==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-05 2BRK . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR S.DI MARCO,C.VOLPARI,A.CARFI . 512 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 2 0.4 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 . 16 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 2 1 1 2 1 2 2 1 1 2 0 1 0 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 . 5 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 S 0 0 80 0, 0.0 42,-1.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 160.6 -0.5 33.4 35.4 2 2 A M B -A 42 0A 73 40,-0.2 40,-0.2 1,-0.1 3,-0.1 -0.502 360.0-139.5 -74.9 136.6 0.0 32.2 31.9 3 3 A S S S+ 0 0 0 38,-2.5 258,-2.6 -2,-0.2 259,-0.4 0.784 87.3 8.4 -64.6 -28.1 3.6 32.3 30.6 4 4 A Y E -B 260 0B 13 256,-0.2 2,-0.3 37,-0.2 256,-0.2 -0.985 58.9-156.0-148.5 155.9 2.3 33.5 27.3 5 5 A T E -B 259 0B 62 254,-2.2 254,-2.0 -2,-0.3 2,-0.3 -0.980 20.7-151.3-128.9 141.8 -0.9 34.7 25.7 6 6 A W E -B 258 0B 63 -2,-0.3 252,-0.3 252,-0.2 251,-0.1 -0.883 16.5-160.4-120.7 146.9 -1.3 34.4 21.9 7 7 A T - 0 0 74 250,-2.2 251,-0.1 -2,-0.3 -1,-0.1 0.809 52.0-105.0 -90.2 -34.7 -3.3 36.5 19.4 8 8 A G S S+ 0 0 60 1,-0.6 249,-0.1 249,-0.5 250,-0.1 -0.052 81.4 127.2 124.6 -25.2 -3.5 34.0 16.6 9 9 A A - 0 0 26 247,-0.4 -1,-0.6 1,-0.1 -2,-0.2 -0.294 61.0-114.8 -60.0 149.4 -0.9 35.9 14.5 10 10 A L - 0 0 124 -3,-0.1 2,-0.9 1,-0.0 245,-0.1 -0.497 13.8-112.9 -90.8 154.8 1.9 33.6 13.4 11 11 A I - 0 0 8 18,-0.2 21,-0.2 -2,-0.2 22,-0.1 -0.823 49.3-162.3 -81.2 112.7 5.5 33.6 14.2 12 12 A T - 0 0 13 -2,-0.9 240,-0.4 113,-0.3 115,-0.3 -0.629 15.6-113.8-100.7 155.2 6.8 34.5 10.8 13 13 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.490 9.7-156.0 -78.0 158.1 10.3 34.2 9.3 14 14 A C S S+ 0 0 98 -2,-0.1 2,-0.3 1,-0.1 112,-0.0 0.440 77.9 23.4-106.2 -10.3 12.3 37.3 8.4 15 15 A A S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.912 100.4 -68.1-143.4 171.2 14.4 35.4 5.9 16 16 A A - 0 0 104 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.497 54.1-161.1 -59.0 124.3 14.5 32.3 3.6 17 17 A E - 0 0 56 -2,-0.3 2,-0.3 -4,-0.0 11,-0.1 -0.645 9.1-153.9-102.3 166.2 14.6 29.3 5.8 18 18 A E - 0 0 40 -2,-0.2 3,-0.0 9,-0.2 8,-0.0 -0.956 11.1-175.9-141.5 125.1 15.8 25.7 4.9 19 19 A S S S+ 0 0 38 -2,-0.3 7,-0.4 6,-0.1 2,-0.3 0.336 72.6 23.0-105.0 5.5 14.5 22.6 6.8 20 20 A K 0 0 52 5,-0.2 5,-0.1 360,-0.0 -1,-0.0 -0.949 360.0 360.0-157.8 175.0 16.7 20.0 4.9 21 21 A L 0 0 79 3,-0.4 -2,-0.1 -2,-0.3 359,-0.0 -0.491 360.0 360.0 -87.7 360.0 19.9 19.8 2.9 22 ! 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 23 36 A M 0 0 164 0, 0.0 111,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-127.1 18.4 12.5 8.6 24 37 A V E +F 133 0C 27 109,-0.2 -3,-0.4 110,-0.1 2,-0.3 -0.881 360.0 177.6 -96.9 124.0 19.7 16.0 9.5 25 38 A Y E -F 132 0C 7 107,-1.3 107,-3.4 -2,-0.5 2,-0.4 -0.892 23.0-140.0-123.8 153.5 17.0 18.8 9.8 26 39 A A E -F 131 0C 6 -7,-0.4 105,-0.2 -2,-0.3 2,-0.1 -0.922 27.5-117.4-108.0 140.1 16.9 22.5 10.7 27 40 A T - 0 0 4 103,-2.2 2,-0.3 -2,-0.4 -9,-0.2 -0.471 37.4-178.8 -72.0 145.7 14.1 24.0 12.8 28 41 A T > - 0 0 10 -2,-0.1 3,-1.9 101,-0.1 112,-0.5 -0.888 46.1 -93.8-137.1 169.5 11.9 26.6 11.1 29 42 A S G > S+ 0 0 14 -2,-0.3 3,-1.6 1,-0.3 4,-0.4 0.682 112.2 80.1 -53.0 -26.6 9.0 28.9 11.9 30 43 A R G 3 S+ 0 0 225 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.799 97.3 42.8 -53.8 -30.1 6.8 26.2 10.4 31 44 A S G X> S+ 0 0 22 -3,-1.9 4,-1.4 1,-0.2 3,-1.4 0.430 82.5 105.2 -94.8 -0.8 7.1 24.4 13.8 32 45 A A H <> S+ 0 0 2 -3,-1.6 4,-3.0 1,-0.3 5,-0.2 0.851 73.8 58.8 -54.0 -41.5 6.6 27.5 16.0 33 46 A G H 3> S+ 0 0 44 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.3 0.820 102.6 52.8 -55.7 -37.5 3.1 26.5 16.9 34 47 A L H <> S+ 0 0 123 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.911 112.5 45.2 -65.5 -43.5 4.2 23.2 18.4 35 48 A R H X S+ 0 0 57 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.950 109.7 55.0 -62.2 -50.1 6.8 25.1 20.6 36 49 A Q H X S+ 0 0 27 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.863 107.0 51.8 -51.2 -41.7 4.2 27.8 21.5 37 50 A K H >< S+ 0 0 172 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.925 111.3 45.7 -61.7 -48.3 1.9 25.0 22.8 38 51 A K H 3< S+ 0 0 78 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.3 47.6 -65.5 -39.2 4.6 23.4 25.0 39 52 A V H 3< S+ 0 0 6 -4,-2.5 2,-0.7 -5,-0.1 -1,-0.2 0.426 93.3 92.7 -86.8 1.5 5.8 26.7 26.5 40 53 A T << + 0 0 39 -3,-0.8 2,-0.3 -4,-0.5 -38,-0.1 -0.858 54.1 111.6-103.3 110.7 2.3 28.0 27.3 41 54 A F - 0 0 48 -2,-0.7 -38,-2.5 168,-0.1 2,-0.4 -0.979 64.1 -92.4-166.0 167.4 1.0 27.2 30.8 42 55 A D B -A 2 0A 102 -2,-0.3 2,-0.5 -40,-0.2 -40,-0.2 -0.737 38.2-137.5 -88.0 132.5 0.1 28.6 34.1 43 56 A R - 0 0 20 -42,-1.7 2,-0.5 -2,-0.4 167,-0.0 -0.800 14.3-167.6 -96.0 129.5 2.8 28.7 36.8 44 57 A L + 0 0 129 -2,-0.5 2,-0.4 283,-0.2 286,-0.1 -0.979 12.4 175.6-111.1 129.9 2.1 27.7 40.4 45 58 A Q + 0 0 46 -2,-0.5 2,-0.4 284,-0.1 284,-0.2 -0.997 13.5 178.9-137.0 124.7 4.8 28.7 42.9 46 59 A V - 0 0 91 282,-2.2 2,-0.1 -2,-0.4 284,-0.1 -0.937 18.0-157.1-125.1 111.3 4.8 28.2 46.7 47 60 A L - 0 0 37 -2,-0.4 2,-0.2 282,-0.1 -2,-0.0 -0.421 10.3-171.2 -84.9 158.0 8.0 29.4 48.4 48 61 A D > - 0 0 37 -2,-0.1 4,-1.9 281,-0.0 3,-0.2 -0.753 42.4 -80.7-139.5-175.6 9.1 28.1 51.8 49 62 A D H > S+ 0 0 105 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.760 122.5 59.8 -70.3 -25.9 11.8 29.0 54.3 50 63 A H H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 108.3 46.0 -60.8 -49.7 14.6 27.1 52.6 51 64 A Y H > S+ 0 0 6 1,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.939 114.4 48.3 -55.5 -47.3 14.1 29.3 49.6 52 65 A R H X S+ 0 0 107 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.889 111.3 49.7 -64.2 -38.6 14.0 32.4 51.9 53 66 A D H X S+ 0 0 69 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.931 112.2 47.1 -67.0 -44.7 17.2 31.3 53.7 54 67 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 110.4 53.0 -62.0 -45.2 19.1 30.7 50.5 55 68 A L H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 106.8 52.1 -57.1 -44.4 17.9 34.1 49.1 56 69 A K H X S+ 0 0 130 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.895 109.4 49.4 -59.9 -43.6 19.1 36.0 52.2 57 70 A E H X S+ 0 0 81 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.915 110.5 51.4 -62.5 -41.2 22.6 34.4 51.9 58 71 A M H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.927 109.7 49.2 -61.3 -44.9 22.7 35.3 48.2 59 72 A K H X S+ 0 0 69 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.877 106.4 55.7 -62.3 -39.4 21.8 39.0 49.0 60 73 A A H < S+ 0 0 64 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.915 111.4 44.3 -61.9 -42.5 24.5 39.2 51.7 61 74 A K H >< S+ 0 0 92 -4,-1.9 3,-2.2 1,-0.2 -2,-0.2 0.966 112.9 50.9 -62.9 -48.6 27.1 38.1 49.1 62 75 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 165,-0.2 0.798 98.2 68.0 -59.6 -30.7 25.6 40.5 46.4 63 76 A S T 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.636 92.9 59.8 -66.1 -15.5 25.8 43.3 49.0 64 77 A T T < S+ 0 0 111 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.3 0.343 88.5 96.1 -89.0 4.5 29.7 43.1 48.8 65 78 A V < - 0 0 7 -3,-1.8 162,-3.0 -4,-0.1 2,-0.5 -0.817 55.0-165.1-100.4 133.5 29.6 43.9 45.0 66 79 A K B -g 227 0D 141 -2,-0.4 2,-0.4 160,-0.2 162,-0.2 -0.966 13.8-177.5-111.2 128.2 30.1 47.4 43.6 67 80 A A - 0 0 4 160,-2.0 162,-0.4 -2,-0.5 2,-0.2 -0.971 9.9-150.2-128.7 148.5 29.1 47.9 40.0 68 81 A K - 0 0 110 -2,-0.4 92,-0.4 160,-0.1 2,-0.3 -0.675 23.3-102.6-108.1 164.0 29.3 50.9 37.7 69 82 A L - 0 0 47 -2,-0.2 2,-0.3 91,-0.1 88,-0.2 -0.668 30.8-131.2 -76.8 139.0 27.4 52.2 34.7 70 83 A L - 0 0 12 86,-2.2 2,-0.1 -2,-0.3 89,-0.0 -0.709 26.5-120.1 -79.5 144.6 28.8 51.6 31.3 71 84 A S > - 0 0 47 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.315 28.5-103.4 -72.9 168.3 28.8 54.8 29.3 72 85 A V H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 123.7 53.5 -56.7 -39.9 26.9 54.8 26.0 73 86 A E H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 108.8 46.3 -68.8 -41.1 30.2 54.5 24.2 74 87 A E H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.917 112.7 50.0 -62.6 -48.6 31.4 51.5 26.2 75 88 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.884 110.2 52.1 -60.1 -38.8 28.0 49.7 25.7 76 89 A C H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.903 107.5 51.1 -60.3 -43.5 28.2 50.5 22.0 77 90 A K H 3< S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.3 50.8 -71.8 -23.2 31.7 48.9 21.6 78 91 A L T 3< S+ 0 0 80 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.383 81.3 114.7 -95.9 2.4 30.6 45.7 23.4 79 92 A T S < S- 0 0 4 -3,-1.2 17,-0.0 -4,-0.3 73,-0.0 -0.581 78.7-109.8 -68.9 128.6 27.6 45.3 21.1 80 93 A P > - 0 0 61 0, 0.0 3,-1.4 0, 0.0 16,-0.1 -0.433 23.8-126.3 -63.8 137.1 28.1 42.1 19.1 81 94 A P T 3 S+ 0 0 43 0, 0.0 12,-0.2 0, 0.0 11,-0.1 0.636 102.1 44.1 -60.4 -24.9 28.7 42.9 15.3 82 95 A H T 3 S+ 0 0 121 10,-0.1 3,-0.1 9,-0.1 -3,-0.0 0.307 80.4 127.9-107.3 10.1 25.9 40.7 13.8 83 96 A S S < S- 0 0 32 -3,-1.4 9,-0.6 1,-0.1 -4,-0.0 -0.189 73.7 -75.0 -67.1 159.3 23.0 41.5 16.2 84 97 A A - 0 0 46 7,-0.1 64,-0.2 1,-0.1 -1,-0.1 -0.259 51.3-112.9 -65.6 134.2 19.7 42.5 14.7 85 98 A K - 0 0 169 -3,-0.1 6,-0.3 1,-0.1 63,-0.2 -0.184 36.4-101.3 -59.3 154.0 19.5 46.1 13.3 86 99 A S > - 0 0 4 4,-2.4 3,-0.6 61,-0.1 4,-0.2 -0.386 13.7-130.0 -70.3 157.6 17.2 48.6 15.1 87 100 A K T 3 S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.654 101.6 72.7 -74.7 -19.7 13.8 49.7 13.8 88 101 A F T 3 S- 0 0 127 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.040 123.1 -82.8 -96.5 28.8 14.9 53.3 14.2 89 102 A G S < S+ 0 0 44 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.651 96.0 78.4 94.5 21.2 17.3 53.4 11.3 90 103 A Y - 0 0 6 -4,-0.2 -4,-2.4 11,-0.1 -1,-0.2 -0.982 52.2-150.7-152.0 163.0 20.6 52.0 12.3 91 104 A G >> - 0 0 11 -2,-0.3 4,-2.1 -6,-0.3 3,-0.7 -0.652 42.5 -77.8-127.6-176.6 22.4 48.7 12.9 92 105 A A H 3> S+ 0 0 5 -9,-0.6 4,-2.8 1,-0.3 5,-0.2 0.821 125.0 55.0 -49.3 -41.3 25.1 47.0 15.0 93 106 A K H 3> S+ 0 0 156 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.866 108.5 48.0 -66.4 -38.9 27.8 48.4 12.8 94 107 A D H <4>S+ 0 0 63 -3,-0.7 5,-2.4 2,-0.2 -2,-0.2 0.911 111.8 50.1 -64.4 -46.0 26.6 51.9 13.4 95 108 A V H ><5S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.974 112.4 47.8 -53.2 -56.1 26.4 51.3 17.2 96 109 A R H 3<5S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.3 48.5 -59.9 -31.0 30.0 49.9 17.2 97 110 A N T 3<5S- 0 0 115 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.230 113.8-115.5 -96.9 13.7 31.3 52.8 15.1 98 111 A L T < 5 - 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.881 42.5-172.7 55.8 47.0 29.6 55.5 17.3 99 112 A S >< - 0 0 33 -5,-2.4 4,-2.8 1,-0.1 3,-0.3 -0.483 28.6-130.0 -66.8 138.1 27.3 56.9 14.7 100 113 A S H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.845 107.1 59.5 -62.6 -36.4 25.5 59.9 15.9 101 114 A K H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 112.4 38.0 -55.3 -47.1 22.2 58.4 14.7 102 115 A A H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.909 115.8 51.2 -73.1 -44.5 22.6 55.4 17.0 103 116 A V H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.916 111.5 47.5 -61.0 -44.1 24.2 57.3 20.0 104 117 A N H X S+ 0 0 108 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.853 113.0 48.3 -68.4 -38.8 21.4 59.9 20.1 105 118 A H H X S+ 0 0 32 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.924 112.4 49.2 -66.5 -41.3 18.7 57.2 19.8 106 119 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.966 109.4 51.1 -63.7 -49.2 20.4 55.3 22.7 107 120 A H H X S+ 0 0 89 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.880 112.4 48.9 -50.6 -41.1 20.7 58.4 24.9 108 121 A S H X S+ 0 0 62 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.875 109.1 50.2 -72.9 -37.0 16.9 58.9 24.2 109 122 A V H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.947 112.1 49.9 -60.5 -46.4 16.0 55.3 25.1 110 123 A W H X S+ 0 0 17 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.917 109.4 49.5 -56.2 -49.4 18.1 55.8 28.3 111 124 A K H X S+ 0 0 116 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.914 111.1 50.4 -59.5 -43.3 16.3 59.0 29.3 112 125 A D H X S+ 0 0 69 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.906 108.3 52.8 -61.2 -41.9 12.9 57.2 28.6 113 126 A L H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.8 44.2 -60.0 -40.0 14.0 54.3 30.9 114 127 A L H < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.772 121.0 40.5 -73.3 -26.9 14.9 56.8 33.7 115 128 A E H < S+ 0 0 132 -4,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.681 117.5 44.0 -97.8 -23.6 11.6 58.8 33.2 116 129 A D < + 0 0 38 -4,-2.8 -1,-0.2 -5,-0.2 126,-0.1 -0.967 52.8 167.8-127.9 116.9 9.1 56.0 32.5 117 130 A T S S+ 0 0 41 -2,-0.5 124,-0.1 -3,-0.1 -1,-0.1 0.262 73.6 46.5-108.6 14.6 9.3 52.9 34.8 118 131 A V S S+ 0 0 106 2,-0.1 -1,-0.1 124,-0.1 -2,-0.0 0.729 72.7 101.8-127.0 -42.6 5.9 51.3 33.7 119 132 A T S S- 0 0 70 1,-0.1 123,-0.1 128,-0.0 -3,-0.1 -0.368 73.0-119.4 -66.2 117.4 5.3 51.2 30.0 120 133 A P - 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0 0 40 -3,-1.7 -3,-0.0 -4,-0.2 0, 0.0 -0.778 65.8-145.7-103.6 136.8 35.0 27.6 33.5 179 196 A S > - 0 0 23 -2,-0.4 4,-2.5 270,-0.1 5,-0.2 -0.310 49.8 -92.6 -69.2 171.7 36.7 26.5 30.4 180 197 A P H > S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.896 127.9 48.6 -61.5 -40.7 35.9 22.8 29.7 181 198 A G H > S+ 0 0 34 268,-0.4 4,-1.8 2,-0.2 5,-0.1 0.856 112.5 48.8 -66.2 -37.7 39.0 21.5 31.5 182 199 A Q H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 109.7 52.2 -70.0 -38.7 38.3 23.7 34.5 183 200 A R H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.913 111.1 47.4 -59.3 -48.9 34.7 22.4 34.6 184 201 A V H X S+ 0 0 4 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.866 110.1 53.7 -56.5 -41.2 36.0 18.9 34.5 185 202 A E H X S+ 0 0 118 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.887 110.1 46.3 -67.1 -42.4 38.5 19.8 37.3 186 203 A F H X S+ 0 0 30 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.937 115.4 46.0 -61.1 -50.7 35.7 21.1 39.5 187 204 A L H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.948 116.3 44.4 -60.6 -49.8 33.5 18.1 38.9 188 205 A V H X S+ 0 0 9 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.911 114.1 48.4 -63.5 -46.0 36.3 15.5 39.4 189 206 A N H X S+ 0 0 98 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.872 114.1 47.9 -63.7 -35.6 37.7 17.3 42.5 190 207 A T H < S+ 0 0 12 -4,-2.2 4,-0.5 -5,-0.2 3,-0.4 0.945 112.4 48.5 -67.5 -47.3 34.2 17.5 43.9 191 208 A W H >< S+ 0 0 34 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.918 112.3 48.2 -57.5 -45.4 33.5 13.8 43.1 192 209 A K H 3< S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 101.2 66.0 -74.1 -19.4 36.7 12.6 44.7 193 210 A S T 3< S+ 0 0 70 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.3 0.596 87.1 85.1 -77.0 -13.4 36.1 14.7 47.9 194 211 A K S < S- 0 0 13 -3,-1.2 114,-0.0 -4,-0.5 113,-0.0 -0.700 72.0-143.8 -90.9 141.9 33.1 12.6 48.8 195 212 A K S S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.3 113,-0.1 0.928 101.0 10.3 -69.1 -45.3 33.5 9.3 50.7 196 213 A N S S- 0 0 108 113,-0.1 113,-3.3 -3,-0.1 -1,-0.3 -0.753 92.8-153.2-130.5 87.8 30.6 7.7 48.8 197 214 A P E +I 308 0E 29 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.320 19.5 173.5 -69.1 139.3 29.8 10.0 45.9 198 215 A M E +I 307 0E 0 109,-2.2 109,-2.8 2,-0.0 2,-0.3 -0.973 10.3 170.8-130.9 147.2 26.4 10.2 44.3 199 216 A G E -IJ 306 340E 0 141,-2.1 141,-2.5 -2,-0.3 2,-0.3 -0.984 12.3-174.9-153.7 166.9 25.4 12.7 41.7 200 217 A F E -I 305 0E 0 105,-1.9 105,-2.4 -2,-0.3 2,-0.3 -0.993 21.5-128.1-158.3 150.2 22.7 13.7 39.3 201 218 A S E -I 304 0E 44 137,-0.3 2,-0.4 -2,-0.3 137,-0.3 -0.810 23.2-166.8 -97.4 146.7 21.9 16.1 36.5 202 219 A Y E +I 303 0E 5 101,-2.2 101,-2.7 -2,-0.3 2,-0.3 -0.984 7.4 179.2-128.9 147.0 18.7 18.1 36.6 203 220 A D E -I 302 0E 63 -2,-0.4 131,-1.7 132,-0.3 132,-0.4 -0.981 25.5-124.8-147.6 132.6 17.2 20.1 33.8 204 221 A T B > -L 333 0F 4 97,-0.5 3,-0.7 -2,-0.3 2,-0.7 -0.569 22.2-117.4 -85.6 139.6 13.9 22.1 33.9 205 222 A R T 3 S- 0 0 92 127,-2.3 5,-0.1 1,-0.3 -1,-0.1 -0.715 97.5 -14.0 -72.6 113.8 11.1 21.5 31.4 206 223 A C T >> S- 0 0 13 -2,-0.7 4,-1.4 3,-0.1 3,-0.6 0.946 80.2-174.3 53.5 61.1 10.7 24.8 29.5 207 224 A F H X> S+ 0 0 11 -3,-0.7 4,-0.9 1,-0.2 3,-0.7 0.880 76.2 55.2 -55.1 -50.9 12.8 26.8 32.1 208 225 A D H >4 S+ 0 0 41 1,-0.3 55,-2.1 2,-0.2 3,-0.6 0.860 109.9 47.8 -51.5 -41.4 12.2 30.2 30.6 209 226 A S H <4 S+ 0 0 2 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.749 105.5 58.8 -72.8 -27.8 8.4 29.7 30.8 210 227 A T H << S+ 0 0 1 -4,-1.4 2,-0.5 -3,-0.7 -1,-0.2 0.651 81.6 103.7 -73.2 -14.7 8.7 28.5 34.4 211 228 A V << - 0 0 0 -4,-0.9 52,-0.2 -3,-0.6 2,-0.1 -0.580 62.4-155.8 -75.1 121.7 10.3 31.8 35.4 212 229 A T > - 0 0 12 -2,-0.5 4,-2.2 50,-0.1 5,-0.1 -0.389 29.6-108.0 -92.9 168.7 7.7 33.9 37.2 213 230 A E H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 123.6 53.1 -57.2 -43.0 7.3 37.6 37.8 214 231 A N H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 107.3 51.8 -60.7 -40.8 8.2 37.0 41.4 215 232 A D H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 110.5 48.3 -58.9 -45.6 11.4 35.2 40.2 216 233 A I H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.838 113.0 47.1 -67.5 -34.9 12.3 38.1 38.0 217 234 A R H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.759 108.7 54.9 -76.6 -29.7 11.7 40.6 40.8 218 235 A V H X S+ 0 0 15 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.929 108.0 50.4 -66.8 -42.8 13.7 38.5 43.2 219 236 A E H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 109.9 49.8 -60.0 -44.4 16.6 38.7 40.7 220 237 A E H X S+ 0 0 36 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.891 107.7 53.9 -61.0 -39.2 16.2 42.5 40.5 221 238 A S H < S+ 0 0 32 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.847 107.9 50.6 -69.0 -31.8 16.3 42.6 44.3 222 239 A I H >< S+ 0 0 2 -4,-1.9 3,-1.6 2,-0.2 4,-0.5 0.956 111.0 48.2 -61.4 -52.2 19.6 40.7 44.3 223 240 A Y H >< S+ 0 0 3 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.851 107.0 56.8 -57.6 -37.8 21.0 43.1 41.7 224 241 A Q T 3< S+ 0 0 40 -4,-2.4 -1,-0.3 1,-0.2 4,-0.2 0.540 91.1 72.3 -73.5 -9.2 19.8 46.1 43.9 225 242 A C T < S+ 0 0 31 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.727 82.6 94.4 -73.7 -21.8 21.8 44.7 46.8 226 243 A C S < S- 0 0 0 -3,-1.2 2,-1.1 -4,-0.5 -160,-0.2 -0.262 96.0-104.2 -60.3 152.4 24.9 45.8 44.8 227 244 A D B +g 66 0D 81 -162,-3.0 -160,-2.0 -165,-0.2 2,-0.3 -0.784 61.9 168.7 -77.7 99.7 26.4 49.2 45.5 228 245 A L - 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