0.3 164,-0.2 -0.376 16.2-125.6 -78.1 152.3 30.9 21.7 231.1 67 166 G E H > S+ 0 0 93 161,-0.4 4,-2.2 1,-0.2 5,-0.2 0.831 108.8 60.0 -61.7 -37.0 31.0 20.7 227.4 68 167 G T H > S+ 0 0 89 160,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.893 110.3 39.9 -61.9 -43.0 32.3 17.2 228.3 69 168 G T H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 7,-0.3 0.817 113.0 56.9 -73.5 -32.9 29.3 16.4 230.5 70 169 G Q H < S+ 0 0 51 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.6 35.5 -64.2 -35.0 27.1 18.1 227.9 71 170 G N H < S+ 0 0 119 -4,-2.2 -2,-0.2 -5,-0.1 3,-0.2 0.803 116.0 53.5 -87.0 -35.2 28.5 15.7 225.3 72 171 G K H < S+ 0 0 173 -4,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.915 124.2 24.5 -65.3 -45.8 28.8 12.7 227.6 73 172 G A < - 0 0 31 -4,-2.5 -1,-0.3 -5,-0.1 4,-0.2 -0.983 60.5-174.0-124.2 119.2 25.1 13.0 228.6 74 173 G A S >> S+ 0 0 62 -2,-0.5 3,-0.8 -3,-0.2 4,-0.7 0.760 86.2 61.6 -76.8 -26.6 22.6 14.7 226.3 75 174 G L H 3> S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.762 82.7 77.8 -71.8 -28.1 19.9 14.5 228.9 76 175 G T H 3> S+ 0 0 48 -7,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.693 95.2 49.7 -59.8 -21.7 21.8 16.6 231.5 77 176 G D H <> S+ 0 0 34 -3,-0.8 4,-3.3 -4,-0.2 -1,-0.2 0.931 113.0 42.9 -79.1 -52.0 20.7 19.8 229.6 78 177 G Q H X S+ 0 0 106 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.805 116.1 49.9 -65.3 -32.5 17.0 19.0 229.3 79 178 G V H < S+ 0 0 94 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.907 112.3 46.9 -70.1 -44.7 16.9 17.8 232.9 80 179 G A H >X S+ 0 0 24 -4,-1.1 4,-3.2 -5,-0.3 3,-1.3 0.948 114.6 46.8 -59.3 -50.7 18.7 21.0 234.1 81 180 G L H 3X S+ 0 0 31 -4,-3.3 4,-1.4 1,-0.3 -2,-0.2 0.865 113.5 49.9 -54.5 -40.5 16.2 23.0 231.9 82 181 G G H 3< S+ 0 0 42 -4,-1.8 -1,-0.3 -5,-0.2 4,-0.3 0.481 115.5 43.5 -79.4 -5.2 13.5 20.9 233.5 83 182 G K H <> S+ 0 0 104 -3,-1.3 4,-2.1 -4,-0.4 -2,-0.2 0.778 112.1 47.9-103.4 -45.2 14.8 21.6 237.0 84 183 G E H X S+ 0 0 10 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.783 105.4 60.7 -70.4 -29.6 15.5 25.3 236.8 85 184 G I H X S+ 0 0 42 -4,-1.4 4,-1.4 -5,-0.3 129,-0.3 0.972 110.3 41.3 -54.5 -55.5 12.1 26.0 235.3 86 185 G I H > S+ 0 0 51 -4,-0.3 4,-1.2 1,-0.2 -83,-0.3 0.879 108.5 64.0 -58.6 -41.9 10.6 24.6 238.4 87 186 G A H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.3 3,-0.4 0.918 113.4 30.2 -50.4 -55.3 13.2 26.4 240.5 88 187 G A H < S+ 0 0 11 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.582 116.0 60.5 -85.2 -11.8 12.0 29.9 239.5 89 188 G L H X S+ 0 0 26 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.538 114.4 37.4 -82.8 -11.5 8.4 28.6 239.1 90 189 G T H X S+ 0 0 3 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.625 111.9 54.4-106.3 -29.4 8.7 27.7 242.8 91 190 G K H X S+ 0 0 89 -4,-2.0 4,-2.5 -5,-0.3 9,-0.3 0.700 110.8 54.5 -64.7 -24.2 10.7 30.8 243.5 92 191 G A H > S+ 0 0 3 -6,-0.3 4,-0.9 2,-0.2 5,-0.4 0.972 107.1 42.3 -63.9 -80.4 7.6 32.0 241.9 93 192 G R H X S+ 0 0 4 -4,-1.4 4,-1.7 1,-0.2 3,-0.4 0.790 119.5 49.3 -35.1 -42.1 5.1 30.4 244.2 94 193 G A H >X S+ 0 0 8 -4,-2.3 4,-1.5 2,-0.2 3,-0.6 0.982 115.2 39.4 -62.9 -61.3 7.4 31.5 247.0 95 194 G A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 5,-0.3 -2,-0.2 0.269 115.2 58.0 -75.5 13.6 7.7 35.1 245.8 96 195 G L H 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.628 120.8 24.6-104.8 -31.6 4.0 34.7 245.0 97 196 G T H << S- 0 0 9 -4,-1.7 19,-0.2 -3,-0.6 -2,-0.2 0.892 141.4 -46.6 -88.7 -75.7 3.2 33.9 248.7 98 197 G K S < S+ 0 0 5 -4,-1.5 -3,-0.2 -5,-0.2 2,-0.1 -0.551 98.9 80.7-162.8 105.2 6.1 35.6 250.5 99 198 G N S S- 0 0 32 -2,-0.1 2,-0.6 -7,-0.1 6,-0.1 -0.285 83.2 -11.5-158.1-114.7 9.8 35.2 249.4 100 199 G Y - 0 0 146 -9,-0.3 -5,-0.3 -2,-0.1 4,-0.1 -0.812 51.3-173.7-120.1 92.1 12.0 36.9 246.8 101 200 G V - 0 0 9 -2,-0.6 4,-0.3 2,-0.3 141,-0.1 -0.494 42.1-110.7 -71.4 145.9 10.4 39.1 244.1 102 201 G P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -45,-0.2 0.903 112.8 66.0 -40.6 -48.2 12.7 40.3 241.3 103 202 G A S S- 0 0 35 -47,-0.1 -2,-0.3 1,-0.1 2,-0.2 -0.656 114.8 -92.5 -75.6 134.8 12.1 43.7 243.0 104 203 G A - 0 0 107 -2,-0.3 2,-0.2 -4,-0.1 -1,-0.1 -0.289 52.5-178.6 -59.2 112.2 13.7 43.8 246.5 105 204 G D - 0 0 56 -4,-0.3 2,-0.2 -2,-0.2 -1,-0.0 -0.667 37.0 -84.3-104.7 164.2 11.1 42.7 249.1 106 205 G R - 0 0 180 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.501 47.2-111.4 -67.5 131.3 11.4 42.4 252.9 107 206 G V - 0 0 105 -2,-0.2 2,-0.2 -7,-0.0 -1,-0.1 -0.526 47.5-164.1 -65.6 121.6 12.9 39.1 254.0 108 207 G F - 0 0 43 -2,-0.4 -10,-0.1 1,-0.2 3,-0.0 -0.688 20.2-141.0-118.1 164.0 10.0 37.3 255.8 109 208 G Y + 0 0 149 -2,-0.2 84,-0.4 1,-0.1 -1,-0.2 0.791 64.0 8.4 -84.7-108.2 9.3 34.4 258.1 110 209 G C S S- 0 0 1 7,-0.2 84,-0.2 1,-0.2 -1,-0.1 -0.004 85.0 -76.3 -77.5 175.8 6.4 32.0 257.8 111 210 G D - 0 0 1 82,-1.7 85,-0.3 38,-0.3 6,-0.2 -0.463 63.0 -86.6 -69.8 144.8 3.7 31.4 255.2 112 211 G P - 0 0 1 0, 0.0 4,-0.2 0, 0.0 87,-0.2 -0.181 29.0-150.8 -52.4 140.5 0.8 34.0 255.1 113 212 G D S S- 0 0 31 2,-0.8 86,-1.4 85,-0.2 3,-0.2 0.952 90.4 -31.9 -72.1 -88.3 -2.2 33.4 257.4 114 213 G S S S- 0 0 69 1,-0.7 2,-0.3 84,-0.2 91,-0.2 0.542 146.7 -17.0 -93.6 -27.1 -5.0 35.0 255.4 115 214 G Y S S- 0 0 123 -4,-0.1 -2,-0.8 89,-0.1 -1,-0.7 -0.883 111.4 -49.3-165.3 159.3 -2.0 37.2 254.4 116 215 G S + 0 0 17 130,-0.7 2,-0.2 -2,-0.3 130,-0.1 0.043 64.6 172.7 -42.6 121.0 1.5 37.6 256.0 117 216 G A - 0 0 37 -6,-0.2 -7,-0.2 1,-0.1 2,-0.1 -0.755 40.0 -71.5-123.2 171.3 1.2 38.3 259.8 118 217 G I - 0 0 153 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.391 54.0-107.2 -67.3 137.1 3.7 38.6 262.7 119 218 G L - 0 0 69 -2,-0.1 2,-0.3 76,-0.0 -1,-0.1 -0.490 43.2-174.3 -68.5 127.6 5.4 35.3 263.8 120 219 G A - 0 0 46 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.827 29.7 -95.3-122.7 160.8 4.1 34.1 267.2 121 220 G A - 0 0 105 -2,-0.3 2,-0.4 6,-0.0 74,-0.0 -0.583 36.9-141.2 -77.1 134.0 5.0 31.3 269.6 122 221 G L - 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0 0 31 -4,-2.5 -1,-0.3 -5,-0.1 4,-0.2 -0.983 60.0-174.6-125.3 118.9 39.2 104.4 188.3 1062 173 D A S >> S+ 0 0 62 -2,-0.5 3,-0.8 -3,-0.2 4,-0.7 0.756 86.1 62.0 -76.9 -26.3 36.6 105.3 185.8 1063 174 D L H 3> S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.767 82.9 77.2 -71.5 -28.7 33.9 105.0 188.4 1064 175 D T H 3> S+ 0 0 47 -7,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.702 95.0 50.3 -59.6 -22.7 35.2 107.7 190.7 1065 176 D D H <> S+ 0 0 36 -3,-0.8 4,-3.3 -4,-0.2 -1,-0.2 0.936 112.8 42.6 -77.8 -52.0 33.8 110.4 188.4 1066 177 D Q H X S+ 0 0 103 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.802 116.3 50.0 -66.0 -32.1 30.2 109.0 188.2 1067 178 D V H < S+ 0 0 95 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.909 112.4 46.8 -70.1 -45.0 30.3 108.3 191.9 1068 179 D A H >X S+ 0 0 25 -4,-1.2 4,-3.2 -5,-0.3 3,-1.3 0.952 114.9 46.5 -59.1 -51.7 31.4 111.8 192.6 1069 180 D L H 3X S+ 0 0 28 -4,-3.3 4,-1.3 1,-0.3 -2,-0.2 0.864 113.7 50.1 -54.2 -40.4 28.8 113.1 190.2 1070 181 D G H 3< S+ 0 0 42 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.485 115.6 43.2 -79.2 -5.5 26.3 110.8 192.0 1071 182 D K H <> S+ 0 0 104 -3,-1.3 4,-2.0 -4,-0.5 -2,-0.2 0.778 112.1 48.3-103.6 -45.2 27.4 112.1 195.4 1072 183 D E H X S+ 0 0 10 -4,-3.2 4,-2.0 2,-0.2 5,-0.2 0.778 105.2 61.0 -70.3 -29.1 27.6 115.9 194.7 1073 184 D I H X S+ 0 0 40 -4,-1.3 4,-1.4 -5,-0.3 129,-0.3 0.973 109.9 41.6 -54.6 -55.8 24.1 115.8 193.1 1074 185 D I H > S+ 0 0 52 -4,-0.3 4,-1.3 1,-0.2 -83,-0.3 0.878 108.3 64.0 -58.3 -41.9 22.7 114.5 196.4 1075 186 D A H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.3 3,-0.3 0.917 113.7 29.8 -50.3 -55.0 24.9 117.0 198.3 1076 187 D A H < S+ 0 0 12 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.563 115.9 60.8 -86.6 -10.6 23.2 120.1 196.8 1077 188 D L H X S+ 0 0 26 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.562 114.3 37.5 -82.5 -13.6 19.9 118.2 196.5 1078 189 D T H X S+ 0 0 3 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.639 112.1 54.3-104.1 -29.4 20.2 117.9 200.3 1079 190 D K H X S+ 0 0 85 -4,-1.9 4,-2.3 -5,-0.3 9,-0.3 0.696 110.9 53.6 -65.5 -23.8 21.6 121.4 200.5 1080 191 D A H > S+ 0 0 3 -6,-0.3 4,-0.8 2,-0.2 5,-0.3 0.970 108.2 42.2 -64.9 -79.1 18.4 121.9 198.6 1081 192 D R H >X S+ 0 0 4 -4,-1.5 4,-1.7 1,-0.3 3,-0.6 0.801 119.4 49.0 -35.1 -43.8 16.1 120.1 201.2 1082 193 D A H >X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.969 114.6 40.8 -63.6 -57.4 18.1 122.0 203.8 1083 194 D A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.3 -2,-0.2 0.261 114.9 56.9 -77.2 14.2 17.9 125.4 202.1 1084 195 D L H << S+ 0 0 0 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.607 121.9 24.0-107.3 -29.7 14.3 124.3 201.5 1085 196 D T H << S- 0 0 9 -4,-1.7 19,-0.2 -3,-0.5 -2,-0.2 0.876 141.0 -46.5 -91.9 -73.7 13.6 123.8 205.2 1086 197 D K S < S+ 0 0 6 -4,-1.6 -3,-0.3 -5,-0.2 2,-0.1 -0.494 98.5 80.5-164.5 102.8 16.2 126.0 206.8 1087 198 D N S S- 0 0 34 -2,-0.1 2,-0.6 -7,-0.1 6,-0.1 -0.244 83.6 -12.6-155.2-113.2 19.9 126.2 205.8 1088 199 D Y - 0 0 145 -9,-0.3 -5,-0.3 -2,-0.1 4,-0.1 -0.826 50.9-172.4-121.0 94.0 21.9 127.9 203.0 1089 200 D V - 0 0 11 -2,-0.6 4,-0.3 2,-0.3 141,-0.1 -0.507 41.4-111.2 -71.9 145.3 20.0 129.4 200.1 1090 201 D P S S+ 0 0 31 0, 0.0 2,-0.4 0, 0.0 -45,-0.2 0.890 113.1 65.6 -40.9 -46.5 22.2 130.7 197.2 1091 202 D A S S- 0 0 34 -47,-0.1 -2,-0.3 1,-0.1 2,-0.2 -0.697 114.9 -93.4 -77.9 133.6 21.0 134.1 198.4 1092 203 D A - 0 0 107 -2,-0.4 2,-0.2 -4,-0.1 -1,-0.1 -0.276 51.7-178.3 -58.8 113.3 22.4 134.8 201.8 1093 204 D D - 0 0 55 -4,-0.3 2,-0.2 -2,-0.2 -1,-0.0 -0.652 37.2 -83.4-104.3 165.6 19.9 133.8 204.6 1094 205 D R - 0 0 181 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.516 47.8-111.3 -68.2 131.3 20.2 134.0 208.4 1095 206 D V - 0 0 104 -2,-0.2 2,-0.2 -7,-0.0 -1,-0.1 -0.524 47.5-163.8 -65.4 121.4 22.1 131.1 209.9 1096 207 D F - 0 0 49 -2,-0.4 -10,-0.1 1,-0.2 3,-0.0 -0.680 20.1-141.3-117.6 164.3 19.5 129.1 211.9 1097 208 D Y + 0 0 150 -2,-0.2 84,-0.4 1,-0.1 -1,-0.2 0.789 63.9 8.3 -85.2-108.0 19.3 126.5 214.6 1098 209 D C S S- 0 0 0 7,-0.2 84,-0.2 1,-0.2 -1,-0.1 -0.002 84.8 -76.3 -77.7 176.0 16.8 123.6 214.6 1099 210 D D - 0 0 1 82,-1.7 85,-0.3 38,-0.3 6,-0.2 -0.458 63.2 -85.5 -70.1 145.9 14.3 122.3 212.1 1100 211 D P - 0 0 1 0, 0.0 4,-0.2 0, 0.0 87,-0.2 -0.178 28.9-150.3 -52.2 140.5 11.0 124.3 211.6 1101 212 D D S S- 0 0 34 2,-0.9 86,-1.3 85,-0.2 3,-0.2 0.949 90.9 -32.8 -71.2 -88.9 8.1 123.5 214.0 1102 213 D S S S- 0 0 55 1,-0.7 2,-0.3 84,-0.2 87,-0.3 0.533 146.6 -16.7 -93.3 -26.5 5.2 124.3 211.7 1103 214 D Y S S- 0 0 121 -4,-0.1 -2,-0.9 85,-0.1 -1,-0.7 -0.891 111.4 -49.1-164.6 160.9 7.8 126.8 210.5 1104 215 D S + 0 0 17 130,-0.9 2,-0.2 -2,-0.3 130,-0.1 0.013 64.2 171.6 -43.6 121.4 11.1 128.1 212.0 1105 216 D A - 0 0 36 -6,-0.2 -7,-0.2 1,-0.1 2,-0.1 -0.757 40.8 -70.6-123.8 172.0 10.6 129.2 215.7 1106 217 D I - 0 0 153 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.391 54.3-107.1 -67.3 137.6 12.9 130.3 218.5 1107 218 D L - 0 0 71 -2,-0.1 2,-0.3 76,-0.0 -1,-0.1 -0.503 43.5-174.4 -69.0 126.6 15.1 127.5 220.0 1108 219 D A - 0 0 49 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 -0.814 29.8 -95.2-121.7 161.2 13.9 126.5 223.5 1109 220 D A - 0 0 103 -2,-0.3 2,-0.4 6,-0.0 74,-0.0 -0.590 36.8-141.1 -77.5 133.6 15.1 124.2 226.3 1110 221 D L - 0 0 44 -2,-0.3 5,-0.0 2,-0.1 -1,-0.0 -0.781 9.1-132.7-100.2 140.9 13.6 120.7 226.3 1111 222 D M S S+ 0 0 177 -2,-0.4 -1,-0.1 2,-0.0 4,-0.1 0.927 87.8 58.1 -59.4 -55.3 12.7 118.9 229.6 1112 223 D P S S- 0 0 24 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 -0.366 98.5-105.1 -74.7 163.0 14.3 115.5 228.8 1113 224 D N S S+ 0 0 145 2,-0.1 2,-0.2 32,-0.1 -3,-0.1 0.876 106.9 39.3 -55.6 -46.5 18.1 115.2 228.0 1114 225 D A S S- 0 0 2 36,-0.4 2,-0.3 31,-0.2 29,-0.1 -0.560 110.6 -80.7 -94.8 167.3 17.5 114.7 224.3 1115 226 D A + 0 0 1 -2,-0.2 68,-0.1 67,-0.2 -1,-0.1 -0.556 69.6 170.8 -73.0 134.6 14.8 116.5 222.2 1116 227 D N > - 0 0 4 -2,-0.3 3,-2.2 -4,-0.1 69,-0.3 -0.007 29.8 -4.5-127.7-149.5 11.5 114.7 222.8 1117 228 D Y T >> S+ 0 0 132 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.491 98.0 86.4 -35.7 -25.3 7.7 114.1 222.7 1118 229 D A H 3> S+ 0 0 13 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.688 82.1 72.6 -50.4 -17.0 7.0 117.5 221.0 1119 230 D A H X4 S+ 0 0 0 -3,-2.2 3,-0.8 2,-0.2 5,-0.3 0.968 95.4 42.9 -56.6 -59.7 7.8 115.1 218.1 1120 231 D L H <4 S+ 0 0 29 -3,-1.0 4,-0.4 1,-0.2 -2,-0.2 0.853 112.8 52.1 -62.4 -39.9 4.5 113.2 218.3 1121 232 D I H 3X S+ 0 0 67 -4,-1.3 4,-0.8 3,-0.1 -1,-0.2 0.680 101.3 65.1 -71.7 -19.7 2.3 116.2 218.8 1122 233 D D H XX S+ 0 0 22 -3,-0.8 4,-1.3 -4,-0.8 3,-0.9 0.988 107.4 31.5 -77.0 -64.2 3.7 118.0 215.7 1123 234 D P H 34 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.598 118.7 61.8 -67.5 -5.8 2.7 116.0 212.6 1124 235 D E H >4 S+ 0 0 3 -4,-0.4 3,-1.1 -5,-0.3 -2,-0.3 0.696 97.6 52.5 -84.4 -28.0 -0.3 115.2 214.9 1125 236 D K H X< S+ 0 0 111 -3,-0.9 3,-0.7 -4,-0.8 5,-0.3 0.748 106.8 55.2 -69.7 -27.6 -1.0 119.0 214.8 1126 237 D G T 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 -0.014 86.4 82.4 -89.2 25.5 -0.7 118.2 211.1 1127 238 D S T < S+ 0 0 1 -3,-1.1 -1,-0.2 -5,-0.1 -196,-0.2 0.238 82.7 68.8-106.0 6.0 -3.4 115.6 211.7 1128 239 D I S < S- 0 0 31 -3,-0.7 -197,-0.2 3,-0.1 -2,-0.1 0.657 126.4 -16.4 -82.8-117.8 -6.0 118.3 211.4 1129 240 D R S S+ 0 0 143 -4,-0.2 -386,-0.5 -387,-0.1 -3,-0.1 0.870 128.6 76.4 -47.3 -42.4 -6.5 119.9 207.9 1130 241 D N S S- 0 0 33 -5,-0.3 2,-0.3 1,-0.1 59,-0.0 -0.163 86.6-109.8 -82.9 161.5 -3.2 118.3 206.9 1131 242 D V - 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