==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 14-JAN-13 4IQX . COMPND 2 MOLECULE: 3D POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FOOT-AND-MOUTH DISEASE VIRUS - TYPE C; . AUTHOR C.FERRER-ORTA,N.VERDAGUER,R.AGUDO,R.PEREZ-LUQUE . 476 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 67.2 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 . 60 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 2 2 1 2 1 0 2 3 0 0 0 0 0 0 0 2 0 1 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 . 2 2 3 3 1 1 1 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 1 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 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 1 0, 0.0 61,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0-157.9 14.0 11.5 15.8 2 2 A L E -A 293 0A 75 291,-2.8 291,-2.9 59,-0.2 2,-0.7 -0.908 360.0-140.4-107.6 121.2 12.1 8.7 14.0 3 3 A I E +A 292 0A 56 -2,-0.6 289,-0.2 57,-0.3 3,-0.1 -0.708 28.1 170.1 -75.0 115.5 8.4 9.2 13.2 4 4 A V E + 0 0 69 287,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.692 60.9 21.3-101.8 -24.9 6.9 5.8 13.9 5 5 A D E -A 291 0A 91 286,-1.1 286,-2.5 2,-0.0 2,-0.4 -0.983 50.6-173.4-151.5 134.1 3.2 6.6 13.6 6 6 A T E +A 290 0A 73 -2,-0.3 2,-0.4 284,-0.2 284,-0.2 -0.950 19.6 174.0-127.9 108.5 1.0 9.2 11.9 7 7 A R E -A 289 0A 43 282,-2.7 282,-2.8 -2,-0.4 2,-0.3 -0.944 24.7-135.7-120.8 138.2 -2.7 9.0 12.8 8 8 A D E -A 288 0A 121 -2,-0.4 2,-0.3 280,-0.2 280,-0.2 -0.712 25.2-175.7 -88.1 139.2 -5.6 11.4 11.9 9 9 A V E - 0 0 65 278,-3.0 -2,-0.0 -2,-0.3 0, 0.0 -0.956 33.8-123.5-135.8 154.5 -8.1 12.3 14.6 10 10 A E E S+ 0 0 194 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.863 88.5 86.9 -64.7 -40.3 -11.3 14.3 14.7 11 11 A E E S- 0 0 120 276,-0.1 2,-0.5 1,-0.0 -2,-0.2 -0.515 70.9-152.3 -67.6 115.5 -10.2 16.7 17.4 12 12 A R E - 0 0 122 -2,-0.5 2,-0.8 111,-0.0 275,-0.2 -0.801 6.7-155.4 -96.4 126.0 -8.3 19.6 15.8 13 13 A V E -A 286 0A 5 273,-2.5 273,-1.4 -2,-0.5 275,-0.1 -0.874 22.5-138.1-100.8 104.0 -5.6 21.5 17.7 14 14 A H - 0 0 133 -2,-0.8 2,-0.3 271,-0.1 -2,-0.0 -0.332 12.0-152.5 -66.4 137.1 -5.4 25.0 16.2 15 15 A V - 0 0 13 -2,-0.1 2,-1.0 147,-0.1 147,-0.1 -0.838 31.7 -95.9-106.7 149.6 -2.0 26.6 15.6 16 16 A M - 0 0 50 -2,-0.3 2,-0.2 147,-0.1 147,-0.1 -0.516 45.4-175.5 -70.9 100.2 -1.4 30.3 15.5 17 17 A R + 0 0 76 -2,-1.0 23,-0.1 2,-0.1 21,-0.0 -0.540 50.4 46.9 -85.7 163.3 -1.5 31.5 11.9 18 18 A K S S- 0 0 182 -2,-0.2 2,-0.1 2,-0.0 147,-0.1 0.739 88.0-102.0 68.0 122.1 -0.7 35.1 11.0 19 19 A T - 0 0 45 1,-0.1 -2,-0.1 2,-0.1 19,-0.0 -0.363 13.5-153.3 -72.6 148.1 2.4 36.8 12.5 20 20 A K S S+ 0 0 149 -2,-0.1 2,-0.6 2,-0.0 397,-0.6 0.415 71.9 98.6 -96.0 -1.9 2.2 39.2 15.4 21 21 A L E -E 416 0B 14 395,-0.2 395,-0.2 145,-0.1 -2,-0.1 -0.784 55.8-172.2 -90.8 120.9 5.5 40.9 14.2 22 22 A A E -E 415 0B 45 393,-3.1 393,-2.2 -2,-0.6 2,-0.1 -0.862 30.0 -97.8-114.5 147.2 4.9 44.0 12.2 23 23 A P E -E 414 0B 85 0, 0.0 391,-0.3 0, 0.0 2,-0.1 -0.363 37.9-148.9 -63.8 138.1 7.5 46.1 10.3 24 24 A T >> - 0 0 17 389,-2.3 3,-1.0 -2,-0.1 4,-0.6 -0.358 35.3 -91.0 -94.6-179.9 8.9 49.2 12.0 25 25 A V T 34 S+ 0 0 72 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.750 125.0 63.0 -62.3 -24.7 10.1 52.5 10.6 26 26 A A T >> S+ 0 0 0 386,-0.4 4,-3.0 1,-0.2 3,-1.2 0.772 87.2 71.7 -71.0 -28.0 13.6 51.0 10.4 27 27 A H H <> S+ 0 0 59 -3,-1.0 4,-2.0 386,-0.3 -1,-0.2 0.893 96.8 48.4 -57.4 -45.1 12.4 48.3 7.9 28 28 A G H 3< S+ 0 0 56 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.584 117.0 45.3 -71.5 -11.5 12.1 50.8 5.1 29 29 A V H <4 S+ 0 0 88 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.868 123.0 28.6 -95.7 -52.2 15.6 52.1 5.9 30 30 A F H < S- 0 0 27 -4,-3.0 -3,-0.2 379,-0.1 -2,-0.2 0.727 83.2-155.1 -83.7 -23.8 17.7 49.0 6.4 31 31 A N < - 0 0 113 -4,-2.0 -3,-0.1 -5,-0.4 -4,-0.1 0.946 22.3-150.4 41.2 69.4 15.7 46.7 4.1 32 32 A P - 0 0 12 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.338 23.0-129.0 -73.6 147.8 16.8 43.5 5.9 33 33 A E S S+ 0 0 97 373,-0.1 137,-2.2 -2,-0.1 138,-0.3 -0.214 87.4 90.0 -79.7 42.2 17.1 40.1 4.2 34 34 A F E +F 169 0C 47 -2,-0.9 135,-0.2 135,-0.3 133,-0.1 -0.959 47.5 158.2-142.4 152.9 14.9 39.0 7.0 35 35 A G E -F 168 0C 2 133,-2.8 133,-3.1 -2,-0.3 2,-0.1 -0.973 46.9 -61.4-164.4 172.5 11.2 38.6 7.8 36 36 A P E -F 167 0C 12 0, 0.0 131,-0.2 0, 0.0 3,-0.1 -0.394 61.9-103.4 -64.0 139.1 8.5 36.8 9.9 37 37 A A - 0 0 3 129,-2.6 2,-0.4 127,-0.2 136,-0.1 -0.212 40.7 -96.0 -59.8 152.0 8.5 33.0 9.6 38 38 A A + 0 0 0 1,-0.2 140,-0.1 134,-0.1 -1,-0.1 -0.611 46.0 167.9 -73.6 123.6 5.7 31.5 7.5 39 39 A L + 0 0 5 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.608 60.8 56.6-109.1 -21.6 2.8 30.4 9.7 40 40 A S S > S- 0 0 38 1,-0.1 3,-0.9 -23,-0.1 -1,-0.1 -0.834 71.2-137.8-112.4 151.2 0.2 29.7 7.0 41 41 A N T 3 S+ 0 0 68 -2,-0.3 9,-0.1 1,-0.2 -1,-0.1 0.666 106.8 60.3 -73.3 -19.6 0.3 27.4 4.0 42 42 A K T 3 S+ 0 0 92 3,-0.0 2,-0.4 2,-0.0 -1,-0.2 0.167 72.4 134.8 -95.2 16.0 -1.3 30.2 2.0 43 43 A D X - 0 0 40 -3,-0.9 3,-1.5 1,-0.1 -5,-0.1 -0.556 50.8-147.7 -69.9 121.3 1.6 32.6 2.7 44 44 A S T 3 S+ 0 0 119 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.678 92.3 66.1 -66.1 -20.7 2.4 34.3 -0.6 45 45 A R T 3 S+ 0 0 71 2,-0.1 -1,-0.3 128,-0.0 2,-0.1 0.613 81.3 103.4 -77.9 -14.0 6.1 34.6 0.2 46 46 A L S < S- 0 0 20 -3,-1.5 128,-0.2 1,-0.1 129,-0.1 -0.362 82.5-101.1 -69.5 147.6 6.5 30.8 0.1 47 47 A N > - 0 0 81 127,-1.8 3,-1.4 126,-0.1 -1,-0.1 -0.418 51.9 -86.1 -65.7 143.4 8.1 29.0 -2.9 48 48 A E T 3 S+ 0 0 194 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.198 108.5 7.8 -54.8 135.6 5.7 27.4 -5.3 49 49 A G T 3 S+ 0 0 81 1,-0.2 2,-0.7 -3,-0.1 -1,-0.2 0.696 90.1 135.7 66.2 22.9 4.6 23.9 -4.5 50 50 A V < - 0 0 51 -3,-1.4 2,-0.6 -9,-0.1 -1,-0.2 -0.907 44.9-150.2-105.9 112.0 6.2 23.8 -1.1 51 51 A V >> - 0 0 84 -2,-0.7 4,-1.3 1,-0.1 3,-0.8 -0.717 2.5-153.0 -84.6 120.6 3.9 22.4 1.6 52 52 A L H 3> S+ 0 0 0 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.850 93.5 58.5 -62.0 -37.9 4.6 24.0 5.0 53 53 A D H 3> S+ 0 0 54 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.774 105.3 51.4 -62.8 -29.2 3.4 20.9 6.9 54 54 A E H <4 S+ 0 0 67 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.862 110.1 46.3 -76.7 -39.1 6.0 18.7 5.1 55 55 A V H >< S+ 0 0 29 -4,-1.3 3,-1.4 1,-0.2 4,-0.4 0.870 102.7 65.1 -72.8 -38.7 9.0 20.9 5.9 56 56 A I H 3< S+ 0 0 8 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.829 111.7 33.9 -51.8 -40.0 8.1 21.3 9.6 57 57 A F T >< S+ 0 0 28 -4,-0.7 3,-1.2 -3,-0.2 -1,-0.3 0.275 88.4 99.0-104.8 9.2 8.7 17.6 10.3 58 58 A S T < + 0 0 68 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.715 69.7 72.9 -68.0 -21.0 11.5 17.1 7.8 59 59 A K T 3 S+ 0 0 63 -4,-0.4 2,-1.4 -3,-0.3 -1,-0.2 0.706 75.9 85.8 -65.3 -22.8 14.0 17.4 10.7 60 60 A H < + 0 0 31 -3,-1.2 -57,-0.3 1,-0.2 -1,-0.1 -0.662 49.6 152.3 -81.8 88.7 12.9 13.9 12.0 61 61 A K - 0 0 129 -2,-1.4 -59,-0.2 1,-0.4 2,-0.2 0.233 60.9 -62.2-106.8 12.5 15.2 11.8 9.8 62 62 A G - 0 0 21 -61,-2.4 2,-0.6 231,-0.1 -1,-0.4 -0.573 46.9 -89.2 128.4 168.3 15.5 8.8 12.1 63 63 A D - 0 0 18 -2,-0.2 298,-0.1 -62,-0.2 231,-0.1 -0.875 42.4-132.2-120.7 96.1 16.7 7.5 15.5 64 64 A T - 0 0 49 -2,-0.6 187,-0.5 183,-0.2 2,-0.5 -0.166 16.2-145.0 -51.9 125.6 20.4 6.5 15.4 65 65 A K - 0 0 138 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 -0.836 11.9-148.0 -97.2 130.8 21.0 3.1 17.0 66 66 A M - 0 0 13 -2,-0.5 294,-0.1 294,-0.1 293,-0.0 -0.764 12.9-120.9-100.1 143.3 24.2 2.7 18.9 67 67 A S > - 0 0 54 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.241 32.0-104.0 -70.4 166.6 26.2 -0.5 19.3 68 68 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 122.8 51.7 -60.7 -39.1 27.0 -2.1 22.7 69 69 A E H > S+ 0 0 158 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 111.9 45.4 -64.8 -43.2 30.6 -0.8 22.4 70 70 A D H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.844 113.2 50.9 -68.6 -35.5 29.5 2.7 21.6 71 71 A K H X S+ 0 0 80 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.863 109.3 50.2 -68.3 -39.0 26.9 2.6 24.4 72 72 A A H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.888 113.5 46.0 -65.5 -41.6 29.5 1.4 27.0 73 73 A L H X S+ 0 0 22 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 111.6 51.0 -66.3 -45.6 31.8 4.3 25.9 74 74 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.903 108.3 53.1 -58.5 -42.0 29.0 6.8 26.0 75 75 A R H X S+ 0 0 89 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.899 108.4 50.6 -59.1 -42.7 28.2 5.5 29.5 76 76 A R H X S+ 0 0 130 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 113.3 44.6 -59.0 -48.0 31.8 6.1 30.5 77 77 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.889 113.8 49.4 -65.0 -42.7 31.8 9.7 29.2 78 78 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.910 113.5 46.6 -63.1 -44.0 28.4 10.5 30.7 79 79 A A H X S+ 0 0 31 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.889 113.0 50.0 -64.5 -41.0 29.6 9.1 34.1 80 80 A D H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.910 114.2 43.4 -64.9 -45.0 32.9 11.1 33.8 81 81 A Y H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.903 113.4 52.5 -65.4 -40.6 31.1 14.3 32.9 82 82 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.879 106.2 54.2 -62.4 -40.5 28.5 13.6 35.7 83 83 A S H X S+ 0 0 73 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.941 112.5 42.9 -55.2 -52.1 31.4 13.1 38.2 84 84 A R H X S+ 0 0 87 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.908 114.8 51.3 -61.4 -44.7 32.8 16.5 37.3 85 85 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.944 113.7 40.9 -59.8 -52.9 29.3 18.1 37.3 86 86 A H H X S+ 0 0 9 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.692 108.9 61.6 -75.6 -19.3 28.3 16.9 40.7 87 87 A S H < S+ 0 0 97 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.0 36.5 -66.7 -42.6 31.7 17.6 42.2 88 88 A V H < S+ 0 0 59 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.1 0.943 124.9 38.6 -74.7 -49.6 31.3 21.3 41.4 89 89 A L H < S- 0 0 11 -4,-2.5 3,-0.2 1,-0.2 -3,-0.2 0.762 102.2-132.8 -75.6 -28.5 27.6 21.6 42.2 90 90 A G < - 0 0 32 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.499 24.2 -87.3 95.4-174.3 27.3 19.4 45.2 91 91 A T S S+ 0 0 81 -2,-0.2 2,-1.9 -4,-0.1 -1,-0.1 0.081 79.2 122.6-126.2 23.5 24.7 16.7 45.8 92 92 A A + 0 0 80 -3,-0.2 174,-0.1 1,-0.2 175,-0.1 -0.536 30.9 135.6 -81.7 71.6 21.8 18.6 47.4 93 93 A N + 0 0 4 -2,-1.9 175,-0.5 172,-0.2 -1,-0.2 0.073 20.0 143.9-113.5 21.8 19.4 17.6 44.7 94 94 A A - 0 0 49 173,-0.2 104,-0.3 1,-0.1 173,-0.1 -0.192 62.4 -75.2 -56.8 151.1 16.4 16.6 46.8 95 95 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 100,-0.2 -0.107 45.1-122.3 -47.3 142.0 12.9 17.4 45.3 96 96 A L - 0 0 4 98,-2.7 2,-0.1 97,-0.2 101,-0.0 -0.610 29.3-111.2 -77.0 148.1 11.7 21.0 45.3 97 97 A S > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.402 30.0-107.0 -70.4 159.6 8.4 21.7 47.1 98 98 A I H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.918 121.9 54.0 -53.1 -45.9 5.4 22.7 44.9 99 99 A Y H > S+ 0 0 118 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.907 111.1 43.5 -53.1 -50.0 5.8 26.2 46.2 100 100 A E H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.766 109.9 56.4 -72.7 -28.0 9.4 26.5 45.2 101 101 A A H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.776 116.3 36.5 -74.8 -27.7 8.8 24.9 41.8 102 102 A I H < S+ 0 0 2 -4,-1.5 9,-2.8 -3,-0.3 -2,-0.2 0.898 127.7 34.3 -85.3 -49.3 6.2 27.5 41.0 103 103 A K H < S- 0 0 90 -4,-2.8 7,-0.3 7,-0.2 -3,-0.2 0.627 102.5-143.1 -84.8 -17.1 7.9 30.5 42.6 104 104 A G < - 0 0 13 -4,-1.6 2,-0.2 -5,-0.3 5,-0.2 -0.108 6.8-120.4 79.0 177.9 11.5 29.5 41.9 105 105 A V B > -G 108 0D 51 3,-1.2 3,-1.5 92,-0.1 2,-0.4 -0.682 52.5 -44.5-136.3-169.4 14.6 29.9 44.1 106 106 A D T 3 S+ 0 0 91 1,-0.2 99,-0.1 -2,-0.2 3,-0.1 -0.568 134.2 13.8 -62.7 121.9 18.0 31.6 43.9 107 107 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.5 97,-0.1 -1,-0.2 0.239 116.2 83.6 92.9 -12.5 19.2 30.7 40.4 108 108 A L B < S-G 105 0D 17 -3,-1.5 -3,-1.2 96,-0.1 93,-0.1 -0.949 71.0-142.1-128.9 112.7 15.8 29.5 39.2 109 109 A D - 0 0 79 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.279 32.1 -93.7 -68.1 155.0 13.2 32.0 37.9 110 110 A A - 0 0 57 -7,-0.3 -7,-0.2 1,-0.1 2,-0.1 -0.204 46.9 -89.6 -64.6 156.8 9.5 31.5 38.6 111 111 A M - 0 0 11 -9,-2.8 -1,-0.1 -10,-0.1 -9,-0.0 -0.463 47.7-103.5 -64.3 139.2 7.2 29.6 36.3 112 112 A E > - 0 0 121 1,-0.2 3,-0.6 -2,-0.1 -1,-0.1 -0.566 30.4-159.0 -67.4 117.6 5.5 31.9 33.7 113 113 A P T 3 S+ 0 0 67 0, 0.0 16,-0.2 0, 0.0 -1,-0.2 0.692 84.4 40.8 -74.0 -19.4 1.9 32.4 35.0 114 114 A D T 3 S+ 0 0 91 14,-0.1 -2,-0.0 13,-0.1 2,-0.0 0.261 88.4 105.6-118.7 9.6 0.4 33.5 31.7 115 115 A T S < S- 0 0 63 -3,-0.6 13,-0.6 1,-0.2 -4,-0.0 -0.147 83.4 -63.2 -80.4-178.8 2.0 31.2 29.1 116 116 A A - 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O 0 400H 82 9,-2.0 9,-3.0 -2,-0.8 2,-0.3 -0.905 35.6-122.1-116.3 142.5 35.7 41.9 20.8 392 392 A M E - O 0 399H 96 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.656 28.0-124.3 -79.0 134.9 38.0 43.9 23.1 393 393 A D > - 0 0 6 5,-2.8 4,-2.0 -2,-0.3 5,-0.2 -0.704 11.5-144.6 -80.7 128.5 36.7 47.2 24.3 394 394 A Y T 4 S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.885 94.2 42.3 -58.2 -44.8 39.0 50.2 23.4 395 395 A G T 4 S+ 0 0 67 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.720 128.5 22.0 -80.7 -25.4 38.4 52.2 26.6 396 396 A T T 4 S- 0 0 39 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.673 90.3-126.1-116.3 -27.8 38.4 49.5 29.3 397 397 A G < + 0 0 36 -4,-2.0 2,-0.3 1,-0.3 -3,-0.1 0.722 66.5 128.2 80.7 24.3 40.4 46.5 27.8 398 398 A F - 0 0 37 -5,-0.2 -5,-2.8 1,-0.0 -1,-0.3 -0.824 65.9-103.2-110.3 150.1 37.6 44.1 28.5 399 399 A Y E -O 392 0H 30 -2,-0.3 -175,-0.3 -7,-0.2 -7,-0.2 -0.474 40.0-168.0 -65.6 138.9 35.8 41.6 26.2 400 400 A K E -O 391 0H 23 -9,-3.0 -9,-2.0 -177,-0.2 2,-0.9 -0.985 26.1-114.1-132.7 144.6 32.4 42.7 25.0 401 401 A P E -O 390 0H 4 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.678 36.3-172.0 -81.3 105.0 29.6 40.8 23.2 402 402 A V E -O 389 0H 13 -13,-1.4 -13,-3.4 -2,-0.9 2,-0.3 -0.855 7.6-155.3-102.1 125.8 29.2 42.4 19.8 403 403 A M - 0 0 11 -2,-0.5 -15,-0.1 27,-0.4 2,-0.1 -0.691 32.9 -94.7 -92.9 151.1 26.3 41.4 17.5 404 404 A A >> - 0 0 37 -17,-0.4 4,-2.2 -2,-0.3 3,-0.6 -0.429 26.9-130.9 -63.8 135.7 26.5 41.7 13.8 405 405 A S H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 108.8 58.3 -56.7 -36.2 25.0 45.0 12.5 406 406 A K H 3> S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.876 107.9 46.2 -60.2 -40.1 23.0 43.0 9.9 407 407 A T H <> S+ 0 0 29 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.902 112.1 49.9 -69.2 -44.2 21.4 41.0 12.8 408 408 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.869 108.9 52.8 -63.1 -38.6 20.7 44.2 14.8 409 409 A E H X S+ 0 0 12 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.889 110.0 49.1 -60.8 -41.6 19.1 45.8 11.8 410 410 A A H < S+ 0 0 4 -4,-1.5 3,-0.4 2,-0.2 4,-0.4 0.929 111.3 48.0 -64.1 -48.6 16.8 42.7 11.4 411 411 A I H >< S+ 0 0 45 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.891 114.4 47.2 -58.2 -42.9 15.8 42.8 15.1 412 412 A L H 3< S+ 0 0 3 -4,-2.3 -386,-0.4 1,-0.2 -1,-0.2 0.706 100.2 68.3 -72.4 -21.8 15.1 46.5 14.9 413 413 A S T 3< S+ 0 0 0 -4,-1.2 -389,-2.3 -3,-0.4 2,-0.3 0.551 103.1 43.1 -78.8 -8.9 13.1 46.2 11.7 414 414 A F E < +E 23 0B 6 -3,-0.8 2,-0.3 -4,-0.4 -393,-0.1 -0.977 59.2 154.1-139.6 150.3 10.2 44.3 13.3 415 415 A A E -E 22 0B 5 -393,-2.2 -393,-3.1 -2,-0.3 2,-0.2 -0.971 42.7 -96.2-164.8 159.1 8.1 44.5 16.5 416 416 A R E > -E 21 0B 112 -2,-0.3 3,-2.2 -395,-0.2 4,-0.3 -0.582 64.3 -75.6 -79.3 148.3 4.8 43.6 18.0 417 417 A R T 3 S- 0 0 95 -397,-0.6 -1,-0.1 1,-0.3 -396,-0.0 -0.165 114.8 -0.1 -50.3 122.7 2.1 46.3 18.1 418 418 A G T 3 S+ 0 0 83 -3,-0.1 -1,-0.3 1,-0.1 4,-0.2 0.587 108.8 93.4 74.9 13.4 2.8 48.9 20.8 419 419 A T <> + 0 0 59 -3,-2.2 4,-2.2 2,-0.1 5,-0.2 0.307 49.7 102.6-113.6 6.0 6.0 47.3 22.1 420 420 A I H > S+ 0 0 44 -4,-0.3 4,-2.3 1,-0.2 5,-0.1 0.850 80.4 50.0 -61.0 -39.7 8.5 49.3 19.9 421 421 A Q H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 113.6 44.0 -65.8 -48.3 9.5 51.6 22.8 422 422 A E H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.832 114.6 51.2 -65.5 -34.0 10.2 48.8 25.3 423 423 A K H X S+ 0 0 54 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.887 105.0 56.7 -69.2 -40.7 12.0 46.8 22.5 424 424 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.898 108.0 46.0 -57.8 -45.7 14.2 49.8 21.6 425 425 A I H X S+ 0 0 80 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.880 114.1 49.9 -66.1 -38.9 15.6 50.2 25.2 426 426 A S H < S+ 0 0 88 -4,-1.4 4,-0.4 1,-0.2 3,-0.3 0.907 113.5 43.9 -65.2 -44.7 16.1 46.4 25.4 427 427 A V H >X S+ 0 0 6 -4,-2.8 4,-2.3 1,-0.2 3,-1.1 0.781 102.7 67.6 -73.5 -28.5 18.0 46.2 22.0 428 428 A A H 3X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.864 93.5 59.5 -57.6 -37.9 20.0 49.3 22.9 429 429 A G H 3< S+ 0 0 21 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.751 111.3 40.6 -61.1 -26.4 21.7 47.3 25.6 430 430 A L H X4 S+ 0 0 43 -3,-1.1 3,-0.8 -4,-0.4 -27,-0.4 0.801 113.4 53.0 -88.0 -35.4 22.9 44.9 22.8 431 431 A A H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.645 87.1 80.4 -78.7 -17.3 23.8 47.7 20.3 432 432 A V G >< S+ 0 0 4 -4,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.773 86.6 60.5 -61.0 -26.0 26.0 49.7 22.7 433 433 A H G < S+ 0 0 7 -3,-0.8 -1,-0.3 -32,-0.2 -2,-0.1 0.526 87.0 73.4 -82.6 -5.9 28.9 47.2 22.0 434 434 A S G < S- 0 0 29 -3,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.538 110.8-105.8 -81.2 -8.6 28.9 48.0 18.3 435 435 A G <> - 0 0 12 -3,-0.9 4,-2.2 -4,-0.2 -1,-0.2 -0.155 35.0 -71.7 99.6 163.1 30.5 51.4 19.0 436 436 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.871 127.3 48.0 -59.0 -44.3 29.2 55.0 19.0 437 437 A D H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.921 114.7 43.1 -67.1 -47.4 28.9 55.4 15.2 438 438 A E H > S+ 0 0 59 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.862 112.4 55.1 -68.4 -36.6 27.1 52.1 14.6 439 439 A Y H X S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.922 110.0 46.2 -57.8 -48.1 24.8 52.8 17.6 440 440 A R H X S+ 0 0 156 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.898 114.0 48.7 -60.8 -43.6 23.8 56.1 16.1 441 441 A R H < S+ 0 0 90 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.864 108.3 53.5 -66.8 -39.2 23.2 54.6 12.7 442 442 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.2 36.5 -66.1 -33.8 21.1 51.7 14.0 443 443 A F H >< S+ 0 0 1 -4,-1.4 3,-1.5 -5,-0.2 4,-0.4 0.404 87.3 102.0-101.8 0.5 18.7 54.1 15.9 444 444 A E G >< S+ 0 0 58 -4,-0.6 3,-0.9 -3,-0.4 -1,-0.2 0.824 79.6 52.7 -55.1 -39.3 18.8 56.9 13.2 445 445 A P G 3 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.709 107.4 55.3 -69.2 -16.8 15.3 55.9 11.8 446 446 A F G X> S+ 0 0 2 -3,-1.5 4,-1.6 3,-0.1 3,-1.4 0.462 77.9 122.6 -94.8 -3.7 13.9 56.0 15.3 447 447 A Q B <4 S+p 450 0I 116 -3,-0.9 4,-0.1 -4,-0.4 -3,-0.0 -0.384 78.3 10.4 -70.9 133.3 14.9 59.6 16.2 448 448 A G T 34 S+ 0 0 82 2,-0.5 -1,-0.2 -2,-0.1 3,-0.1 0.407 122.2 67.5 83.4 -0.9 12.1 62.1 17.2 449 449 A L T <4 S+ 0 0 113 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.649 107.2 15.6-116.9 -33.6 9.6 59.3 17.4 450 450 A F B < S-p 447 0I 66 -4,-1.6 2,-0.6 -30,-0.0 -2,-0.5 -0.866 84.3 -92.6-135.2 168.5 10.8 57.3 20.4 451 451 A E - 0 0 141 -2,-0.3 -4,-0.1 -4,-0.1 -26,-0.0 -0.786 39.4-169.3 -83.6 118.9 13.2 57.6 23.4 452 452 A I - 0 0 29 -2,-0.6 3,-0.1 -27,-0.0 -27,-0.1 -0.959 23.8-121.1-110.7 121.1 16.6 56.3 22.5 453 453 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.292 33.5-108.6 -55.6 139.2 19.1 55.8 25.3 454 454 A S > - 0 0 67 1,-0.1 4,-1.3 4,-0.0 5,-0.2 -0.379 19.9-124.1 -65.5 150.1 22.3 57.8 24.9 455 455 A Y H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.899 110.0 56.9 -60.5 -42.4 25.4 55.8 24.0 456 456 A R H > S+ 0 0 170 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 103.6 51.3 -55.6 -47.9 27.2 57.3 27.0 457 457 A S H > S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.824 114.0 42.9 -66.4 -34.4 24.6 56.2 29.6 458 458 A L H X S+ 0 0 19 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.788 111.7 54.8 -80.6 -29.5 24.6 52.6 28.4 459 459 A Y H X S+ 0 0 39 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 110.6 45.1 -67.4 -43.0 28.4 52.5 28.1 460 460 A L H X S+ 0 0 85 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.831 111.6 53.5 -69.9 -33.2 28.8 53.6 31.8 461 461 A R H X S+ 0 0 181 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.907 111.6 46.1 -62.6 -43.5 26.1 51.1 32.8 462 462 A W H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.907 107.6 55.8 -66.9 -45.2 28.1 48.4 31.1 463 463 A V H X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 8,-0.2 0.929 111.9 43.5 -53.7 -50.5 31.5 49.4 32.5 464 464 A N H < S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.2 51.5 -60.4 -42.1 30.1 49.1 36.1 465 465 A A H < S+ 0 0 46 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.900 110.9 45.3 -64.4 -45.4 28.4 45.9 35.4 466 466 A V H < S- 0 0 21 -4,-2.8 2,-0.2 1,-0.3 -1,-0.2 0.847 138.5 -4.3 -70.1 -35.3 31.4 44.1 33.9 467 467 A C X - 0 0 46 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.3 -0.792 57.4-157.2-163.2 114.8 33.7 45.2 36.7 468 468 A G H > S+ 0 0 43 -3,-0.2 4,-1.1 -2,-0.2 3,-0.2 0.835 94.4 54.2 -61.8 -37.5 32.7 47.6 39.5 469 469 A D H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 99.9 59.8 -67.7 -38.7 36.3 48.7 40.2 470 470 A A H > S+ 0 0 16 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.819 104.0 51.8 -60.4 -34.2 37.0 49.8 36.6 471 471 A A H < S+ 0 0 24 -4,-0.9 -1,-0.2 -8,-0.2 -2,-0.2 0.858 113.5 43.8 -68.1 -38.0 34.2 52.3 36.9 472 472 A A H >X S+ 0 0 44 -4,-1.1 3,-1.5 1,-0.2 4,-1.5 0.799 106.2 61.9 -75.8 -31.4 35.7 53.7 40.1 473 473 A L H 3< S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.835 94.3 61.6 -63.0 -35.3 39.2 53.6 38.6 474 474 A A T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.366 109.9 44.5 -72.0 5.9 38.1 56.1 35.9 475 475 A H T <4 0 0 167 -3,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.669 360.0 360.0-115.6 -36.0 37.4 58.4 38.9 476 476 A H < 0 0 185 -4,-1.5 -3,-0.0 0, 0.0 -4,-0.0 -0.205 360.0 360.0 -52.2 360.0 40.6 58.0 41.1