==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-MAR-12 4EDT . COMPND 2 MOLECULE: DNA PRIMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.U.RYMER,F.A.SOLORIO,C.CHU,J.E.CORN,J.D.WANG,J.M.BERGER . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 0 0 2 2 3 1 3 2 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 108 A S > 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 164.5 53.6 62.5 -20.9 2 109 A N H > + 0 0 142 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 360.0 54.8 -61.7 -34.9 50.7 65.1 -20.9 3 110 A A H > S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 109.8 45.2 -65.4 -41.6 48.5 62.4 -19.5 4 111 A D H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.877 109.8 55.4 -69.0 -37.3 50.8 61.7 -16.6 5 112 A D H X S+ 0 0 42 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.914 107.3 50.5 -60.2 -43.4 51.2 65.5 -16.0 6 113 A L H X S+ 0 0 79 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.887 107.6 52.5 -62.2 -43.1 47.4 65.7 -15.7 7 114 A Q H X S+ 0 0 68 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.894 108.6 51.3 -57.6 -42.5 47.3 62.9 -13.1 8 115 A M H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.877 110.0 48.6 -65.1 -39.2 49.9 64.6 -11.0 9 116 A I H X S+ 0 0 19 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.929 109.6 52.8 -65.0 -45.8 47.9 67.8 -11.1 10 117 A E H X S+ 0 0 60 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.907 106.1 53.9 -54.3 -46.0 44.8 65.9 -10.1 11 118 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.929 111.5 45.4 -53.9 -48.3 46.7 64.4 -7.1 12 119 A H H X S+ 0 0 0 -4,-1.8 4,-1.4 97,-0.2 -2,-0.2 0.901 114.4 47.3 -62.4 -43.3 47.6 67.9 -6.0 13 120 A E H X S+ 0 0 51 -4,-2.8 4,-0.7 96,-0.3 -2,-0.2 0.841 114.6 46.1 -73.7 -30.1 44.1 69.3 -6.5 14 121 A L H >X S+ 0 0 52 -4,-2.7 4,-1.0 -5,-0.2 3,-0.7 0.915 111.5 49.0 -77.2 -44.1 42.4 66.4 -4.7 15 122 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.817 100.3 69.2 -66.4 -26.0 44.7 66.2 -1.7 16 123 A Q H 3X S+ 0 0 36 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.885 96.3 52.3 -56.6 -41.0 44.3 70.0 -1.3 17 124 A E H S+ 0 0 130 -4,-1.9 4,-2.4 1,-0.2 5,-1.0 0.913 110.4 54.8 -62.4 -43.0 39.6 70.0 6.0 22 129 A A H X5S+ 0 0 3 -4,-2.4 4,-0.6 3,-0.2 7,-0.5 0.909 114.4 40.0 -56.2 -44.7 42.5 68.8 8.2 23 130 A L H <5S+ 0 0 1 -4,-2.2 10,-0.2 1,-0.1 -2,-0.2 0.938 123.3 35.7 -69.9 -48.7 43.5 72.4 9.0 24 131 A T H <5S+ 0 0 34 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.735 131.0 19.5 -85.7 -23.3 40.1 74.0 9.4 25 132 A K H <5S+ 0 0 153 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.709 96.6 87.9-120.7 -31.1 38.0 71.2 11.0 26 133 A T << - 0 0 41 -5,-1.0 4,-0.4 -4,-0.6 3,-0.2 -0.393 69.8-125.0 -88.2 158.2 40.1 68.4 12.7 27 134 A V S > S+ 0 0 116 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.933 110.6 52.5 -59.9 -47.7 41.6 68.1 16.2 28 135 A E T 3 S+ 0 0 79 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.809 105.9 55.3 -62.1 -29.9 45.1 67.6 15.0 29 136 A G T 3> S+ 0 0 0 -7,-0.5 4,-2.4 -3,-0.2 -1,-0.3 0.546 81.6 94.0 -79.1 -5.7 45.0 70.8 12.8 30 137 A E H <> S+ 0 0 112 -3,-1.7 4,-2.5 -4,-0.4 -1,-0.2 0.861 82.7 47.8 -61.1 -42.5 44.0 73.1 15.7 31 138 A Q H > S+ 0 0 122 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.915 113.2 48.4 -65.9 -42.9 47.4 74.3 16.7 32 139 A A H > S+ 0 0 0 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.908 110.9 51.7 -62.6 -40.1 48.4 75.1 13.1 33 140 A L H X S+ 0 0 29 -4,-2.4 4,-2.4 -10,-0.2 -2,-0.2 0.936 109.5 49.3 -62.7 -45.5 45.1 76.9 12.6 34 141 A T H X S+ 0 0 69 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.923 108.4 54.3 -58.0 -44.4 45.7 79.0 15.7 35 142 A Y H X S+ 0 0 59 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.906 110.4 45.6 -56.2 -46.5 49.2 79.8 14.5 36 143 A L H ><>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 3,-0.5 0.910 112.0 51.3 -63.4 -44.1 47.9 81.1 11.2 37 144 A Q H ><5S+ 0 0 77 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.893 108.4 51.0 -63.4 -39.9 45.1 83.1 12.8 38 145 A E H 3<5S+ 0 0 159 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.692 105.9 58.0 -69.7 -17.6 47.6 84.8 15.2 39 146 A R T <<5S- 0 0 67 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.202 130.1 -95.3 -97.7 14.2 49.6 85.7 12.2 40 147 A G T < 5S+ 0 0 45 -3,-1.6 2,-0.7 1,-0.3 -3,-0.2 0.419 75.8 144.3 94.5 -0.3 46.7 87.6 10.7 41 148 A F < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.622 35.2-155.2 -75.9 113.8 45.2 84.9 8.4 42 149 A T > - 0 0 82 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.361 30.3-108.9 -77.2 166.6 41.4 85.2 8.5 43 150 A D H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 122.3 54.8 -61.8 -35.9 39.2 82.2 7.7 44 151 A A H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.900 108.6 45.6 -63.5 -43.5 38.4 84.0 4.4 45 152 A L H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 6,-0.2 0.871 111.0 53.2 -70.3 -37.6 42.1 84.3 3.4 46 153 A I H X>S+ 0 0 2 -4,-2.2 5,-1.9 2,-0.2 4,-0.6 0.915 114.1 42.7 -60.7 -43.4 42.8 80.7 4.4 47 154 A K H <5S+ 0 0 147 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.917 112.4 53.7 -69.4 -43.1 39.9 79.6 2.2 48 155 A E H <5S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.2 37.3 -58.2 -46.3 40.9 81.9 -0.6 49 156 A R H <5S- 0 0 28 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.515 106.6-127.1 -84.6 -5.8 44.5 80.6 -0.7 50 157 A G T <5 + 0 0 10 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.812 42.1 179.2 65.0 31.2 43.3 77.0 -0.1 51 158 A I < + 0 0 0 -5,-1.9 49,-0.2 -6,-0.2 2,-0.2 -0.384 4.8 165.7 -70.3 140.6 45.8 76.7 2.8 52 159 A G E -A 99 0A 0 47,-2.3 47,-2.5 -29,-0.1 2,-0.4 -0.645 31.0-107.3-139.4-163.9 45.7 73.4 4.6 53 160 A F E -A 98 0A 0 -34,-1.7 45,-0.2 45,-0.3 -31,-0.2 -1.000 12.6-146.2-140.9 130.3 47.6 71.1 7.1 54 161 A A E -A 97 0A 0 43,-3.0 42,-1.1 -2,-0.4 43,-1.0 -0.902 27.9-133.4 -96.1 115.9 49.5 67.9 6.6 55 162 A P - 0 0 9 0, 0.0 41,-0.8 0, 0.0 3,-0.4 -0.073 15.9-117.3 -60.9 168.6 49.0 65.6 9.6 56 163 A D S S+ 0 0 98 39,-0.3 39,-0.1 1,-0.2 -2,-0.0 0.336 86.0 101.1 -95.0 7.4 52.1 63.9 11.1 57 164 A S S S- 0 0 44 1,-0.1 -1,-0.2 2,-0.0 38,-0.1 0.773 77.6-137.5 -65.3 -27.5 51.1 60.3 10.5 58 165 A S S S+ 0 0 42 -3,-0.4 34,-2.5 36,-0.2 -1,-0.1 0.394 92.9 60.3 80.0 1.7 53.4 59.9 7.5 59 166 A H > + 0 0 91 32,-0.2 4,-2.5 3,-0.1 5,-0.2 0.205 67.9 102.2-139.5 17.1 50.8 58.0 5.5 60 167 A F H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.966 93.5 33.3 -64.4 -55.6 47.9 60.5 5.3 61 168 A C H > S+ 0 0 0 33,-0.2 4,-2.6 2,-0.2 5,-0.3 0.903 118.8 55.8 -67.7 -41.1 48.6 61.5 1.6 62 169 A H H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.950 109.5 43.3 -54.9 -54.6 49.8 58.1 0.8 63 170 A D H X S+ 0 0 70 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.879 113.8 52.7 -63.6 -38.9 46.6 56.2 1.9 64 171 A F H X S+ 0 0 27 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.955 111.8 43.4 -59.7 -52.9 44.4 58.9 0.3 65 172 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.3 0.865 114.6 51.5 -64.7 -35.7 46.0 58.7 -3.2 66 173 A Q H ><5S+ 0 0 106 -4,-2.2 3,-1.4 -5,-0.3 -1,-0.2 0.935 108.9 50.2 -64.4 -46.7 46.1 54.9 -2.9 67 174 A K H 3<5S+ 0 0 180 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.846 107.8 53.9 -59.9 -36.8 42.4 54.8 -2.1 68 175 A K T 3<5S- 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.480 121.3-109.4 -79.4 -3.8 41.6 57.0 -5.1 69 176 A G T < 5 + 0 0 62 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.669 63.8 152.5 88.3 17.7 43.5 54.6 -7.3 70 177 A Y < - 0 0 28 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.3 -0.541 53.7-105.8 -79.3 147.8 46.5 56.6 -8.1 71 178 A D > - 0 0 92 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.630 25.3-145.3 -71.5 123.1 49.8 54.9 -8.9 72 179 A I H > S+ 0 0 26 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.864 97.3 53.9 -61.6 -39.8 52.1 55.3 -5.9 73 180 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 108.2 50.6 -62.8 -37.7 55.3 55.5 -7.9 74 181 A L H > S+ 0 0 16 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 106.5 55.0 -67.4 -34.8 53.7 58.4 -10.0 75 182 A A H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 6,-0.9 0.868 107.6 50.4 -65.6 -36.9 52.8 60.1 -6.7 76 183 A Y H ><5S+ 0 0 82 -4,-1.9 3,-1.8 4,-0.2 -2,-0.2 0.932 109.9 48.9 -61.7 -47.7 56.4 59.9 -5.7 77 184 A E H 3<5S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.805 105.0 60.0 -63.6 -28.1 57.4 61.4 -9.1 78 185 A A T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.474 116.5-117.8 -78.4 -2.4 54.8 64.1 -8.5 79 186 A G T < 5S+ 0 0 2 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.616 87.9 108.8 78.3 14.2 56.8 65.0 -5.3 80 187 A L S - 0 0 58 5,-3.0 4,-1.3 -2,-0.4 5,-0.2 -0.628 14.7-150.3 -72.8 119.1 62.8 54.7 1.7 85 192 A E T 4 S+ 0 0 107 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.074 89.6 51.1 -81.4 26.8 66.0 53.7 -0.1 86 193 A E T 4 S+ 0 0 87 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.637 124.5 15.2-123.2 -57.2 66.2 50.5 2.0 87 194 A N T 4 S- 0 0 108 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.288 96.4-121.5-104.9 7.2 62.9 48.7 1.8 88 195 A F < + 0 0 65 -4,-1.3 -3,-0.1 1,-0.2 2,-0.1 0.704 61.6 150.5 59.2 22.9 61.6 50.7 -1.2 89 196 A S - 0 0 57 -5,-0.2 -5,-3.0 -6,-0.0 2,-0.3 -0.429 38.5-133.1 -81.4 158.8 58.6 51.8 0.8 90 197 A Y E +D 83 0B 49 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.856 27.6 163.8-113.9 151.2 56.7 55.1 0.3 91 198 A Y E -D 82 0B 85 -9,-2.1 -9,-3.6 -2,-0.3 -32,-0.2 -0.957 45.4 -65.8-156.1 168.0 55.6 57.7 2.8 92 199 A D E -D 81 0B 0 -34,-2.5 -11,-0.2 -2,-0.3 -12,-0.1 -0.364 27.7-159.6 -64.2 131.3 54.4 61.3 3.0 93 200 A R S S+ 0 0 61 -13,-1.8 2,-0.6 1,-0.2 -1,-0.2 0.841 84.1 58.8 -71.8 -35.8 57.0 64.0 2.1 94 201 A F + 0 0 0 -14,-0.6 2,-0.4 3,-0.0 -33,-0.2 -0.866 68.5 166.7-104.3 116.1 54.9 66.6 3.9 95 202 A R - 0 0 103 -2,-0.6 -39,-0.3 1,-0.1 3,-0.1 -0.992 63.2 -8.5-136.5 129.2 54.4 65.9 7.7 96 203 A N S S+ 0 0 42 -42,-1.1 21,-0.4 -41,-0.8 2,-0.3 0.881 99.9 128.0 54.0 44.5 53.1 68.2 10.4 97 204 A R E -A 54 0A 22 -43,-1.0 -43,-3.0 -42,-0.2 2,-0.5 -0.943 67.6-112.9-130.6 151.3 53.2 71.3 8.1 98 205 A I E -AB 53 115A 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.7 -0.721 41.1-137.4 -77.9 124.2 51.0 74.1 7.0 99 206 A M E -AB 52 114A 1 -47,-2.5 -47,-2.3 -2,-0.5 15,-0.2 -0.776 21.0-173.5-100.8 112.7 50.4 73.5 3.3 100 207 A F E - B 0 113A 1 13,-2.7 13,-2.4 -2,-0.7 -49,-0.1 -0.896 25.1-130.8-101.7 115.9 50.4 76.4 0.9 101 208 A P E - B 0 112A 6 0, 0.0 2,-0.6 0, 0.0 11,-0.2 -0.398 12.5-147.7 -64.6 139.6 49.4 75.3 -2.7 102 209 A L E - B 0 111A 0 9,-2.8 8,-2.6 -2,-0.1 9,-1.1 -0.941 16.0-160.8-111.0 111.5 51.7 76.5 -5.4 103 210 A K E - B 0 109A 97 -2,-0.6 6,-0.3 6,-0.2 38,-0.2 -0.707 10.2-131.6 -94.8 141.7 49.8 77.2 -8.6 104 211 A N > - 0 0 30 4,-2.9 3,-1.9 -2,-0.3 39,-0.3 -0.067 44.8 -79.9 -75.1-173.1 51.4 77.3 -12.1 105 212 A A T 3 S+ 0 0 32 1,-0.3 41,-0.1 2,-0.1 -1,-0.1 0.736 132.2 52.3 -64.1 -23.6 50.8 80.1 -14.6 106 213 A Q T 3 S- 0 0 138 2,-0.1 -1,-0.3 37,-0.0 -2,-0.0 0.339 121.1-105.9 -95.0 5.4 47.4 78.6 -15.6 107 214 A G S < S+ 0 0 17 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.601 74.7 135.7 84.7 12.3 46.2 78.4 -12.0 108 215 A R - 0 0 93 1,-0.0 -4,-2.9 2,-0.0 2,-0.5 -0.726 61.4-112.9 -91.2 143.4 46.6 74.6 -11.5 109 216 A I E +B 103 0A 10 -2,-0.3 -96,-0.3 -6,-0.3 -6,-0.2 -0.639 45.9 159.7 -76.4 121.5 48.1 73.3 -8.3 110 217 A V E - 0 0 1 -8,-2.6 2,-0.3 -2,-0.5 22,-0.2 0.415 60.5 -2.2-122.3 -3.3 51.5 71.7 -9.2 111 218 A G E -B 102 0A 0 -9,-1.1 -9,-2.8 21,-0.1 2,-0.3 -0.967 60.8-122.2-169.3 179.9 53.3 71.7 -5.9 112 219 A Y E -B 101 0A 1 -2,-0.3 15,-1.6 -11,-0.2 2,-0.5 -0.985 3.2-150.6-136.9 148.1 53.2 72.7 -2.2 113 220 A S E -BC 100 126A 0 -13,-2.4 -13,-2.7 -2,-0.3 2,-0.7 -0.992 22.1-159.3-111.1 121.8 55.3 74.7 0.2 114 221 A G E -BC 99 125A 0 11,-3.5 11,-2.6 -2,-0.5 2,-0.4 -0.879 4.7-160.9-105.3 114.4 55.0 73.2 3.7 115 222 A R E -BC 98 124A 28 -17,-2.6 -17,-3.0 -2,-0.7 9,-0.2 -0.767 14.4-129.7 -96.0 136.7 55.8 75.5 6.6 116 223 A T - 0 0 4 7,-2.7 -19,-0.1 -2,-0.4 -20,-0.1 -0.323 15.8-171.7 -66.6 160.2 56.6 74.4 10.1 117 224 A Y S S+ 0 0 24 -21,-0.4 -1,-0.1 -2,-0.0 -20,-0.1 0.159 81.3 59.4-136.4 11.9 54.7 76.0 12.9 118 225 A T S S- 0 0 54 -22,-0.2 -2,-0.0 2,-0.0 -21,-0.0 0.061 118.8 -97.2-126.9 21.2 56.8 74.4 15.7 119 226 A G S S+ 0 0 58 1,-0.2 2,-0.1 4,-0.1 4,-0.1 0.782 71.3 154.5 68.8 29.6 60.2 75.8 14.8 120 227 A Q - 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0 0 27 -3,-1.8 -31,-2.6 -31,-0.2 -1,-0.2 -0.872 41.8-168.5-114.5 140.1 61.7 94.4 7.8 236 343 A D > - 0 0 27 -2,-0.4 4,-2.1 -33,-0.2 3,-0.2 -0.682 46.5 -96.7-106.4 169.1 60.0 92.4 5.1 237 344 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.886 124.7 54.0 -56.7 -40.5 56.6 93.4 3.6 238 345 A D H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 110.7 46.4 -58.0 -42.8 54.7 91.1 6.0 239 346 A E H > S+ 0 0 95 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.833 111.8 51.4 -69.7 -33.0 56.4 92.8 9.0 240 347 A Y H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.919 111.2 46.9 -68.4 -44.3 55.7 96.3 7.6 241 348 A I H X S+ 0 0 18 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.884 110.8 52.8 -65.3 -38.9 52.0 95.6 7.1 242 349 A G H < S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.819 117.0 38.2 -65.5 -31.5 51.7 94.1 10.5 243 350 A K H < S+ 0 0 133 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.852 131.3 20.7 -90.1 -38.1 53.3 97.1 12.2 244 351 A Y H < S- 0 0 109 -4,-2.6 4,-0.4 1,-0.2 -3,-0.2 0.599 101.5-121.4-112.2 -15.4 51.8 100.1 10.1 245 352 A G X - 0 0 29 -4,-1.7 4,-1.2 -5,-0.5 -1,-0.2 -0.261 35.0 -67.0 96.9 174.4 48.7 98.7 8.5 246 353 A N H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.906 126.7 50.7 -70.6 -46.0 47.5 98.4 4.9 247 354 A D H > S+ 0 0 134 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.888 110.5 50.4 -62.1 -39.5 47.1 102.1 4.0 248 355 A A H > S+ 0 0 36 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.857 111.6 50.0 -66.2 -35.0 50.6 102.8 5.2 249 356 A F H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.950 110.4 45.8 -68.6 -51.3 52.0 100.0 3.2 250 357 A T H X S+ 0 0 47 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.746 115.5 49.4 -68.3 -22.5 50.4 100.9 -0.2 251 358 A T H X S+ 0 0 93 -4,-1.4 4,-0.7 -5,-0.3 3,-0.3 0.899 109.6 50.4 -77.0 -45.2 51.4 104.5 0.4 252 359 A F H >X S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.911 108.0 52.8 -58.2 -46.3 55.0 103.5 1.2 253 360 A V H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.807 111.2 47.4 -60.3 -30.4 55.4 101.4 -1.9 254 361 A K H 3< S+ 0 0 178 -4,-0.6 3,-0.3 -3,-0.3 -1,-0.3 0.562 107.3 64.3 -88.6 -10.1 54.2 104.3 -4.1 255 362 A N H << S+ 0 0 108 -3,-1.1 2,-1.6 -4,-0.7 -2,-0.1 0.933 103.9 22.5 -80.9 -92.3 56.6 106.8 -2.4 256 363 A D < + 0 0 104 -4,-0.6 2,-0.7 -26,-0.1 -26,-0.5 -0.589 68.6 157.6 -85.5 83.1 60.3 106.2 -2.8 257 364 A K E -I 229 0C 70 -2,-1.6 2,-0.4 -3,-0.3 -28,-0.2 -0.916 22.3-170.5-105.5 107.5 60.5 104.1 -6.0 258 365 A K E -I 228 0C 52 -30,-2.1 -30,-2.2 -2,-0.7 -2,-0.0 -0.804 26.5-110.9-108.8 138.5 64.0 104.6 -7.3 259 366 A S E >> -I 227 0C 18 -2,-0.4 4,-2.0 -32,-0.2 3,-0.6 -0.301 40.6-108.9 -55.7 147.6 65.6 103.6 -10.6 260 367 A F H 3> S+ 0 0 4 -34,-2.3 4,-3.1 1,-0.2 5,-0.2 0.863 115.5 54.5 -52.1 -46.8 68.2 100.9 -10.1 261 368 A A H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 109.5 48.2 -56.9 -40.5 71.3 103.1 -10.8 262 369 A H H <> S+ 0 0 38 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.925 113.5 46.8 -68.1 -44.9 70.2 105.6 -8.2 263 370 A Y H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.923 111.9 52.1 -58.1 -47.2 69.6 102.9 -5.6 264 371 A K H X S+ 0 0 13 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.913 110.0 45.9 -59.0 -48.1 72.9 101.2 -6.4 265 372 A V H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.847 108.0 57.7 -68.3 -31.0 75.0 104.3 -6.0 266 373 A S H >< S+ 0 0 30 -4,-1.7 3,-0.7 1,-0.2 4,-0.3 0.881 106.8 49.7 -65.9 -35.2 73.2 105.2 -2.7 267 374 A I H 3< S+ 0 0 61 -4,-1.7 3,-0.4 1,-0.2 4,-0.2 0.893 114.8 43.6 -65.4 -40.4 74.3 101.8 -1.3 268 375 A L T 3X S+ 0 0 20 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.377 83.7 111.6 -87.0 3.7 77.9 102.5 -2.4 269 376 A K H <> S+ 0 0 116 -3,-0.7 4,-2.0 -4,-0.4 -1,-0.2 0.845 76.3 41.7 -50.7 -52.4 78.0 106.1 -1.2 270 377 A D H > S+ 0 0 110 -3,-0.4 4,-1.2 -4,-0.3 5,-0.2 0.912 114.0 50.8 -68.2 -43.3 80.4 105.8 1.7 271 378 A E H > S+ 0 0 82 -4,-0.2 4,-2.8 1,-0.2 3,-0.5 0.915 111.5 49.7 -60.7 -41.8 82.9 103.5 0.0 272 379 A I H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.9 49.6 -61.4 -41.7 83.0 105.9 -3.0 273 380 A A H < S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.684 123.5 29.6 -72.9 -17.7 83.5 108.9 -0.7 274 381 A H H < S+ 0 0 155 -4,-1.2 2,-0.6 -3,-0.5 -2,-0.2 0.704 111.8 59.2-114.0 -26.8 86.4 107.3 1.2 275 382 A N X - 0 0 67 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 -0.909 56.5-167.0-117.9 106.2 88.2 104.9 -1.2 276 383 A D H > S+ 0 0 133 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.783 90.5 55.2 -64.5 -31.0 89.6 106.4 -4.3 277 384 A L H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 112.3 43.5 -66.4 -44.1 90.1 103.1 -6.0 278 385 A S H > S+ 0 0 11 -7,-0.2 4,-2.9 2,-0.2 5,-0.3 0.839 108.0 61.1 -67.0 -35.6 86.5 102.3 -5.4 279 386 A Y H X S+ 0 0 70 -4,-2.4 4,-1.8 -8,-0.3 -2,-0.2 0.955 109.4 40.8 -54.0 -52.8 85.6 105.8 -6.6 280 387 A E H X S+ 0 0 101 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 116.7 48.0 -64.0 -48.5 87.1 105.2 -10.0 281 388 A R H X S+ 0 0 148 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.902 114.5 45.5 -61.2 -42.7 85.8 101.6 -10.4 282 389 A Y H X S+ 0 0 49 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.771 107.4 57.7 -75.2 -25.7 82.2 102.5 -9.4 283 390 A L H X S+ 0 0 25 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.909 111.2 43.9 -66.4 -41.2 82.2 105.6 -11.6 284 391 A K H X S+ 0 0 113 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.904 114.9 49.5 -67.5 -42.5 82.9 103.3 -14.5 285 392 A E H X S+ 0 0 84 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.946 112.2 46.0 -60.1 -51.8 80.3 100.8 -13.3 286 393 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.849 110.5 54.5 -64.1 -35.1 77.6 103.4 -12.8 287 394 A S H X S+ 0 0 8 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.914 111.2 45.5 -59.9 -44.6 78.4 104.8 -16.2 288 395 A H H X S+ 0 0 95 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.923 111.8 51.9 -65.4 -44.6 77.9 101.4 -17.7 289 396 A D H >X S+ 0 0 3 -4,-2.9 3,-1.0 1,-0.2 4,-0.6 0.934 110.7 47.3 -56.1 -50.0 74.7 100.8 -15.8 290 397 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.875 105.7 59.7 -62.0 -36.3 73.2 104.1 -16.9 291 398 A S H 3< S+ 0 0 53 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.735 100.6 57.3 -64.3 -22.0 74.2 103.3 -20.5 292 399 A L H << S+ 0 0 33 -3,-1.0 2,-0.4 -4,-0.9 -1,-0.3 0.664 79.1 109.8 -82.2 -17.6 72.1 100.1 -20.3 293 400 A M << - 0 0 23 -3,-1.2 -68,-0.1 -4,-0.6 6,-0.1 -0.457 52.4-162.8 -68.2 119.4 68.9 102.0 -19.5 294 401 A K + 0 0 156 -2,-0.4 2,-0.7 -70,-0.2 -1,-0.2 0.813 67.3 87.6 -72.5 -33.0 66.5 101.9 -22.4 295 402 A S > - 0 0 33 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.594 61.2-162.1 -74.0 112.0 64.3 104.8 -21.2 296 403 A S H > S+ 0 0 94 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.897 92.3 51.3 -58.0 -41.4 65.8 108.0 -22.5 297 404 A I H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 113.8 40.8 -62.0 -50.2 63.7 109.9 -19.8 298 405 A L H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.807 111.1 58.9 -72.4 -28.2 64.9 107.7 -16.9 299 406 A Q H X S+ 0 0 54 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.940 106.8 46.3 -63.7 -47.4 68.5 107.7 -18.2 300 407 A Q H X S+ 0 0 101 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.899 113.4 49.8 -63.4 -39.7 68.7 111.5 -18.1 301 408 A K H X S+ 0 0 115 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.890 107.9 52.6 -66.1 -39.9 67.2 111.5 -14.6 302 409 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.884 106.1 54.7 -64.0 -37.8 69.6 108.9 -13.3 303 410 A I H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.952 110.6 45.8 -57.9 -48.8 72.5 110.9 -14.6 304 411 A N H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.6 44.2 -59.7 -38.9 71.2 113.9 -12.6 305 412 A D H < S+ 0 0 41 -4,-2.2 4,-0.3 1,-0.1 -2,-0.2 0.791 117.6 42.3 -79.3 -30.9 70.7 111.7 -9.5 306 413 A V H >X S+ 0 0 0 -4,-2.8 3,-1.3 -5,-0.2 4,-0.5 0.844 96.4 74.7 -87.9 -35.9 74.0 109.8 -9.6 307 414 A A G ><>S+ 0 0 0 -4,-2.3 3,-1.9 -5,-0.3 5,-1.5 0.848 89.4 57.9 -46.2 -47.8 76.4 112.6 -10.5 308 415 A P G >45S+ 0 0 86 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.830 94.6 66.0 -58.5 -31.0 76.4 114.2 -7.0 309 416 A F G <45S+ 0 0 56 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.740 110.0 38.1 -61.2 -21.5 77.6 110.9 -5.4 310 417 A F G <<5S- 0 0 1 -3,-1.9 -1,-0.3 -4,-0.5 -3,-0.1 0.331 112.4-118.6-107.7 4.4 80.9 111.4 -7.3 311 418 A N T < 5S+ 0 0 154 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.1 0.918 74.9 122.2 54.5 45.2 81.0 115.2 -6.9 312 419 A V < - 0 0 31 -5,-1.5 -1,-0.2 3,-0.0 -2,-0.2 -0.882 66.7-101.4-126.3 163.9 80.9 115.7 -10.7 313 420 A S > - 0 0 38 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.487 30.9-114.0 -80.4 155.9 78.4 117.6 -12.8 314 421 A P H > S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.849 119.9 55.6 -55.1 -33.1 75.7 115.8 -14.7 315 422 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.888 106.0 49.2 -67.8 -40.3 77.5 116.9 -17.9 316 423 A Q H > S+ 0 0 115 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.904 112.3 48.1 -64.6 -42.4 80.7 115.3 -16.8 317 424 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.906 109.2 53.6 -65.2 -40.4 78.9 112.1 -16.0 318 425 A A H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.2 50.8 -60.6 -38.9 77.1 112.1 -19.4 319 426 A N H < S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 107.2 52.8 -66.6 -36.8 80.5 112.5 -21.1 320 427 A E H < 0 0 101 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.828 360.0 360.0 -68.1 -32.5 81.9 109.5 -19.2 321 428 A I < 0 0 70 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.974 360.0 360.0 -74.5 360.0 78.9 107.5 -20.4