==== 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 27-MAR-12 4EDR . 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) . 15723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.0 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 . 11 3.4 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 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 2 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 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 96 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 162.8 22.2 -68.8 18.4 2 109 A N H > + 0 0 143 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 360.0 54.9 -61.8 -34.9 25.0 -66.2 18.3 3 110 A A H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 109.6 45.6 -64.5 -44.5 27.3 -68.9 16.9 4 111 A D H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.865 110.2 55.0 -66.3 -37.0 24.9 -69.7 14.0 5 112 A D H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.906 108.0 49.1 -61.3 -42.8 24.5 -65.9 13.4 6 113 A L H X S+ 0 0 77 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.883 108.4 53.6 -65.1 -39.9 28.3 -65.6 13.1 7 114 A Q H X S+ 0 0 70 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.916 109.0 49.4 -57.4 -45.1 28.4 -68.5 10.7 8 115 A M H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.876 110.5 49.4 -64.0 -40.5 25.8 -66.8 8.5 9 116 A I H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.920 108.9 53.5 -64.0 -43.9 27.7 -63.5 8.5 10 117 A E H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.908 105.9 53.3 -55.9 -46.1 30.9 -65.4 7.6 11 118 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.6 45.8 -54.5 -48.1 29.1 -66.9 4.6 12 119 A H H X S+ 0 0 0 -4,-1.8 4,-1.4 97,-0.2 -2,-0.2 0.906 114.5 46.3 -62.2 -45.2 28.1 -63.5 3.4 13 120 A E H X S+ 0 0 52 -4,-2.6 4,-0.7 96,-0.3 -1,-0.2 0.802 114.8 47.5 -73.6 -28.1 31.5 -61.9 3.9 14 121 A L H >X S+ 0 0 55 -4,-2.5 4,-0.9 -5,-0.2 3,-0.6 0.912 111.6 48.0 -77.2 -44.3 33.3 -64.8 2.2 15 122 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.780 100.7 69.6 -68.1 -24.3 31.0 -65.0 -0.9 16 123 A Q H 3X S+ 0 0 34 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.898 96.1 52.2 -56.9 -43.0 31.4 -61.2 -1.2 17 124 A E H S+ 0 0 127 -4,-1.8 4,-2.4 1,-0.2 5,-1.0 0.912 110.1 53.8 -63.0 -43.6 36.0 -61.2 -8.4 22 129 A A H X5S+ 0 0 3 -4,-2.5 4,-0.5 31,-0.2 7,-0.5 0.888 113.7 42.4 -59.0 -41.5 33.2 -62.4 -10.7 23 130 A L H <5S+ 0 0 1 -4,-2.0 10,-0.2 30,-0.2 -2,-0.2 0.935 122.5 34.6 -70.5 -49.2 32.1 -58.8 -11.5 24 131 A T H <5S+ 0 0 31 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.703 131.6 20.0 -86.3 -21.3 35.5 -57.2 -11.9 25 132 A K H <5S+ 0 0 149 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.729 97.0 86.4-121.5 -32.9 37.6 -60.0 -13.5 26 133 A T S < S+ 0 0 114 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.898 109.7 54.4 -63.7 -42.9 34.0 -62.9 -18.7 28 135 A E T 3 S+ 0 0 80 1,-0.3 3,-0.4 2,-0.1 4,-0.4 0.809 106.2 53.2 -64.6 -28.3 30.5 -63.6 -17.4 29 136 A G T 3> S+ 0 0 0 -7,-0.5 4,-2.3 -3,-0.2 -1,-0.3 0.478 81.8 96.5 -84.6 -1.3 30.6 -60.4 -15.3 30 137 A E H <> S+ 0 0 109 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.873 83.3 45.4 -60.4 -44.9 31.6 -58.1 -18.2 31 138 A Q H > S+ 0 0 120 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.906 113.5 50.5 -66.7 -40.5 28.2 -56.8 -19.1 32 139 A A H > S+ 0 0 0 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.880 109.9 51.1 -63.4 -38.7 27.3 -56.2 -15.5 33 140 A L H X S+ 0 0 28 -4,-2.3 4,-2.4 -10,-0.2 -2,-0.2 0.919 109.1 50.2 -64.2 -44.2 30.5 -54.3 -15.0 34 141 A T H X S+ 0 0 69 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.905 107.7 54.9 -60.1 -42.5 29.8 -52.2 -18.1 35 142 A Y H X S+ 0 0 54 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.925 110.4 44.6 -55.9 -49.2 26.4 -51.4 -16.7 36 143 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 3,-0.8 0.904 111.9 52.7 -63.4 -42.5 27.8 -50.1 -13.4 37 144 A Q H ><5S+ 0 0 82 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.876 105.9 53.7 -62.7 -37.6 30.5 -48.1 -15.2 38 145 A E H 3<5S+ 0 0 156 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.668 103.9 57.8 -70.9 -16.2 27.9 -46.4 -17.4 39 146 A R T <<5S- 0 0 60 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.190 130.4 -96.1 -96.3 14.4 26.1 -45.5 -14.1 40 147 A G T < 5S+ 0 0 52 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.538 72.6 150.9 89.5 8.4 29.2 -43.7 -13.0 41 148 A F < - 0 0 5 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.1 -0.645 29.4-157.7 -77.6 114.8 30.8 -46.4 -10.9 42 149 A T > - 0 0 84 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.399 32.4-106.6 -79.4 165.8 34.6 -46.1 -10.8 43 150 A D H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.887 122.2 53.3 -58.7 -38.8 36.8 -49.1 -10.0 44 151 A A H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 108.6 47.2 -64.9 -41.9 37.5 -47.5 -6.6 45 152 A L H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.893 111.1 51.6 -68.8 -40.1 33.8 -47.1 -5.8 46 153 A I H X>S+ 0 0 1 -4,-2.2 5,-1.9 2,-0.2 4,-0.6 0.916 114.3 43.7 -60.9 -44.2 33.0 -50.6 -6.8 47 154 A K H <5S+ 0 0 147 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.907 112.1 53.6 -67.4 -42.7 35.8 -51.9 -4.6 48 155 A E H <5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.912 115.1 38.8 -58.8 -46.4 34.8 -49.6 -1.7 49 156 A R H <5S- 0 0 23 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.520 107.1-127.8 -83.9 -5.8 31.2 -50.7 -1.6 50 157 A G T <5 + 0 0 9 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.786 42.4 178.3 65.3 29.1 32.3 -54.3 -2.3 51 158 A I < + 0 0 0 -5,-1.9 49,-0.2 -6,-0.2 2,-0.2 -0.366 4.1 166.5 -69.2 140.1 29.9 -54.6 -5.2 52 159 A G E -A 99 0A 0 47,-2.6 47,-2.1 -29,-0.1 2,-0.4 -0.631 30.9-108.6-138.2-165.7 29.9 -57.9 -7.1 53 160 A F E -A 98 0A 0 -34,-1.9 45,-0.2 45,-0.3 -31,-0.2 -1.000 14.0-146.7-138.8 133.7 28.2 -60.2 -9.6 54 161 A A E -A 97 0A 0 43,-2.7 42,-1.2 -2,-0.4 43,-0.9 -0.909 25.5-132.1-101.1 117.2 26.3 -63.4 -9.1 55 162 A P - 0 0 9 0, 0.0 41,-0.6 0, 0.0 3,-0.4 -0.094 15.1-120.5 -60.3 166.9 26.7 -65.8 -12.1 56 163 A D S S+ 0 0 99 39,-0.3 39,-0.1 1,-0.2 -2,-0.0 0.297 84.9 102.0 -97.0 9.6 23.6 -67.5 -13.6 57 164 A S S S- 0 0 43 1,-0.1 -1,-0.2 0, 0.0 38,-0.1 0.733 78.8-137.2 -67.2 -23.6 24.6 -71.1 -13.0 58 165 A S S S+ 0 0 46 -3,-0.4 34,-2.6 36,-0.2 -1,-0.1 0.411 93.4 61.8 77.0 3.0 22.3 -71.4 -10.0 59 166 A H > + 0 0 90 32,-0.2 4,-2.4 3,-0.1 5,-0.2 0.184 66.8 103.7-139.2 16.8 25.0 -73.3 -8.0 60 167 A F H > S+ 0 0 32 2,-0.2 4,-1.5 -5,-0.2 5,-0.1 0.966 93.0 31.9 -63.6 -56.6 27.8 -70.7 -7.8 61 168 A C H > S+ 0 0 0 33,-0.2 4,-2.6 2,-0.2 5,-0.3 0.901 118.6 57.1 -68.7 -41.2 27.2 -69.7 -4.2 62 169 A H H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 109.0 43.4 -54.9 -52.6 26.0 -73.2 -3.2 63 170 A D H X S+ 0 0 67 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.864 113.5 52.5 -65.5 -37.0 29.2 -75.0 -4.4 64 171 A F H X S+ 0 0 27 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.947 112.7 42.8 -63.1 -50.7 31.4 -72.3 -2.8 65 172 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.856 114.6 52.3 -65.2 -35.0 29.8 -72.6 0.6 66 173 A Q H ><5S+ 0 0 109 -4,-2.2 3,-1.2 -5,-0.3 -2,-0.2 0.928 109.9 48.2 -65.1 -45.3 29.7 -76.4 0.3 67 174 A K H 3<5S+ 0 0 171 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 107.5 55.9 -61.9 -37.6 33.5 -76.4 -0.5 68 175 A K T 3<5S- 0 0 108 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.504 120.2-110.2 -77.3 -4.1 34.2 -74.1 2.5 69 176 A G T < 5 + 0 0 64 -3,-1.2 2,-0.2 -4,-0.3 -3,-0.2 0.686 64.6 150.4 87.0 20.3 32.4 -76.6 4.8 70 177 A Y < - 0 0 30 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.600 55.3-103.7 -84.4 146.2 29.3 -74.7 5.6 71 178 A D > - 0 0 96 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 -0.556 26.2-145.7 -67.7 124.4 26.0 -76.4 6.4 72 179 A I H > S+ 0 0 28 -2,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.872 97.4 52.8 -63.3 -39.8 23.8 -76.0 3.3 73 180 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 108.1 51.7 -64.9 -35.6 20.6 -75.8 5.3 74 181 A L H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 106.5 54.0 -67.6 -34.2 22.1 -73.0 7.4 75 182 A A H <>S+ 0 0 0 -4,-1.6 5,-2.1 2,-0.2 6,-1.1 0.828 108.5 49.8 -67.8 -32.5 23.0 -71.2 4.2 76 183 A Y H ><5S+ 0 0 71 -4,-1.6 3,-1.4 4,-0.2 -2,-0.2 0.906 110.5 48.6 -68.7 -44.1 19.4 -71.5 3.2 77 184 A E H 3<5S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.782 105.7 59.5 -66.5 -25.8 18.3 -70.1 6.5 78 185 A A T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.498 116.4-118.5 -79.7 -5.0 20.9 -67.3 5.9 79 186 A G T < 5S+ 0 0 2 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.612 88.1 108.8 79.8 13.1 19.0 -66.4 2.8 80 187 A L S > -D 89 0B 61 5,-3.0 4,-1.7 -2,-0.5 5,-0.6 -0.696 16.9-157.6 -75.0 111.1 13.2 -76.6 -4.3 85 192 A E T 45S+ 0 0 134 -2,-0.8 -1,-0.2 1,-0.2 0, 0.0 0.689 84.7 61.6 -68.4 -18.9 10.2 -77.9 -2.3 86 193 A E T 45S+ 0 0 97 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.929 125.6 10.6 -72.6 -46.7 9.6 -80.8 -4.7 87 194 A N T 45S- 0 0 103 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.289 96.5-120.6-117.9 7.1 12.9 -82.5 -4.2 88 195 A F T <5 + 0 0 63 -4,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.701 62.3 148.9 59.1 22.7 14.4 -80.6 -1.3 89 196 A S E < -D 84 0B 47 -5,-0.6 -5,-3.0 1,-0.0 2,-0.3 -0.511 39.6-132.2 -85.0 156.4 17.4 -79.6 -3.4 90 197 A Y E +D 83 0B 57 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.845 28.2 164.0-113.0 146.7 19.2 -76.3 -2.8 91 198 A Y E -D 82 0B 82 -9,-2.2 -9,-3.4 -2,-0.3 -32,-0.2 -0.945 45.0 -66.0-151.0 170.1 20.3 -73.6 -5.3 92 199 A D E -D 81 0B 0 -34,-2.6 -11,-0.2 -2,-0.3 3,-0.1 -0.384 28.2-160.4 -64.3 128.7 21.4 -70.0 -5.5 93 200 A R S S+ 0 0 58 -13,-1.8 2,-0.6 1,-0.2 -1,-0.2 0.857 84.1 57.6 -71.4 -36.8 18.8 -67.4 -4.5 94 201 A F + 0 0 0 -14,-0.6 2,-0.4 3,-0.0 -33,-0.2 -0.865 69.0 166.5-104.2 116.6 20.8 -64.7 -6.4 95 202 A R - 0 0 103 -2,-0.6 -39,-0.3 1,-0.1 3,-0.1 -0.994 63.0 -8.4-136.0 130.6 21.4 -65.4 -10.1 96 203 A N S S+ 0 0 42 -42,-1.2 21,-0.4 -41,-0.6 2,-0.3 0.892 100.2 124.8 52.6 46.6 22.6 -63.1 -12.9 97 204 A R E -A 54 0A 22 -43,-0.9 -43,-2.7 -42,-0.1 2,-0.6 -0.954 69.0-110.1-134.4 153.2 22.4 -60.0 -10.6 98 205 A I E -AB 53 115A 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.7 -0.743 40.7-137.8 -82.7 122.5 24.7 -57.2 -9.5 99 206 A M E -AB 52 114A 1 -47,-2.1 -47,-2.6 -2,-0.6 15,-0.2 -0.738 20.3-173.3 -98.3 113.7 25.3 -57.9 -5.8 100 207 A F E - B 0 113A 0 13,-2.7 13,-2.1 -2,-0.7 -49,-0.1 -0.907 26.2-128.6-102.8 116.1 25.3 -55.0 -3.3 101 208 A P E - B 0 112A 6 0, 0.0 2,-0.6 0, 0.0 11,-0.2 -0.381 14.7-148.3 -62.2 137.2 26.4 -56.1 0.2 102 209 A L E - B 0 111A 0 9,-2.9 8,-2.7 -2,-0.1 9,-1.1 -0.944 16.7-162.7-110.1 112.3 24.0 -55.0 3.0 103 210 A K E - B 0 109A 94 -2,-0.6 39,-0.3 6,-0.3 6,-0.3 -0.726 10.3-131.6 -99.3 143.8 25.8 -54.3 6.2 104 211 A N > - 0 0 31 4,-2.8 3,-2.0 -2,-0.3 39,-0.3 -0.084 45.1 -79.9 -77.4-174.0 24.3 -54.1 9.7 105 212 A A T 3 S+ 0 0 31 1,-0.3 41,-0.1 2,-0.1 -1,-0.1 0.708 132.6 52.3 -62.9 -21.1 24.9 -51.4 12.3 106 213 A Q T 3 S- 0 0 135 2,-0.1 -1,-0.3 37,-0.0 3,-0.1 0.366 120.6-106.9 -97.0 3.2 28.3 -53.0 13.2 107 214 A G S < S+ 0 0 16 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.607 73.8 137.6 84.2 12.8 29.4 -53.1 9.6 108 215 A R - 0 0 89 1,-0.0 -4,-2.8 2,-0.0 2,-0.5 -0.738 60.6-114.0 -90.3 140.0 29.1 -56.8 9.1 109 216 A I E +B 103 0A 9 -2,-0.4 -96,-0.3 -6,-0.3 -6,-0.3 -0.621 45.5 160.3 -74.5 119.7 27.5 -58.1 5.9 110 217 A V E - 0 0 1 -8,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.407 60.0 -5.4-121.6 -3.2 24.2 -59.7 6.8 111 218 A G E -B 102 0A 0 -9,-1.1 -9,-2.9 21,-0.1 2,-0.3 -0.975 60.9-120.2-172.0-179.5 22.4 -59.7 3.4 112 219 A Y E -B 101 0A 1 -2,-0.3 15,-1.5 -11,-0.2 2,-0.5 -0.975 2.2-151.3-137.0 150.9 22.4 -58.7 -0.2 113 220 A S E -BC 100 126A 0 -13,-2.1 -13,-2.7 -2,-0.3 2,-0.6 -0.992 21.3-161.1-116.1 120.5 20.4 -56.7 -2.7 114 221 A G E -BC 99 125A 0 11,-3.6 11,-2.7 -2,-0.5 2,-0.4 -0.896 3.6-158.9-106.9 115.1 20.8 -58.1 -6.2 115 222 A R E -BC 98 124A 36 -17,-2.5 -17,-3.0 -2,-0.6 9,-0.2 -0.727 15.2-127.0 -92.8 139.2 19.9 -55.8 -9.1 116 223 A T - 0 0 4 7,-2.5 -19,-0.1 -2,-0.4 -20,-0.1 -0.392 17.0-172.1 -67.8 156.4 19.0 -57.0 -12.6 117 224 A Y S S+ 0 0 27 -21,-0.4 -1,-0.1 -2,-0.1 -20,-0.1 0.169 81.3 60.3-131.1 10.5 20.9 -55.4 -15.4 118 225 A T S S- 0 0 54 -22,-0.2 -2,-0.0 2,-0.0 -21,-0.0 0.011 118.8 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-37.3 10.2 218 325 A H H X S+ 0 0 52 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.879 112.2 50.5 -71.6 -39.4 4.9 -40.3 12.2 219 326 A L H <>S+ 0 0 1 -4,-2.4 5,-2.3 2,-0.2 -2,-0.2 0.896 109.8 51.6 -62.7 -41.5 8.3 -38.9 13.0 220 327 A L H ><5S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.886 107.3 52.8 -62.4 -40.5 6.7 -35.6 14.1 221 328 A Q H 3<5S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.5 57.2 -64.3 -28.9 4.4 -37.6 16.4 222 329 A Q T 3<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.357 124.1-103.1 -87.4 5.8 7.4 -39.3 17.9 223 330 A G T < 5S+ 0 0 19 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.665 74.1 141.0 85.0 18.2 8.9 -35.9 18.9 224 331 A L < - 0 0 3 -5,-2.3 2,-0.8 -6,-0.1 -1,-0.3 -0.602 57.7-116.5 -90.0 153.1 11.5 -35.7 16.1 225 332 A N E -h 197 0C 34 -29,-3.6 -27,-2.8 -2,-0.2 2,-0.4 -0.819 38.9-157.7 -88.4 112.1 12.4 -32.5 14.2 226 333 A V E +h 198 0C 7 -2,-0.8 34,-2.3 -29,-0.2 2,-0.3 -0.791 16.6 176.1-105.0 130.5 11.4 -33.2 10.6 227 334 A F E -hI 199 259C 32 -29,-2.7 -27,-3.1 -2,-0.4 2,-0.4 -0.894 13.1-150.3-125.4 157.6 12.7 -31.6 7.5 228 335 A V E -hI 200 258C 4 30,-2.7 30,-2.1 -2,-0.3 2,-0.6 -0.992 8.0-163.6-133.9 131.1 12.0 -32.2 3.8 229 336 A I - 0 0 2 -29,-2.4 2,-0.8 -2,-0.4 -27,-0.2 -0.965 18.1-151.8-109.2 118.5 14.1 -31.7 0.6 230 337 A Q - 0 0 99 -2,-0.6 3,-0.1 26,-0.5 26,-0.1 -0.806 8.5-153.0 -97.4 109.9 11.9 -31.8 -2.5 231 338 A L - 0 0 7 -2,-0.8 3,-0.1 -29,-0.5 4,-0.1 -0.386 34.9 -83.2 -73.8 155.3 13.7 -33.0 -5.6 232 339 A P > - 0 0 44 0, 0.0 3,-1.7 0, 0.0 -28,-0.3 -0.194 66.5 -73.9 -54.6 152.1 12.6 -31.9 -9.1 233 340 A S T 3 S+ 0 0 121 1,-0.3 -28,-0.2 -3,-0.1 3,-0.1 -0.236 118.1 11.6 -55.3 127.7 9.7 -33.8 -10.6 234 341 A G T 3 S+ 0 0 50 -30,-3.6 2,-0.4 1,-0.2 -1,-0.3 0.610 104.9 111.6 82.8 13.9 10.6 -37.3 -11.7 235 342 A M < - 0 0 21 -3,-1.7 -31,-3.2 -31,-0.3 -1,-0.2 -0.943 43.7-169.0-124.0 143.0 14.1 -37.3 -10.1 236 343 A D > - 0 0 23 -2,-0.4 4,-2.4 -33,-0.3 3,-0.3 -0.681 50.2 -90.3-109.5 173.2 15.7 -39.2 -7.2 237 344 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.886 127.0 52.2 -53.5 -42.7 19.1 -38.2 -5.8 238 345 A D H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 111.6 46.4 -59.2 -42.6 21.0 -40.5 -8.2 239 346 A E H > S+ 0 0 93 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.867 111.7 50.9 -69.9 -36.8 19.2 -39.0 -11.2 240 347 A Y H X>S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.914 111.5 48.3 -65.0 -43.6 19.8 -35.4 -9.9 241 348 A I H X5S+ 0 0 15 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.904 110.5 51.4 -62.8 -42.6 23.5 -36.1 -9.4 242 349 A G H <5S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.796 117.6 38.5 -65.6 -29.3 23.8 -37.6 -12.9 243 350 A K H <5S+ 0 0 143 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.833 132.7 19.2 -91.3 -36.1 22.2 -34.6 -14.6 244 351 A Y H <5S- 0 0 112 -4,-2.6 4,-0.4 1,-0.2 -3,-0.2 0.622 102.6-121.7-114.7 -18.6 23.6 -31.7 -12.6 245 352 A G X< - 0 0 29 -4,-2.0 4,-1.4 -5,-0.5 -1,-0.2 -0.230 33.5 -66.8 99.7 171.4 26.7 -33.1 -10.9 246 353 A N H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 127.3 49.0 -66.5 -46.6 28.0 -33.4 -7.3 247 354 A D H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 111.4 50.1 -63.1 -40.7 28.5 -29.7 -6.5 248 355 A A H > S+ 0 0 35 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.850 111.4 50.7 -65.0 -34.7 25.0 -28.9 -7.8 249 356 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.937 110.5 45.7 -68.9 -49.1 23.6 -31.7 -5.6 250 357 A T H X S+ 0 0 48 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.776 115.4 49.1 -68.1 -26.3 25.3 -30.7 -2.4 251 358 A T H X S+ 0 0 94 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.904 111.2 49.0 -74.5 -44.4 24.2 -27.1 -3.0 252 359 A F H >X S+ 0 0 40 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.923 110.1 50.6 -59.7 -48.3 20.6 -28.1 -3.7 253 360 A V H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.6 46.5 -59.5 -33.0 20.4 -30.2 -0.6 254 361 A K H 3< S+ 0 0 174 -4,-0.9 3,-0.3 -5,-0.2 -1,-0.2 0.675 109.2 60.1 -83.4 -18.8 21.7 -27.3 1.4 255 362 A N H << S+ 0 0 113 -4,-1.2 2,-1.2 -3,-0.6 -2,-0.2 0.982 106.2 25.3 -76.4 -83.6 19.4 -24.8 -0.2 256 363 A D < + 0 0 89 -4,-0.9 2,-0.7 -26,-0.1 -26,-0.5 -0.654 66.5 154.0 -94.2 85.7 15.7 -25.6 0.3 257 364 A K - 0 0 71 -2,-1.2 2,-0.3 -3,-0.3 -28,-0.2 -0.916 23.9-169.8-111.3 104.1 15.3 -27.6 3.5 258 365 A K E -I 228 0C 62 -30,-2.1 -30,-2.7 -2,-0.7 -2,-0.0 -0.719 26.8-110.1 -99.8 143.0 11.8 -27.0 4.8 259 366 A S E >> -I 227 0C 17 -2,-0.3 4,-2.0 -32,-0.2 3,-0.7 -0.351 41.8-107.4 -58.4 149.5 10.3 -28.0 8.2 260 367 A F H 3> S+ 0 0 4 -34,-2.3 4,-2.9 1,-0.3 5,-0.2 0.857 117.4 54.9 -52.7 -44.1 7.7 -30.7 7.7 261 368 A A H 3> S+ 0 0 2 1,-0.2 4,-2.0 -35,-0.2 -1,-0.3 0.866 108.7 48.7 -59.8 -38.5 4.7 -28.5 8.3 262 369 A H H <> S+ 0 0 36 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.914 113.3 46.3 -69.7 -43.6 5.8 -26.0 5.6 263 370 A Y H X S+ 0 0 7 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.925 111.7 53.1 -60.7 -45.9 6.3 -28.8 3.1 264 371 A K H X S+ 0 0 12 -4,-2.9 4,-1.6 1,-0.2 3,-0.2 0.910 110.2 44.5 -59.2 -48.1 3.0 -30.4 3.9 265 372 A V H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.830 109.1 57.8 -69.4 -29.9 0.9 -27.2 3.4 266 373 A S H >< S+ 0 0 27 -4,-1.6 3,-0.5 1,-0.2 4,-0.3 0.845 107.0 48.8 -67.7 -33.5 2.8 -26.4 0.2 267 374 A I H 3< S+ 0 0 60 -4,-1.7 3,-0.3 1,-0.2 4,-0.2 0.876 115.5 43.5 -69.2 -38.6 1.7 -29.8 -1.2 268 375 A L T 3X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.318 83.7 111.4 -89.7 7.5 -1.9 -29.1 -0.1 269 376 A K H <> S+ 0 0 117 -3,-0.5 4,-1.8 -4,-0.2 -1,-0.2 0.877 77.0 42.4 -52.1 -52.6 -1.9 -25.5 -1.4 270 377 A D H > S+ 0 0 115 -3,-0.3 4,-0.9 -4,-0.3 -1,-0.2 0.886 114.4 49.9 -66.7 -41.2 -4.3 -25.9 -4.3 271 378 A E H >> S+ 0 0 81 -4,-0.2 4,-2.8 1,-0.2 3,-0.5 0.901 110.9 50.2 -65.1 -40.9 -6.8 -28.0 -2.5 272 379 A I H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 7,-0.2 0.887 110.4 50.4 -62.2 -39.5 -6.9 -25.7 0.5 273 380 A A H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.646 123.4 28.6 -76.7 -15.5 -7.5 -22.7 -1.8 274 381 A H H << S+ 0 0 161 -4,-0.9 2,-0.6 -3,-0.5 -2,-0.2 0.660 112.2 61.8-117.3 -26.9 -10.4 -24.3 -3.7 275 382 A N X - 0 0 69 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 -0.901 56.2-168.5-112.3 108.3 -12.0 -26.7 -1.3 276 383 A D H > S+ 0 0 133 -2,-0.6 4,-2.0 1,-0.2 5,-0.1 0.795 90.5 53.9 -66.0 -30.0 -13.5 -25.1 1.9 277 384 A L H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 112.2 43.9 -68.5 -42.8 -14.0 -28.4 3.6 278 385 A S H > S+ 0 0 11 -7,-0.2 4,-2.9 2,-0.2 5,-0.3 0.841 108.4 60.6 -68.5 -34.9 -10.3 -29.3 3.0 279 386 A Y H X S+ 0 0 71 -4,-2.4 4,-1.8 -8,-0.3 -2,-0.2 0.958 109.4 40.8 -53.7 -55.2 -9.4 -25.7 4.1 280 387 A E H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.920 116.8 48.2 -61.9 -47.8 -10.9 -26.3 7.5 281 388 A R H X S+ 0 0 149 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.898 114.7 44.4 -63.4 -42.0 -9.6 -29.9 7.9 282 389 A Y H X S+ 0 0 48 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.768 108.3 57.6 -76.9 -25.1 -6.1 -29.0 6.9 283 390 A L H X S+ 0 0 25 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.916 111.0 44.3 -66.9 -41.7 -6.0 -25.8 9.1 284 391 A K H X S+ 0 0 116 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.913 114.9 48.7 -65.3 -44.4 -6.8 -28.1 12.0 285 392 A E H X S+ 0 0 84 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.949 112.6 46.3 -61.0 -51.5 -4.2 -30.7 10.9 286 393 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.856 110.7 54.2 -61.4 -36.2 -1.5 -28.1 10.4 287 394 A S H X S+ 0 0 6 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.925 111.9 44.5 -61.0 -45.1 -2.4 -26.6 13.7 288 395 A H H X S+ 0 0 94 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.898 112.3 52.6 -64.8 -42.1 -1.9 -30.0 15.3 289 396 A D H >X S+ 0 0 2 -4,-3.0 3,-0.7 1,-0.2 4,-0.5 0.931 110.5 46.3 -59.8 -48.6 1.3 -30.6 13.4 290 397 A I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.866 106.6 59.1 -64.1 -36.4 2.9 -27.3 14.5 291 398 A S H 3< S+ 0 0 54 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 101.2 56.8 -62.8 -27.0 1.8 -28.0 18.1 292 399 A L H << S+ 0 0 45 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.3 0.649 79.4 111.0 -79.0 -16.8 3.8 -31.2 18.0 293 400 A M << - 0 0 24 -3,-1.2 -68,-0.1 -4,-0.5 6,-0.1 -0.454 52.8-162.3 -67.1 120.5 7.0 -29.4 17.1 294 401 A K + 0 0 155 -2,-0.3 2,-0.7 -70,-0.2 -1,-0.2 0.821 69.1 86.2 -73.0 -33.2 9.5 -29.5 20.0 295 402 A S > - 0 0 34 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.608 61.8-163.2 -75.0 112.6 11.6 -26.7 18.7 296 403 A S H > S+ 0 0 92 -2,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.871 90.7 52.0 -61.9 -38.4 10.1 -23.4 19.9 297 404 A I H > S+ 0 0 135 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 114.7 39.4 -62.7 -51.8 12.2 -21.5 17.3 298 405 A L H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.774 110.5 60.8 -72.9 -26.1 11.0 -23.6 14.4 299 406 A Q H X S+ 0 0 53 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.922 107.0 46.0 -63.6 -44.2 7.5 -23.8 15.8 300 407 A Q H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.892 113.2 48.6 -66.5 -41.3 7.3 -20.0 15.5 301 408 A K H X S+ 0 0 109 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.884 107.9 55.0 -66.7 -38.8 8.7 -20.0 12.0 302 409 A A H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.908 105.9 53.0 -59.2 -42.3 6.3 -22.7 10.9 303 410 A I H X S+ 0 0 10 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.929 111.1 45.9 -57.6 -47.4 3.5 -20.5 12.1 304 411 A N H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.1 44.7 -64.3 -35.2 4.7 -17.6 10.0 305 412 A D H < S+ 0 0 40 -4,-2.3 4,-0.3 2,-0.1 -2,-0.2 0.825 117.1 42.7 -79.5 -33.7 5.3 -19.8 6.9 306 413 A V H >X S+ 0 0 0 -4,-2.8 3,-1.6 -5,-0.2 4,-0.5 0.873 97.3 73.4 -83.8 -38.9 2.0 -21.8 7.1 307 414 A A G ><>S+ 0 0 0 -4,-2.1 5,-1.8 -5,-0.3 3,-1.7 0.817 89.5 58.2 -45.7 -45.7 -0.4 -18.9 7.9 308 415 A P G >45S+ 0 0 86 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.808 95.8 65.1 -60.0 -28.1 -0.3 -17.3 4.3 309 416 A F G <45S+ 0 0 55 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.721 109.2 38.9 -66.0 -20.7 -1.5 -20.6 2.8 310 417 A F G <<5S- 0 0 1 -3,-1.7 -1,-0.3 -4,-0.5 -3,-0.1 0.292 112.9-117.2-108.7 6.9 -4.8 -20.2 4.7 311 418 A N T < 5S+ 0 0 154 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.1 0.906 76.4 121.4 54.4 43.9 -5.0 -16.4 4.2 312 419 A V < - 0 0 32 -5,-1.8 -1,-0.2 3,-0.0 -2,-0.2 -0.895 66.7-101.6-128.9 162.5 -4.8 -15.8 7.9 313 420 A S > - 0 0 37 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.474 29.6-116.2 -80.8 154.8 -2.4 -13.9 10.2 314 421 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.836 119.5 55.1 -56.2 -33.3 0.4 -15.7 12.1 315 422 A E H > S+ 0 0 137 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.888 106.9 49.1 -67.1 -40.7 -1.4 -14.5 15.3 316 423 A Q H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 113.0 46.8 -64.1 -43.2 -4.6 -16.1 14.1 317 424 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.895 109.6 53.9 -66.2 -40.6 -2.9 -19.4 13.4 318 425 A A H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 106.4 53.5 -61.5 -36.2 -1.1 -19.2 16.7 319 426 A N H < S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 105.7 52.4 -64.8 -40.8 -4.4 -18.8 18.5 320 427 A E H < 0 0 103 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.800 360.0 360.0 -65.9 -29.5 -5.8 -21.9 16.7 321 428 A I < 0 0 66 -4,-1.4 -33,-0.1 -5,-0.1 -34,-0.1 -0.069 360.0 360.0 -79.4 360.0 -2.8 -23.9 18.0