==== 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 TRANSFERASE 03-OCT-06 2IM2 . COMPND 2 MOLECULE: POLIOVIRUS POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR A.A.THOMPSON,O.B.PEERSEN . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 5 1.1 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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 6 2 1 1 1 0 2 2 1 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 1 A G 0 0 0 0, 0.0 63,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.0 220.3 -60.8 -14.9 2 2 A E E -A 283 0A 82 281,-1.5 281,-3.9 282,-0.3 2,-0.6 -0.955 360.0-126.4-156.9 133.5 221.3 -62.2 -18.3 3 3 A I E -A 282 0A 45 -2,-0.3 279,-0.3 59,-0.3 3,-0.1 -0.688 18.5-169.4 -80.2 120.0 224.6 -62.8 -20.1 4 4 A Q E - 0 0 80 277,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.892 67.7 -17.3 -77.7 -41.3 224.5 -61.0 -23.5 5 5 A W E -A 281 0A 105 276,-1.0 276,-2.5 2,-0.0 2,-0.3 -0.978 55.0-164.7-162.8 155.1 227.6 -62.7 -24.9 6 6 A M E +A 280 0A 70 -2,-0.3 274,-0.3 274,-0.2 272,-0.0 -0.995 21.7 146.6-143.5 141.8 230.6 -64.7 -23.8 7 7 A R E -A 279 0A 112 272,-3.2 272,-3.6 -2,-0.3 2,-0.2 -0.987 51.5 -52.1-166.2 171.5 233.8 -65.5 -25.7 8 8 A P E >> -A 278 0A 44 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.340 41.8-141.4 -56.2 119.9 237.6 -66.2 -25.6 9 9 A S T 34>S+ 0 0 0 268,-3.3 5,-3.6 1,-0.3 3,-0.3 0.671 98.7 64.5 -56.9 -21.1 239.4 -63.3 -23.8 10 10 A K T >45S+ 0 0 178 267,-0.4 3,-1.5 3,-0.2 -1,-0.3 0.876 92.1 62.9 -71.5 -35.9 242.3 -63.5 -26.2 11 11 A E T <45S+ 0 0 115 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 112.7 36.2 -57.3 -28.3 239.9 -62.5 -29.1 12 12 A V T 3<5S- 0 0 49 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.240 123.8 -95.3-112.4 13.3 239.4 -59.1 -27.2 13 13 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.822 78.3 134.1 80.7 32.5 242.8 -58.5 -25.8 14 14 A Y < - 0 0 62 -5,-3.6 -1,-0.3 263,-0.1 2,-0.2 -0.952 51.9-124.1-120.5 137.0 242.4 -60.0 -22.3 15 15 A P - 0 0 50 0, 0.0 261,-0.1 0, 0.0 107,-0.0 -0.544 35.4-100.0 -77.0 136.5 244.8 -62.3 -20.5 16 16 A I - 0 0 107 -2,-0.2 2,-0.5 1,-0.1 261,-0.3 -0.213 39.0-125.3 -53.6 143.5 243.6 -65.6 -19.1 17 17 A I - 0 0 5 259,-3.3 2,-0.5 261,-0.1 -1,-0.1 -0.860 15.7-139.9-100.5 123.9 242.8 -65.5 -15.4 18 18 A N + 0 0 143 -2,-0.5 258,-0.0 103,-0.1 3,-0.0 -0.702 23.8 175.8 -86.4 124.7 244.5 -68.0 -13.1 19 19 A A - 0 0 28 -2,-0.5 -2,-0.0 24,-0.0 138,-0.0 -0.996 39.0-103.3-129.8 126.5 242.4 -69.4 -10.3 20 20 A P - 0 0 106 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.116 23.2-154.5 -46.0 140.8 243.6 -72.1 -8.0 21 21 A S S S+ 0 0 87 2,-0.1 2,-0.5 1,-0.1 22,-0.2 0.547 72.9 71.4 -96.8 -9.7 242.2 -75.5 -8.9 22 22 A K S S- 0 0 170 21,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.923 81.6-122.2-115.7 132.0 242.5 -76.9 -5.4 23 23 A T - 0 0 44 -2,-0.5 -2,-0.1 1,-0.1 19,-0.0 -0.147 5.4-143.8 -62.0 158.4 240.4 -76.0 -2.4 24 24 A K S S+ 0 0 151 2,-0.0 2,-0.7 382,-0.0 -1,-0.1 0.238 70.9 106.0-106.7 10.4 242.1 -74.7 0.8 25 25 A L + 0 0 20 378,-0.1 380,-0.2 136,-0.1 -2,-0.1 -0.827 42.7 165.3 -96.8 114.0 239.5 -76.5 2.9 26 26 A E E -F 404 0B 109 378,-2.5 378,-2.1 -2,-0.7 380,-0.1 -0.919 47.1 -82.0-126.4 152.6 240.8 -79.6 4.7 27 27 A P E -F 403 0B 65 0, 0.0 376,-0.3 0, 0.0 2,-0.2 -0.169 51.8-136.6 -50.7 143.9 239.3 -81.6 7.6 28 28 A S > - 0 0 16 374,-1.9 3,-3.2 1,-0.1 4,-0.3 -0.544 28.9 -92.9-102.3 171.0 240.1 -80.0 10.9 29 29 A A T 3 S+ 0 0 45 1,-0.3 3,-0.2 -2,-0.2 413,-0.1 0.712 130.5 49.5 -52.9 -19.7 241.3 -81.4 14.3 30 30 A F T >> S+ 0 0 5 371,-0.5 4,-1.3 1,-0.2 3,-0.5 0.286 75.6 111.9-105.1 10.0 237.5 -81.5 15.0 31 31 A H T <4 S+ 0 0 21 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.1 0.821 88.9 29.5 -52.3 -39.9 236.4 -83.2 11.8 32 32 A Y T 34 S+ 0 0 205 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.520 109.6 69.1-100.9 -6.3 235.4 -86.5 13.5 33 33 A V T <4 S+ 0 0 40 -3,-0.5 2,-0.3 -4,-0.1 -2,-0.2 0.717 105.6 38.8 -81.1 -23.9 234.4 -85.0 16.9 34 34 A F S < S- 0 0 10 -4,-1.3 2,-0.1 364,-0.1 -1,-0.0 -0.874 84.2-114.2-125.9 159.7 231.4 -83.2 15.4 35 35 A E + 0 0 167 -2,-0.3 2,-0.2 2,-0.0 367,-0.1 -0.452 42.8 142.0 -89.0 165.0 228.8 -84.1 12.8 36 36 A G - 0 0 22 -2,-0.1 360,-0.0 1,-0.1 359,-0.0 -0.812 36.9-154.9 167.8 153.4 228.3 -82.5 9.4 37 37 A V + 0 0 103 -2,-0.2 128,-0.3 2,-0.0 2,-0.3 0.252 59.8 104.8-128.8 10.5 227.4 -83.2 5.8 38 38 A K - 0 0 63 126,-0.1 126,-0.2 127,-0.1 124,-0.1 -0.671 41.8-175.6 -98.5 153.2 229.0 -80.4 3.8 39 39 A E E -G 163 0C 46 124,-2.1 124,-2.7 -2,-0.3 122,-0.1 -0.812 41.3 -68.4-134.2 172.9 232.1 -80.5 1.7 40 40 A P E -G 162 0C 11 0, 0.0 122,-0.2 0, 0.0 2,-0.1 -0.320 59.7-105.3 -64.5 150.9 234.2 -78.0 -0.3 41 41 A A - 0 0 2 120,-2.3 2,-0.1 118,-0.1 127,-0.1 -0.441 40.5 -90.5 -77.2 151.2 232.4 -76.5 -3.3 42 42 A V + 0 0 0 125,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.396 41.4 179.4 -60.7 130.3 233.4 -77.6 -6.8 43 43 A L + 0 0 17 -22,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.504 62.2 30.8-111.1 -9.5 236.1 -75.3 -8.1 44 44 A T S > S- 0 0 21 -23,-0.1 3,-1.3 1,-0.0 -1,-0.2 -0.977 75.3-115.4-148.7 160.8 236.6 -76.9 -11.6 45 45 A K T 3 S+ 0 0 74 -2,-0.3 9,-0.1 1,-0.3 -1,-0.0 0.660 108.9 67.2 -66.8 -20.3 234.9 -78.9 -14.3 46 46 A N T 3 + 0 0 133 3,-0.0 -1,-0.3 8,-0.0 -4,-0.0 0.241 67.0 131.0 -88.1 12.1 237.1 -81.9 -13.7 47 47 A D X - 0 0 30 -3,-1.3 3,-2.3 1,-0.2 -5,-0.1 -0.574 54.2-146.1 -75.2 116.5 235.6 -82.6 -10.2 48 48 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.716 97.3 64.6 -48.7 -27.6 234.7 -86.3 -10.0 49 49 A R T 3 S+ 0 0 57 2,-0.0 -2,-0.1 119,-0.0 119,-0.1 0.790 79.2 109.3 -71.1 -28.4 231.8 -85.3 -7.8 50 50 A L < - 0 0 30 -3,-2.3 119,-0.2 1,-0.1 120,-0.2 -0.131 41.5-178.8 -53.0 140.4 230.1 -83.4 -10.6 51 51 A K S S+ 0 0 152 118,-1.8 2,-0.3 1,-0.2 -1,-0.1 -0.058 71.8 23.3-129.6 26.8 226.9 -84.8 -12.2 52 52 A T S S- 0 0 61 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.897 104.3 -60.1 179.2 158.1 226.4 -82.1 -14.8 53 53 A D > - 0 0 89 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.222 39.4-145.6 -54.9 136.3 228.5 -79.5 -16.6 54 54 A F H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.951 94.8 47.9 -68.3 -53.2 230.2 -77.0 -14.3 55 55 A E H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 110.5 52.1 -56.6 -45.9 230.0 -73.9 -16.6 56 56 A E H 4 S+ 0 0 130 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.872 114.6 45.3 -59.8 -35.5 226.3 -74.4 -17.3 57 57 A A H >< S+ 0 0 10 -4,-1.1 3,-0.8 -3,-0.2 4,-0.2 0.938 109.5 48.9 -75.9 -50.6 225.7 -74.7 -13.6 58 58 A I H 3< S+ 0 0 5 -4,-2.9 3,-0.4 1,-0.2 117,-0.2 0.812 119.1 41.6 -63.3 -26.3 227.6 -71.7 -12.2 59 59 A F T >< S+ 0 0 20 -4,-1.7 3,-1.7 -5,-0.3 -1,-0.2 0.528 87.0 89.9 -98.4 -4.5 226.1 -69.4 -14.8 60 60 A S T < + 0 0 51 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.546 67.2 84.9 -68.0 -3.9 222.5 -70.8 -14.6 61 61 A K T 3 + 0 0 59 -3,-0.4 2,-1.8 -4,-0.2 -1,-0.3 0.748 68.8 83.7 -68.7 -22.3 221.9 -68.2 -11.9 62 62 A Y < + 0 0 27 -3,-1.7 -59,-0.3 1,-0.2 -1,-0.2 -0.556 55.1 170.3 -85.0 78.1 221.2 -65.6 -14.6 63 63 A V - 0 0 107 -2,-1.8 -1,-0.2 1,-0.2 2,-0.2 0.500 49.1-104.1 -65.8 -7.4 217.6 -66.5 -15.1 64 64 A G - 0 0 13 -63,-2.6 2,-0.6 175,-0.4 -1,-0.2 -0.560 38.7 -62.7 112.6-179.3 217.0 -63.5 -17.4 65 65 A N - 0 0 38 -2,-0.2 286,-0.1 1,-0.1 176,-0.1 -0.937 40.2-176.8-114.5 110.7 215.4 -60.0 -17.1 66 66 A K + 0 0 131 -2,-0.6 2,-0.3 174,-0.4 285,-0.2 0.848 65.1 42.6 -76.4 -37.0 211.7 -60.2 -16.5 67 67 A I - 0 0 25 283,-0.3 177,-0.5 1,-0.1 178,-0.1 -0.823 52.3-171.7-115.4 154.7 210.8 -56.5 -16.5 68 68 A T + 0 0 117 -2,-0.3 2,-0.2 175,-0.1 -1,-0.1 0.828 66.7 34.4-106.9 -49.1 211.9 -53.7 -18.8 69 69 A E S S- 0 0 150 174,-0.0 2,-0.7 178,-0.0 175,-0.1 -0.470 81.0-105.6-103.6 176.3 210.6 -50.4 -17.4 70 70 A V - 0 0 17 -2,-0.2 175,-0.0 -3,-0.1 174,-0.0 -0.924 47.6-153.6 -99.9 112.9 210.0 -48.9 -14.0 71 71 A D > - 0 0 49 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.024 30.3 -86.0 -81.6-172.0 206.2 -49.0 -13.5 72 72 A E H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.900 126.0 48.7 -60.7 -45.3 203.8 -46.9 -11.5 73 73 A Y H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 110.3 50.4 -62.6 -46.9 204.2 -49.1 -8.3 74 74 A M H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.916 109.2 52.5 -58.4 -43.1 208.0 -49.1 -8.5 75 75 A K H X S+ 0 0 113 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.875 110.3 47.4 -62.2 -36.6 208.0 -45.3 -8.8 76 76 A E H X S+ 0 0 105 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.927 109.9 52.6 -70.2 -43.0 205.8 -44.9 -5.8 77 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.939 108.7 52.2 -54.0 -49.0 208.1 -47.3 -3.9 78 78 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.931 108.7 48.9 -53.5 -51.8 211.0 -45.1 -4.9 79 79 A D H X S+ 0 0 82 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.912 113.6 46.4 -57.4 -46.4 209.3 -41.9 -3.6 80 80 A H H X S+ 0 0 33 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.961 115.8 42.4 -63.0 -54.5 208.5 -43.4 -0.3 81 81 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-0.4 0.957 115.2 50.5 -56.6 -53.1 211.9 -45.1 0.5 82 82 A A H X S+ 0 0 2 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.3 0.812 107.2 57.1 -54.5 -31.6 213.7 -42.0 -0.7 83 83 A G H X S+ 0 0 39 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.3 0.927 108.4 44.9 -66.1 -45.0 211.4 -40.0 1.6 84 84 A Q H >< S+ 0 0 28 -4,-1.9 3,-1.0 -3,-0.4 -2,-0.2 0.911 111.2 51.5 -63.8 -47.3 212.5 -42.0 4.6 85 85 A L H ><>S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.3 5,-0.6 0.829 99.0 68.6 -61.2 -29.3 216.2 -41.8 3.7 86 86 A M H ><5S+ 0 0 91 -4,-1.4 3,-1.8 -5,-0.3 -1,-0.3 0.881 87.6 65.7 -56.2 -39.3 215.7 -38.1 3.4 87 87 A S T <<5S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.295 89.7 67.2 -69.4 10.8 215.1 -37.9 7.2 88 88 A L T < 5S- 0 0 38 -3,-1.7 -1,-0.3 117,-0.1 -2,-0.2 0.438 94.4-135.0-108.8 -2.4 218.7 -38.9 7.8 89 89 A D T < 5 - 0 0 150 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.827 29.0-160.2 52.5 32.3 220.4 -35.8 6.4 90 90 A I < - 0 0 19 -5,-0.6 2,-0.5 1,-0.1 -1,-0.2 -0.185 22.8-112.3 -46.7 126.2 222.8 -38.1 4.7 91 91 A N - 0 0 78 102,-0.3 -1,-0.1 -3,-0.2 102,-0.1 -0.533 26.6-162.1 -66.9 115.3 225.9 -36.0 3.8 92 92 A T + 0 0 64 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.454 50.4 116.3 -80.0 -2.4 225.9 -35.8 -0.0 93 93 A E - 0 0 131 1,-0.1 100,-0.4 100,-0.0 2,-0.0 -0.167 70.0-107.2 -65.4 161.0 229.5 -34.7 -0.2 94 94 A Q - 0 0 118 98,-0.1 2,-0.5 99,-0.1 96,-0.2 -0.255 34.8-113.3 -78.6 172.5 232.2 -36.8 -1.9 95 95 A M - 0 0 7 94,-2.0 97,-0.1 -2,-0.0 96,-0.1 -0.955 25.2-115.4-118.0 128.9 234.8 -38.6 0.2 96 96 A X > - 0 0 154 -2,-0.5 4,-2.2 1,-0.1 5,-0.3 -0.261 29.8-112.9 -59.6 140.1 238.5 -37.8 0.2 97 97 A L H > S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 5,-0.2 0.727 114.9 56.5 -45.0 -30.2 240.8 -40.5 -1.2 98 98 A E H >> S+ 0 0 68 2,-0.2 4,-3.1 1,-0.2 3,-1.0 0.986 108.9 42.3 -69.4 -58.7 242.3 -40.9 2.3 99 99 A D H 3> S+ 0 0 23 1,-0.3 4,-1.3 -3,-0.2 -2,-0.2 0.852 112.5 56.0 -55.8 -36.1 239.1 -41.7 4.1 100 100 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.778 117.2 34.6 -68.4 -26.6 237.9 -43.9 1.3 101 101 A M H << S+ 0 0 1 -3,-1.0 9,-2.3 -4,-1.0 -2,-0.2 0.867 133.7 23.3 -94.6 -45.0 241.1 -46.0 1.5 102 102 A Y H < S- 0 0 21 -4,-3.1 7,-0.4 7,-0.2 -3,-0.2 0.251 106.1-134.4-107.7 10.4 241.8 -46.1 5.3 103 103 A G < - 0 0 6 -4,-1.3 2,-0.2 -5,-0.4 5,-0.2 0.361 16.8-144.9 59.9 168.2 238.3 -45.3 6.4 104 104 A T B > -H 107 0D 60 3,-1.0 3,-2.5 1,-0.1 0, 0.0 -0.782 54.9 -28.2-150.0-172.3 236.8 -42.9 9.0 105 105 A D T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 95,-0.1 -0.217 132.6 12.5 -50.9 130.2 233.8 -43.0 11.4 106 106 A G T 3 S+ 0 0 21 93,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.230 119.3 74.8 87.1 -15.5 231.1 -45.3 10.0 107 107 A L B < -H 104 0D 13 -3,-2.5 -3,-1.0 92,-0.1 2,-0.1 -0.985 69.4-141.1-136.7 127.0 233.3 -46.8 7.3 108 108 A E - 0 0 167 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.381 32.5 -95.8 -81.0 161.1 236.1 -49.4 7.7 109 109 A A - 0 0 51 -7,-0.4 -7,-0.2 1,-0.2 -1,-0.1 -0.182 56.3 -76.9 -67.9 167.4 239.4 -49.4 5.7 110 110 A L - 0 0 20 -9,-2.3 2,-0.6 1,-0.1 -1,-0.2 -0.365 50.0-110.6 -66.4 147.0 239.7 -51.4 2.6 111 111 A D > - 0 0 91 1,-0.1 3,-0.7 -3,-0.1 -1,-0.1 -0.730 22.5-162.6 -87.3 119.0 240.2 -55.1 3.1 112 112 A L T 3 S+ 0 0 67 -2,-0.6 15,-0.3 1,-0.2 16,-0.2 0.580 80.7 68.1 -74.7 -12.8 243.7 -56.3 2.1 113 113 A S T 3 S+ 0 0 89 14,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.716 84.3 82.8 -82.8 -21.1 242.8 -60.0 1.9 114 114 A T S < S- 0 0 77 -3,-0.7 13,-0.2 1,-0.1 0, 0.0 -0.526 94.8 -76.5 -88.2 154.1 240.5 -59.8 -1.2 115 115 A S - 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0 0 32 -380,-0.1 3,-2.5 1,-0.0 -1,-0.3 -0.632 59.0-150.1-173.2 108.9 244.8 -72.3 7.7 407 407 A P G > S+ 0 0 86 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.708 97.9 69.7 -53.8 -23.5 245.9 -74.0 11.0 408 408 A R G 3 S+ 0 0 205 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.757 99.4 47.7 -68.2 -24.7 247.4 -70.7 12.0 409 409 A N G <> S+ 0 0 82 -3,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.157 77.7 106.6-102.9 18.8 243.8 -69.2 12.3 410 410 A T H <> S+ 0 0 24 -3,-1.3 4,-2.2 2,-0.2 5,-0.3 0.878 78.8 52.2 -64.5 -38.1 242.4 -72.1 14.4 411 411 A Q H > S+ 0 0 63 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.964 115.4 40.6 -61.2 -52.5 242.4 -70.0 17.6 412 412 A D H > S+ 0 0 100 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.894 113.9 52.5 -64.5 -43.2 240.5 -67.2 15.9 413 413 A H H X S+ 0 0 58 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.938 115.3 40.2 -60.0 -48.0 238.1 -69.5 14.0 414 414 A V H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.870 113.1 54.6 -70.5 -37.0 237.1 -71.5 17.0 415 415 A R H X S+ 0 0 70 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.939 108.5 50.6 -60.0 -46.4 236.9 -68.4 19.2 416 416 A S H X S+ 0 0 69 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.900 108.5 50.7 -57.1 -45.8 234.5 -66.8 16.7 417 417 A L H >X S+ 0 0 12 -4,-1.8 4,-3.1 1,-0.2 3,-0.6 0.853 106.4 56.4 -63.6 -33.4 232.3 -69.8 16.7 418 418 A C H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.873 101.1 56.6 -65.5 -36.7 232.2 -69.7 20.5 419 419 A L H 3< S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.700 115.9 37.2 -68.6 -18.8 230.9 -66.1 20.3 420 420 A L H X< S+ 0 0 49 -4,-0.8 3,-0.8 -3,-0.6 -28,-0.5 0.829 115.1 56.0 -95.1 -43.7 228.0 -67.3 18.2 421 421 A A H >< S+ 0 0 0 -4,-3.1 3,-2.3 1,-0.2 -2,-0.2 0.846 91.1 65.5 -57.3 -47.7 227.5 -70.6 20.0 422 422 A W G >< S+ 0 0 6 -4,-2.1 3,-2.3 1,-0.3 7,-0.2 0.744 83.2 76.3 -54.7 -25.9 227.0 -69.6 23.6 423 423 A H G < S+ 0 0 9 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.603 82.1 72.8 -62.6 -7.5 223.7 -67.8 22.9 424 424 A N G < S- 0 0 51 -3,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.391 116.7 -88.7 -85.4 1.3 222.3 -71.4 22.7 425 425 A G <> - 0 0 25 -3,-2.3 4,-2.8 2,-0.1 -1,-0.3 -0.017 35.2 -82.4 106.7 150.5 222.5 -71.7 26.5 426 426 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.900 123.3 53.0 -54.6 -47.7 225.0 -72.8 29.1 427 427 A E H > S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.948 114.4 41.2 -55.6 -51.7 224.3 -76.5 28.8 428 428 A E H > S+ 0 0 72 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.904 114.3 52.7 -63.3 -43.8 224.8 -76.5 25.0 429 429 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 -7,-0.2 -1,-0.2 0.916 108.7 48.4 -60.5 -45.8 227.9 -74.3 25.2 430 430 A N H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.821 109.6 52.6 -66.1 -31.0 229.6 -76.4 27.8 431 431 A K H X S+ 0 0 101 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.855 110.6 49.8 -68.5 -35.6 228.9 -79.6 25.7 432 432 A F H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.955 112.4 45.3 -66.6 -51.5 230.5 -77.7 22.7 433 433 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.879 109.1 57.8 -59.6 -40.2 233.6 -76.7 24.8 434 434 A A H < S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.940 108.6 44.4 -56.6 -50.9 233.9 -80.3 26.1 435 435 A K H >< S+ 0 0 84 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.897 110.3 54.6 -62.9 -41.2 234.1 -81.8 22.7 436 436 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.3 6,-0.4 0.929 110.4 48.2 -58.1 -41.6 236.6 -79.1 21.5 437 437 A R T 3< S+ 0 0 79 -4,-2.4 -1,-0.3 5,-0.2 -2,-0.2 0.315 89.4 85.5 -81.9 10.2 238.7 -80.1 24.5 438 438 A S T < S+ 0 0 65 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 0.262 91.3 46.5 -94.9 11.4 238.5 -83.8 23.7 439 439 A V S <> S- 0 0 26 -3,-0.8 4,-1.9 1,-0.1 3,-0.4 -0.970 94.5-105.5-145.8 152.9 241.4 -83.6 21.3 440 440 A P H > S+ 0 0 94 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.872 114.0 53.6 -46.5 -53.9 244.9 -82.0 21.6 441 441 A I H 4 S+ 0 0 84 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.894 111.4 47.2 -53.4 -43.7 244.3 -79.0 19.4 442 442 A G H >4 S+ 0 0 0 -3,-0.4 3,-1.7 -6,-0.4 -5,-0.2 0.907 106.4 56.5 -66.0 -42.4 241.2 -78.0 21.3 443 443 A R H 3< S+ 0 0 145 -4,-1.9 -1,-0.2 -7,-0.3 -2,-0.2 0.745 104.8 54.4 -62.0 -22.6 242.8 -78.3 24.7 444 444 A A T 3< S+ 0 0 87 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.493 89.1 102.0 -90.8 -3.6 245.5 -75.9 23.7 445 445 A L S < S- 0 0 24 -3,-1.7 2,-1.0 -4,-0.3 -34,-0.0 -0.496 73.4-128.1 -82.6 150.7 243.1 -73.1 22.7 446 446 A D + 0 0 117 -2,-0.2 -2,-0.1 2,-0.0 -3,-0.1 -0.808 42.1 172.5 -98.5 93.5 242.2 -70.1 24.8 447 447 A L - 0 0 10 -2,-1.0 2,-0.1 -14,-0.0 -32,-0.0 -0.874 30.9-118.5-112.3 139.9 238.4 -70.2 24.9 448 448 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.421 26.9-126.7 -73.0 140.3 235.9 -68.1 27.0 449 449 A E > - 0 0 77 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.478 26.8-106.0 -83.7 159.6 233.7 -69.8 29.5 450 450 A Y H > S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.919 117.3 52.0 -48.6 -57.5 229.9 -69.3 29.5 451 451 A S H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 108.2 51.7 -48.8 -49.0 229.8 -67.1 32.5 452 452 A T H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 113.6 44.6 -58.2 -42.1 232.5 -64.7 31.1 453 453 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.952 114.9 47.2 -68.1 -48.6 230.6 -64.4 27.8 454 454 A Y H X S+ 0 0 18 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.887 112.4 48.4 -60.7 -44.2 227.2 -63.9 29.5 455 455 A D H X S+ 0 0 88 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.904 111.4 50.4 -63.5 -42.8 228.3 -61.3 32.0 456 456 A R H X S+ 0 0 126 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.911 109.1 53.3 -61.2 -42.5 230.1 -59.4 29.3 457 457 A W H >X S+ 0 0 8 -4,-2.2 3,-1.2 1,-0.2 4,-0.6 0.959 105.9 51.9 -58.1 -54.0 226.9 -59.4 27.2 458 458 A L H >< S+ 0 0 39 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.876 112.1 46.6 -51.1 -43.3 224.8 -58.0 30.0 459 459 A D H 3< S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.664 96.6 75.2 -75.7 -17.0 227.2 -55.1 30.5 460 460 A S H << 0 0 55 -4,-1.2 -1,-0.2 -3,-1.2 -2,-0.2 0.673 360.0 360.0 -70.2 -21.1 227.5 -54.3 26.7 461 461 A F << 0 0 119 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.585 360.0 360.0 -73.0 360.0 224.1 -52.7 26.4