==== 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 NUCLEOTIDYLTRANSFERASE 28-APR-98 1RDR . COMPND 2 MOLECULE: POLIOVIRUS 3D POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR J.HANSEN,A.LONG,S.SCHULTZ . 316 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 5 0 0 0 1 1 1 2 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 12 A V 0 0 130 0, 0.0 2,-0.3 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 135.2 8.0 53.3 54.0 2 13 A G - 0 0 61 272,-0.0 0, 0.0 87,-0.0 0, 0.0 -0.894 360.0-132.9-118.2 150.6 5.8 53.9 57.0 3 14 A Y > - 0 0 19 -2,-0.3 4,-1.7 1,-0.2 271,-0.0 -0.843 23.5-176.9-107.0 100.7 4.3 57.1 58.2 4 15 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 271,-0.1 0.910 79.8 27.3 -57.4 -54.2 5.0 57.2 62.0 5 16 A I T >4 S+ 0 0 11 2,-0.1 3,-1.4 1,-0.1 -2,-0.1 0.908 124.1 46.6 -80.5 -46.5 3.2 60.4 63.0 6 17 A I T 34 S+ 0 0 49 1,-0.3 -1,-0.1 226,-0.1 227,-0.1 0.898 121.8 37.5 -66.1 -39.8 0.5 60.6 60.3 7 18 A N T 3< S+ 0 0 84 -4,-1.7 -1,-0.3 0, 0.0 -2,-0.1 -0.033 86.7 153.2-100.3 31.5 -0.5 57.0 60.7 8 19 A A < - 0 0 52 -3,-1.4 -3,-0.1 1,-0.1 3,-0.1 -0.364 44.6-123.4 -59.6 132.6 0.0 57.3 64.5 9 20 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.105 38.5 -81.0 -67.5-179.8 -2.2 54.7 66.2 10 21 A S > - 0 0 61 1,-0.1 3,-1.3 3,-0.0 4,-0.1 -0.461 34.1-113.2 -83.2 158.0 -4.7 55.9 68.8 11 22 A K G > S+ 0 0 109 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.722 111.1 75.5 -60.2 -21.6 -3.8 56.6 72.5 12 23 A T G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.904 100.1 40.7 -57.5 -42.3 -5.9 53.6 73.4 13 24 A K G < S+ 0 0 151 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.293 106.2 88.6 -91.6 11.6 -3.2 51.2 72.1 14 25 A L < - 0 0 35 -3,-1.5 249,-0.2 -4,-0.1 247,-0.0 -0.832 49.7-173.0-115.9 151.7 -0.3 53.3 73.6 15 26 A E E -A 262 0A 83 247,-3.1 247,-1.8 -2,-0.3 2,-0.1 -0.886 43.5 -76.8-131.2 160.0 1.5 53.4 76.9 16 27 A P E -A 261 0A 68 0, 0.0 245,-0.3 0, 0.0 2,-0.1 -0.362 47.9-139.1 -60.7 133.1 4.1 55.9 78.3 17 28 A S > - 0 0 12 243,-1.8 3,-2.2 -2,-0.1 4,-0.2 -0.369 29.6 -99.5 -88.8 171.7 7.6 55.4 76.9 18 29 A A T 3 S+ 0 0 48 1,-0.3 3,-0.2 2,-0.1 282,-0.1 0.603 126.6 55.9 -65.8 -7.9 10.9 55.6 78.8 19 30 A F T >> S+ 0 0 0 240,-0.4 3,-1.1 1,-0.1 4,-1.0 0.225 72.0 116.1-108.3 14.3 11.1 59.1 77.3 20 31 A H T <4 S+ 0 0 20 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.784 86.0 28.6 -54.3 -36.6 7.7 60.2 78.7 21 32 A Y T 34 S+ 0 0 208 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.332 106.0 75.3-109.9 9.3 9.1 62.9 81.0 22 33 A V T <4 S+ 0 0 31 -3,-1.1 2,-0.3 1,-0.1 -2,-0.2 0.685 106.3 31.3 -89.0 -21.3 12.2 63.7 79.0 23 34 A F S < S- 0 0 11 -4,-1.0 2,-0.2 233,-0.1 -1,-0.1 -0.928 83.5-125.3-131.5 156.2 10.0 65.6 76.5 24 35 A E - 0 0 169 -2,-0.3 236,-0.1 -3,-0.1 -3,-0.1 -0.522 8.7-159.2-100.0 169.3 6.8 67.6 76.9 25 36 A G 0 0 38 -2,-0.2 -1,-0.0 235,-0.0 232,-0.0 0.246 360.0 360.0-137.3 22.7 3.4 67.3 75.3 26 37 A V 0 0 148 0, 0.0 231,-0.0 0, 0.0 0, 0.0 0.978 360.0 360.0 -71.9 360.0 1.2 70.5 75.5 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 67 A I 0 0 65 0, 0.0 94,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 24.5 -26.2 69.0 48.7 29 68 A T + 0 0 115 1,-0.1 93,-0.5 92,-0.1 2,-0.2 0.948 360.0 22.1 -82.3 -57.9 -28.4 65.9 48.5 30 69 A E S S- 0 0 157 91,-0.1 2,-0.3 92,-0.1 -1,-0.1 -0.669 98.1 -76.7-111.3 167.1 -27.8 64.6 45.0 31 70 A V - 0 0 25 -2,-0.2 2,-0.1 91,-0.1 -1,-0.1 -0.451 55.8-160.6 -63.8 119.5 -25.0 65.1 42.4 32 71 A D > - 0 0 43 -2,-0.3 4,-2.5 1,-0.0 3,-0.3 -0.316 35.1 -86.0 -97.2-177.9 -25.4 68.5 40.9 33 72 A E H > S+ 0 0 138 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.743 125.5 51.4 -59.0 -27.2 -24.1 70.1 37.6 34 73 A Y H > S+ 0 0 42 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.860 110.8 45.3 -80.2 -37.6 -20.9 71.1 39.3 35 74 A M H > S+ 0 0 2 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.929 109.7 56.9 -69.1 -44.9 -20.0 67.7 40.7 36 75 A K H X S+ 0 0 118 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.890 110.1 44.0 -51.6 -45.1 -20.9 66.1 37.3 37 76 A E H X S+ 0 0 105 -4,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.826 110.9 54.6 -71.1 -31.4 -18.4 68.3 35.6 38 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.892 108.6 49.1 -66.7 -39.0 -15.9 67.6 38.3 39 78 A V H X S+ 0 0 0 -4,-2.9 4,-3.7 2,-0.2 5,-0.4 0.955 109.4 53.7 -61.2 -50.8 -16.4 63.9 37.7 40 79 A D H X S+ 0 0 101 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.934 111.5 42.8 -48.5 -57.8 -15.9 64.5 34.0 41 80 A H H X S+ 0 0 32 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.913 118.8 44.1 -60.6 -44.5 -12.6 66.3 34.4 42 81 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.924 111.4 51.2 -68.8 -47.7 -11.2 63.9 37.0 43 82 A A H X S+ 0 0 3 -4,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.904 107.5 56.7 -55.6 -41.0 -12.3 60.7 35.2 44 83 A G H X S+ 0 0 43 -4,-2.1 4,-1.0 -5,-0.4 -1,-0.2 0.921 106.3 48.5 -57.4 -45.6 -10.7 62.0 32.1 45 84 A Q H < S+ 0 0 36 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.853 107.4 54.5 -63.0 -39.2 -7.3 62.4 33.9 46 85 A L H >< S+ 0 0 2 -4,-1.9 3,-2.0 1,-0.2 4,-0.5 0.865 100.2 62.0 -65.0 -35.2 -7.4 58.9 35.3 47 86 A M H >< S+ 0 0 90 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.868 89.4 67.7 -59.3 -35.7 -7.9 57.5 31.8 48 87 A S T 3< S+ 0 0 82 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.660 97.8 56.9 -60.2 -10.8 -4.6 58.8 30.7 49 88 A L T < S- 0 0 42 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.676 95.6-142.7 -92.0 -20.6 -3.1 56.2 33.2 50 89 A D < - 0 0 134 -3,-1.7 -3,-0.1 -4,-0.5 2,-0.1 0.960 23.0-159.8 54.3 55.4 -4.8 53.2 31.6 51 90 A I - 0 0 24 -5,-0.4 2,-0.6 1,-0.1 -1,-0.1 -0.417 25.2-102.0 -67.4 140.7 -5.4 51.5 34.9 52 91 A N - 0 0 70 19,-0.2 19,-0.1 1,-0.2 -1,-0.1 -0.535 23.8-157.6 -69.0 111.8 -6.0 47.8 34.7 53 92 A T + 0 0 72 -2,-0.6 2,-0.2 18,-0.1 -1,-0.2 0.408 56.2 120.4 -71.7 4.8 -9.7 47.0 35.0 54 93 A E - 0 0 133 1,-0.1 17,-0.5 15,-0.0 18,-0.1 -0.479 64.3-121.3 -82.1 147.1 -8.8 43.5 36.1 55 94 A Q - 0 0 92 -2,-0.2 2,-0.3 1,-0.1 13,-0.2 -0.008 45.2 -83.2 -66.4 177.6 -9.7 41.8 39.4 56 95 A M - 0 0 82 11,-1.7 2,-0.9 1,-0.0 -1,-0.1 -0.749 16.5-145.0-108.8 146.8 -6.9 40.5 41.7 57 96 A C 0 0 128 -2,-0.3 10,-0.0 1,-0.2 -1,-0.0 -0.823 360.0 360.0 -98.5 95.0 -4.7 37.4 42.0 58 97 A L 0 0 144 -2,-0.9 -1,-0.2 9,-0.0 -2,-0.0 0.746 360.0 360.0 -27.4 360.0 -4.1 36.9 45.7 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 182 A N 0 0 195 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.8 -10.0 40.1 58.1 61 183 A D + 0 0 142 1,-0.2 2,-4.2 2,-0.1 3,-0.2 0.916 360.0 82.0 -81.3 -48.0 -12.8 39.3 55.6 62 184 A S + 0 0 106 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.243 59.3 107.3 -61.7 64.8 -13.4 42.6 53.7 63 185 A V + 0 0 59 -2,-4.2 -1,-0.3 2,-0.1 4,-0.1 -0.017 51.1 88.6-126.3 14.6 -10.5 41.8 51.5 64 186 A A S > S+ 0 0 43 -3,-0.2 4,-1.3 2,-0.2 3,-0.2 0.694 83.7 57.8 -84.2 -24.1 -12.9 41.1 48.7 65 187 A M H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.768 97.9 57.3 -76.4 -27.2 -12.5 44.7 48.0 66 188 A R H 4 S+ 0 0 133 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.693 106.7 52.3 -73.8 -14.1 -8.8 44.2 47.5 67 189 A M H 4 S+ 0 0 80 -3,-0.2 -11,-1.7 2,-0.1 -2,-0.2 0.827 115.7 39.5 -83.0 -38.2 -10.0 41.7 44.9 68 190 A A H < S+ 0 0 0 -4,-1.3 3,-0.2 -13,-0.2 -2,-0.2 0.928 133.0 19.1 -78.5 -51.0 -12.2 44.3 43.2 69 191 A F S X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.192 85.9 115.0-110.4 20.6 -10.0 47.4 43.4 70 192 A G H > S+ 0 0 5 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.883 82.1 45.2 -55.0 -43.6 -6.6 45.9 44.0 71 193 A N H > S+ 0 0 35 -17,-0.5 4,-1.9 -3,-0.2 -1,-0.2 0.820 109.7 55.7 -71.6 -30.4 -5.2 47.1 40.6 72 194 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.979 109.3 46.4 -63.3 -53.9 -6.7 50.5 41.2 73 195 A Y H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.881 110.1 54.2 -54.2 -42.0 -4.8 50.8 44.4 74 196 A A H X S+ 0 0 28 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.3 0.882 106.8 52.6 -61.0 -38.1 -1.7 49.6 42.8 75 197 A A H X S+ 0 0 11 -4,-1.9 4,-2.0 -3,-0.5 -2,-0.2 0.953 110.5 44.4 -63.4 -53.7 -2.0 52.3 40.1 76 198 A F H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.5 53.3 -58.1 -41.9 -2.3 55.2 42.6 77 199 A H H < S+ 0 0 88 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.910 112.5 42.9 -59.5 -42.9 0.5 53.7 44.6 78 200 A K H < S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.720 122.0 41.2 -76.6 -21.7 2.8 53.5 41.5 79 201 A N < + 0 0 72 -4,-2.0 5,-0.5 -5,-0.2 2,-0.3 -0.475 68.2 168.0-125.4 62.8 1.8 57.0 40.3 80 202 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.597 42.5 71.0 -75.2 138.4 1.5 59.4 43.1 81 203 A G B >>S-B 86 0B 8 5,-1.6 4,-2.6 -2,-0.3 5,-1.2 -0.996 97.1 -39.9 157.7-159.2 1.2 63.0 41.8 82 204 A V T 45S+ 0 0 20 -2,-0.3 99,-0.3 3,-0.2 -1,-0.1 0.577 124.4 57.4 -81.1 -9.8 -1.0 65.4 40.0 83 205 A I T 45S+ 0 0 71 -4,-0.1 -1,-0.2 3,-0.1 -35,-0.1 0.928 121.6 27.5 -82.1 -52.6 -2.5 63.0 37.5 84 206 A T T 45S- 0 0 0 -5,-0.5 -2,-0.2 2,-0.2 3,-0.1 0.894 99.6-140.3 -71.2 -38.0 -3.8 60.7 40.3 85 207 A G T <5 + 0 0 0 -4,-2.6 98,-1.2 1,-0.3 2,-0.3 0.804 64.8 113.9 77.7 34.0 -4.1 63.7 42.6 86 208 A S B < -Bc 81 183B 0 -5,-1.2 -5,-1.6 -7,-0.3 -1,-0.3 -0.995 51.8-172.9-142.1 141.9 -2.8 61.5 45.3 87 209 A A > + 0 0 0 96,-2.3 3,-2.4 -2,-0.3 2,-0.3 0.417 46.2 135.0-108.7 -5.2 0.3 61.1 47.5 88 210 A V T 3 S+ 0 0 6 95,-0.6 -2,-0.1 1,-0.3 96,-0.0 -0.273 76.9 14.4 -51.0 106.1 -0.8 57.8 49.0 89 211 A G T 3 S+ 0 0 29 -2,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.536 93.4 140.9 103.8 10.8 2.2 55.6 48.9 90 212 A C < - 0 0 4 -3,-2.4 -1,-0.3 -11,-0.1 3,-0.1 -0.359 54.6-126.3 -84.4 165.4 4.9 58.2 48.3 91 213 A D >> - 0 0 57 1,-0.2 4,-3.1 -2,-0.1 3,-2.5 -0.893 17.1-158.5-109.5 96.2 8.4 58.4 49.8 92 214 A P H 3> S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.841 88.6 66.2 -43.3 -38.2 8.5 61.9 51.2 93 215 A D H 34 S+ 0 0 48 1,-0.2 4,-0.1 2,-0.2 153,-0.1 0.812 121.1 16.5 -57.1 -30.4 12.3 61.7 51.1 94 216 A L H X4 S+ 0 0 58 -3,-2.5 3,-1.3 2,-0.1 4,-0.4 0.771 120.7 60.3-108.7 -43.0 12.2 61.7 47.3 95 217 A F H >X S+ 0 0 10 -4,-3.1 4,-1.8 1,-0.3 3,-1.0 0.722 91.6 70.7 -61.0 -23.7 8.8 62.8 46.3 96 218 A W T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.4 151,-0.1 0.813 92.0 57.9 -66.0 -28.8 9.3 66.2 48.0 97 219 A S T <4 S+ 0 0 21 -3,-1.3 4,-0.3 149,-0.2 -1,-0.3 0.700 109.4 45.9 -74.1 -16.9 11.7 67.3 45.4 98 220 A K T X> S+ 0 0 124 -3,-1.0 3,-1.3 -4,-0.4 4,-1.2 0.861 91.2 76.7 -91.9 -41.7 9.1 66.8 42.7 99 221 A I H >X S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.3 4,-0.6 0.805 94.4 51.3 -37.9 -49.3 6.0 68.4 44.2 100 222 A P H >4 S+ 0 0 41 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.860 108.7 52.0 -60.0 -37.4 7.2 72.0 43.4 101 223 A V H <4 S+ 0 0 124 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.696 110.5 49.0 -73.0 -20.3 7.9 71.1 39.8 102 224 A L H << S+ 0 0 60 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.2 0.477 98.4 88.2 -97.0 -5.3 4.4 69.7 39.5 103 225 A M S << S- 0 0 20 -3,-0.6 78,-0.1 -4,-0.6 4,-0.1 -0.701 75.1-121.1-101.5 150.8 2.6 72.7 41.0 104 226 A E - 0 0 60 76,-0.3 88,-0.1 -2,-0.3 -2,-0.1 -0.326 41.5 -95.1 -75.7 166.6 1.3 75.9 39.4 105 227 A E S S+ 0 0 149 86,-0.1 2,-0.6 1,-0.1 -1,-0.1 0.855 107.7 59.3 -53.8 -45.0 2.7 79.2 40.5 106 228 A K E S-D 192 0B 65 86,-1.8 86,-1.9 119,-0.0 2,-0.2 -0.798 72.0-158.9 -95.7 120.5 -0.1 80.1 43.1 107 229 A L E -D 191 0B 21 -2,-0.6 117,-0.5 117,-0.4 2,-0.3 -0.591 10.8-179.8 -92.1 151.6 -0.6 77.6 45.9 108 230 A F E +D 190 0B 7 82,-2.5 82,-1.0 -2,-0.2 2,-0.3 -0.968 6.3 163.5-150.9 139.1 -3.8 77.3 48.0 109 231 A A E +D 189 0B 11 -2,-0.3 106,-0.4 80,-0.2 2,-0.3 -0.937 6.4 167.5-147.4 169.7 -4.7 75.1 50.9 110 232 A F - 0 0 3 78,-0.5 78,-0.3 -2,-0.3 2,-0.2 -0.932 27.4-114.0-177.2 159.3 -7.1 74.6 53.7 111 233 A D E -F 213 0C 36 102,-2.9 102,-2.5 -2,-0.3 2,-0.3 -0.663 17.7-132.7-106.7 162.9 -8.2 72.0 56.3 112 234 A Y E -F 212 0C 16 -2,-0.2 2,-0.6 100,-0.2 100,-0.2 -0.782 9.4-143.0-108.4 155.9 -11.4 70.1 56.8 113 235 A T S S- 0 0 75 98,-1.7 98,-0.3 -2,-0.3 5,-0.1 -0.961 88.1 -8.2-120.6 108.9 -13.2 69.6 60.1 114 236 A G S > S+ 0 0 46 -2,-0.6 4,-3.2 3,-0.1 5,-0.2 0.923 81.0 178.0 70.5 44.0 -14.7 66.2 60.4 115 237 A Y H >> S+ 0 0 5 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.923 74.6 39.6 -40.7 -75.4 -14.0 65.3 56.8 116 238 A D H 34 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.803 118.9 49.3 -48.4 -38.3 -15.3 61.7 56.7 117 239 A A H 34 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.884 109.5 50.8 -73.1 -37.4 -18.2 62.6 58.9 118 240 A S H << S+ 0 0 26 -4,-3.2 2,-0.6 -3,-0.5 -2,-0.2 0.630 80.0 114.8 -77.3 -14.0 -19.2 65.7 56.8 119 241 A L < - 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0 0 129 -2,-1.0 -7,-0.2 -7,-0.1 -24,-0.1 -0.636 40.0 -73.9-107.2 171.1 -3.6 83.7 54.9 223 365 A T - 0 0 110 -2,-0.2 2,-0.4 -115,-0.1 -1,-0.1 -0.424 47.5-135.2 -64.1 138.1 -1.6 83.3 51.7 224 366 A V + 0 0 25 -117,-0.5 -117,-0.4 -2,-0.1 2,-0.3 -0.824 31.9 170.2 -97.0 133.7 0.0 79.8 51.4 225 367 A T >> - 0 0 42 -2,-0.4 4,-2.5 -119,-0.1 3,-1.3 -0.883 50.8-105.2-138.3 171.4 3.7 79.6 50.3 226 368 A W T 34 S+ 0 0 69 -2,-0.3 10,-0.5 1,-0.3 -1,-0.0 0.713 121.8 58.7 -68.9 -17.0 6.5 77.2 50.0 227 369 A E T 34 S+ 0 0 133 1,-0.1 -1,-0.3 8,-0.1 -3,-0.0 0.626 123.7 17.7 -85.5 -14.5 7.9 78.9 53.1 228 370 A N T <4 S+ 0 0 72 -3,-1.3 -2,-0.2 7,-0.0 2,-0.2 0.403 95.8 108.6-136.0 -1.0 4.8 78.2 55.2 229 371 A V < - 0 0 5 -4,-2.5 7,-0.4 7,-0.1 2,-0.3 -0.520 46.0-163.5 -81.3 148.6 2.9 75.3 53.5 230 372 A T - 0 0 13 -2,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.955 8.7-171.8-130.3 151.2 2.8 71.8 55.0 231 373 A F B > S-G 234 0D 0 3,-2.2 3,-1.7 -2,-0.3 -48,-0.0 -0.965 82.6 -0.3-144.9 123.8 1.9 68.5 53.4 232 374 A L T 3 S- 0 0 3 -2,-0.4 -226,-0.1 1,-0.3 -1,-0.1 0.925 132.2 -63.4 58.9 42.4 1.5 65.4 55.5 233 375 A K T 3 S+ 0 0 88 1,-0.2 2,-0.3 17,-0.1 -1,-0.3 0.493 114.1 119.4 59.6 9.6 2.5 67.7 58.4 234 376 A R B < -G 231 0D 7 -3,-1.7 -3,-2.2 16,-0.2 16,-0.2 -0.783 54.7-141.1-105.7 146.6 5.9 68.3 56.7 235 377 A F E -H 249 0E 63 14,-1.8 14,-1.9 -2,-0.3 2,-0.5 -0.348 20.5-115.7 -91.7 178.3 7.3 71.6 55.5 236 378 A F E +H 248 0E 11 -10,-0.5 2,-0.4 -7,-0.4 -7,-0.1 -0.981 39.0 166.5-120.0 117.7 9.4 72.2 52.3 237 379 A R E -H 247 0E 97 10,-1.7 10,-3.5 -2,-0.5 2,-0.2 -0.990 28.6-134.0-136.3 126.1 13.0 73.3 52.9 238 380 A A E -H 246 0E 53 -2,-0.4 8,-0.2 8,-0.2 6,-0.1 -0.514 30.0-107.2 -78.1 144.8 15.7 73.3 50.2 239 381 A D - 0 0 15 6,-2.5 6,-0.1 3,-0.7 -1,-0.1 -0.305 20.4-131.4 -67.3 153.5 19.1 71.9 51.1 240 382 A E S S+ 0 0 198 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.770 105.0 36.8 -79.4 -23.7 21.8 74.5 51.5 241 383 A K S S+ 0 0 144 1,-0.3 -1,-0.1 4,-0.1 3,-0.1 0.786 132.0 26.7 -97.1 -32.8 24.3 72.7 49.3 242 384 A Y > - 0 0 74 3,-0.1 3,-2.1 1,-0.1 -3,-0.7 -0.761 68.0-179.3-132.1 83.8 21.9 71.4 46.7 243 385 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.653 78.5 68.3 -55.8 -20.8 18.9 73.8 46.6 244 386 A F T 3 S+ 0 0 146 -6,-0.1 2,-0.5 -3,-0.1 -6,-0.0 0.414 87.2 81.3 -83.6 3.8 17.2 71.7 44.0 245 387 A L S < S- 0 0 16 -3,-2.1 -6,-2.5 -6,-0.1 2,-0.6 -0.951 74.5-148.1-112.5 119.7 16.8 69.0 46.6 246 388 A I E -H 238 0E 23 -2,-0.5 -8,-0.2 -8,-0.2 -149,-0.2 -0.794 0.9-147.5 -97.5 123.2 13.8 69.4 48.9 247 389 A H E -H 237 0E 12 -10,-3.5 -10,-1.7 -2,-0.6 2,-0.9 -0.697 14.8-136.0 -83.8 123.9 13.9 68.2 52.5 248 390 A P E -H 236 0E 5 0, 0.0 2,-0.9 0, 0.0 -12,-0.2 -0.766 29.0-156.9 -79.5 110.3 10.5 67.1 53.8 249 391 A V E -H 235 0E 17 -14,-1.9 -14,-1.8 -2,-0.9 30,-0.1 -0.719 13.2-169.4-102.6 95.0 10.7 68.8 57.3 250 392 A M - 0 0 1 -2,-0.9 2,-0.2 28,-0.3 -16,-0.2 -0.542 35.1-107.5 -73.9 136.1 8.6 67.4 60.1 251 393 A P >> - 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.450 14.5-133.2 -68.4 132.4 8.5 69.7 63.1 252 394 A M H 3> S+ 0 0 18 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.851 106.3 67.5 -50.3 -38.1 10.4 68.4 66.2 253 395 A K H 3> S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.863 101.1 46.0 -49.7 -42.4 7.4 69.3 68.2 254 396 A E H <> S+ 0 0 59 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.836 115.5 47.1 -71.6 -34.0 5.5 66.5 66.5 255 397 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 5,-0.2 0.930 106.4 56.0 -71.9 -50.5 8.4 64.1 67.0 256 398 A H H X S+ 0 0 55 -4,-3.6 4,-0.6 1,-0.2 -2,-0.2 0.866 109.0 49.3 -50.6 -41.4 8.9 64.9 70.7 257 399 A E H >< S+ 0 0 47 -4,-1.3 3,-0.7 -5,-0.3 -1,-0.2 0.921 110.3 49.1 -67.6 -42.9 5.3 64.0 71.3 258 400 A S H >< S+ 0 0 21 -4,-1.3 3,-1.7 1,-0.2 -2,-0.2 0.861 103.6 58.9 -65.5 -38.4 5.4 60.7 69.5 259 401 A I H 3< S+ 0 0 1 -4,-2.5 -240,-0.4 1,-0.3 -1,-0.2 0.722 92.8 70.0 -66.3 -19.1 8.6 59.5 71.2 260 402 A R T << S+ 0 0 26 -3,-0.7 -243,-1.8 -4,-0.6 2,-0.3 0.399 101.8 50.1 -79.0 1.8 6.8 59.8 74.6 261 403 A W E < +A 16 0A 53 -3,-1.7 2,-0.3 -245,-0.3 -243,-0.1 -0.883 58.0 170.1-136.1 170.3 4.6 56.9 73.8 262 404 A T E -A 15 0A 8 -247,-1.8 -247,-3.1 -2,-0.3 -3,-0.0 -0.978 37.4-128.0-169.5 165.2 4.8 53.3 72.5 263 405 A K S S- 0 0 131 1,-0.5 -1,-0.1 -2,-0.3 -246,-0.0 0.786 96.4 -9.8 -89.1 -33.9 2.8 50.1 72.0 264 406 A D > - 0 0 61 -249,-0.1 3,-1.8 -3,-0.1 -1,-0.5 -0.959 67.8-114.0-162.2 146.5 5.2 47.9 73.8 265 407 A P T 3 S+ 0 0 87 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.664 112.4 70.4 -63.7 -10.2 8.7 48.5 75.2 266 408 A R T 3 S+ 0 0 212 1,-0.2 4,-0.1 2,-0.1 -4,-0.0 0.312 97.7 47.2 -87.8 7.2 9.8 46.0 72.6 267 409 A N S <> S+ 0 0 63 -3,-1.8 4,-3.3 2,-0.1 5,-0.3 0.363 78.9 98.5-123.5 -3.4 9.1 48.4 69.7 268 410 A T H > S+ 0 0 11 -3,-0.4 4,-2.6 -4,-0.4 5,-0.2 0.875 83.2 54.9 -53.4 -38.5 10.8 51.4 71.2 269 411 A Q H > S+ 0 0 45 -4,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.910 114.3 37.9 -62.7 -45.5 13.9 50.5 69.0 270 412 A D H > S+ 0 0 75 -3,-0.2 4,-2.4 2,-0.2 3,-0.3 0.951 116.7 51.2 -70.5 -50.0 11.9 50.5 65.8 271 413 A H H X S+ 0 0 42 -4,-3.3 4,-2.2 1,-0.3 -2,-0.2 0.880 111.2 47.5 -54.1 -43.4 9.7 53.4 66.7 272 414 A V H X S+ 0 0 1 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.3 0.790 108.7 55.9 -70.3 -27.3 12.7 55.6 67.6 273 415 A R H X S+ 0 0 97 -4,-1.0 4,-1.6 -3,-0.3 3,-0.5 0.945 106.5 50.3 -66.7 -48.0 14.3 54.5 64.3 274 416 A S H >X S+ 0 0 40 -4,-2.4 4,-1.2 1,-0.3 3,-0.8 0.954 109.7 50.5 -51.9 -56.4 11.3 55.8 62.5 275 417 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.3 -1,-0.3 0.756 106.9 53.6 -58.5 -28.0 11.5 59.1 64.3 276 418 A C H 3X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.5 -1,-0.3 0.815 102.8 58.7 -76.7 -28.1 15.2 59.6 63.5 277 419 A L H << S+ 0 0 56 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.821 116.9 33.0 -69.5 -27.8 14.4 59.1 59.8 278 420 A L H >< S+ 0 0 21 -4,-1.2 3,-1.4 -5,-0.2 -28,-0.3 0.890 116.3 58.8 -88.0 -47.6 12.0 62.0 60.0 279 421 A A H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 4,-0.2 0.781 90.5 65.7 -53.4 -39.7 14.0 63.9 62.6 280 422 A W G >< S+ 0 0 7 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.680 85.0 73.2 -63.0 -21.2 17.3 64.3 60.8 281 423 A H G < S+ 0 0 9 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.670 81.7 73.6 -66.5 -15.8 15.9 66.6 58.0 282 424 A N G < S- 0 0 45 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.651 115.9 -92.4 -72.5 -14.7 15.7 69.4 60.6 283 425 A G <> - 0 0 20 -3,-1.5 4,-2.4 -4,-0.2 -1,-0.3 -0.394 35.7 -81.3 119.6 161.3 19.5 69.8 60.4 284 426 A E H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.982 122.5 52.9 -62.2 -62.8 22.4 68.4 62.3 285 427 A E H > S+ 0 0 152 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.857 115.5 44.8 -41.2 -44.0 22.5 70.7 65.3 286 428 A E H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.935 112.4 49.5 -67.6 -49.8 18.8 69.7 65.8 287 429 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 110.9 49.8 -57.7 -45.9 19.3 66.0 65.3 288 430 A N H X S+ 0 0 72 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.871 109.9 49.5 -64.5 -38.8 22.2 65.8 67.7 289 431 A K H X S+ 0 0 108 -4,-1.5 4,-2.2 -5,-0.4 -1,-0.2 0.929 109.9 54.7 -64.1 -41.6 20.3 67.6 70.5 290 432 A F H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.909 112.1 40.8 -55.8 -46.1 17.5 65.2 69.8 291 433 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.857 107.3 63.5 -72.1 -36.0 19.8 62.2 70.3 292 434 A A H < S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.933 107.3 43.9 -52.4 -48.1 21.5 63.8 73.2 293 435 A K H >< S+ 0 0 99 -4,-2.2 3,-2.8 1,-0.2 -1,-0.2 0.943 108.0 55.6 -64.7 -48.7 18.1 63.7 75.0 294 436 A I H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.3 6,-0.3 0.877 108.9 51.3 -50.4 -37.9 17.2 60.2 74.0 295 437 A R T 3< S+ 0 0 112 -4,-2.3 -1,-0.3 5,-0.2 -2,-0.2 0.254 85.8 85.5 -85.1 10.7 20.6 59.2 75.6 296 438 A S T < S+ 0 0 63 -3,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 0.264 90.1 54.8 -94.5 10.7 19.8 61.0 78.9 297 439 A V S <> S- 0 0 24 -3,-0.7 4,-1.5 1,-0.1 3,-0.2 -0.976 94.4-112.2-139.1 148.0 18.0 57.9 80.1 298 440 A P H >> S+ 0 0 98 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.900 113.3 47.9 -46.7 -57.8 19.3 54.3 80.3 299 441 A I H >4 S+ 0 0 88 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.879 108.5 56.7 -55.8 -39.1 17.1 52.7 77.6 300 442 A G H >4 S+ 0 0 0 -6,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.862 103.0 54.0 -61.4 -36.3 18.0 55.6 75.2 301 443 A R H << S+ 0 0 152 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.676 105.7 54.3 -72.6 -16.8 21.7 54.9 75.5 302 444 A A T << S+ 0 0 79 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.3 0.328 90.4 101.3 -96.9 6.2 21.1 51.3 74.6 303 445 A L S < S- 0 0 22 -3,-1.3 2,-0.7 -4,-0.2 -34,-0.0 -0.719 77.0-119.4 -96.3 142.1 19.3 52.1 71.3 304 446 A L + 0 0 128 -2,-0.3 -2,-0.1 2,-0.0 -3,-0.0 -0.687 38.1 178.9 -76.9 115.1 20.8 52.0 67.9 305 447 A L - 0 0 18 -2,-0.7 2,-0.1 -29,-0.0 -32,-0.1 -0.976 26.3-126.8-125.5 118.0 20.6 55.6 66.6 306 448 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.372 26.8-119.2 -63.8 130.6 22.0 56.4 63.1 307 449 A E >> - 0 0 87 -2,-0.1 4,-1.2 1,-0.1 3,-1.1 -0.530 24.3-114.1 -78.0 137.9 24.4 59.3 63.0 308 450 A Y H >> S+ 0 0 29 1,-0.2 4,-2.6 -2,-0.2 3,-0.8 0.810 106.9 55.6 -30.2 -69.5 23.4 62.4 60.9 309 451 A S H 3> S+ 0 0 35 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.813 105.5 51.9 -41.9 -45.5 26.1 62.3 58.2 310 452 A T H <> S+ 0 0 66 -3,-1.1 4,-2.3 1,-0.2 -1,-0.3 0.913 112.1 47.0 -63.5 -39.0 25.3 58.7 57.1 311 453 A L H X S+ 0 0 8 -4,-2.0 3,-1.5 2,-0.2 4,-0.5 0.935 106.8 50.4 -57.3 -49.3 19.9 60.6 51.0 316 458 A L H >< S+ 0 0 34 -4,-2.2 3,-2.7 1,-0.3 -2,-0.2 0.979 109.9 50.6 -52.9 -58.4 22.0 62.4 48.4 317 459 A D H 3< S+ 0 0 136 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.603 96.8 71.9 -54.9 -12.2 23.0 59.1 46.8 318 460 A S H << 0 0 56 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.684 360.0 360.0 -80.9 -14.7 19.3 58.2 46.7 319 461 A F << 0 0 119 -3,-2.7 -2,-0.2 -4,-0.5 -1,-0.2 0.864 360.0 360.0 -91.0 360.0 18.7 60.7 43.9