==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-DEC-07 3BR9 . COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR Q.ZHAO,R.E.SHOWALTER,Q.HAN,C.R.KISSINGER . 1114 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 794 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 11.1 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 5 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 . 51 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 399 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 4 3 3 0 4 2 2 4 2 4 4 0 2 2 2 1 1 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 PARALLEL BRIDGES PER LADDER . 14 0 4 3 4 2 3 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 . 0 5 1 4 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 69 0, 0.0 55,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.1 99.8 14.2 84.3 2 2 A M B -A 55 0A 74 53,-0.2 53,-0.2 1,-0.2 3,-0.1 -0.527 360.0-139.3 -69.7 130.4 102.8 14.8 82.1 3 3 A S S S+ 0 0 0 51,-2.7 271,-3.0 -2,-0.3 272,-0.4 0.876 86.1 9.8 -59.8 -37.2 102.2 13.2 78.8 4 4 A Y E -B 273 0B 13 269,-0.2 2,-0.4 50,-0.2 269,-0.2 -0.978 58.2-157.8-139.5 151.2 105.8 12.1 78.9 5 5 A T E -B 272 0B 61 267,-2.4 267,-3.2 -2,-0.3 2,-0.4 -0.996 23.3-156.3-124.1 130.9 108.7 12.1 81.4 6 6 A W E -B 271 0B 63 -2,-0.4 265,-0.3 265,-0.3 264,-0.1 -0.852 19.5-158.9-113.2 144.3 112.1 11.9 79.7 7 7 A T - 0 0 78 263,-2.3 264,-0.2 -2,-0.4 -1,-0.1 0.732 52.2-104.7 -87.9 -26.1 115.4 10.7 81.1 8 8 A G S S+ 0 0 66 262,-0.6 2,-0.1 1,-0.5 262,-0.1 0.123 76.9 134.0 115.1 -20.8 117.7 12.6 78.7 9 9 A A - 0 0 22 260,-0.4 -1,-0.5 1,-0.1 -2,-0.2 -0.429 57.9-113.9 -61.5 138.2 118.6 9.6 76.5 10 10 A L - 0 0 126 -2,-0.1 2,-0.7 -3,-0.1 258,-0.1 -0.310 16.8-111.7 -76.1 153.4 118.3 10.4 72.8 11 11 A I - 0 0 10 31,-0.2 34,-0.2 253,-0.1 35,-0.1 -0.803 47.8-158.4 -79.8 118.5 115.8 8.9 70.4 12 12 A T - 0 0 14 -2,-0.7 253,-0.5 126,-0.3 128,-0.2 -0.712 10.6-129.2-109.8 147.2 118.2 6.9 68.2 13 13 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.328 2.2-151.8 -76.8 167.8 117.9 5.6 64.6 14 14 A C S S+ 0 0 104 1,-0.4 2,-0.1 -2,-0.1 3,-0.1 0.682 86.5 28.7 -97.8 -74.3 118.6 2.1 63.5 15 15 A A S S- 0 0 72 1,-0.1 -1,-0.4 0, 0.0 2,-0.1 -0.452 104.0 -94.0 -74.1 154.6 119.8 2.7 59.9 16 16 A A - 0 0 97 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.402 51.0-128.9 -59.5 152.6 121.5 6.0 59.1 17 17 A E - 0 0 34 -3,-0.1 2,-0.5 -2,-0.1 24,-0.1 -0.892 11.0-145.5-123.0 140.3 118.8 8.4 57.8 18 18 A E + 0 0 82 -2,-0.4 3,-0.0 1,-0.1 20,-0.0 -0.890 18.4 172.3-102.2 128.4 118.6 10.5 54.8 19 19 A S + 0 0 58 -2,-0.5 20,-2.0 19,-0.1 2,-0.3 0.667 60.9 80.9-101.7 -22.5 116.9 13.8 55.1 20 20 A K B S-F 38 0C 129 18,-0.2 18,-0.2 1,-0.1 15,-0.1 -0.663 93.8-101.3 -92.5 135.8 117.8 15.1 51.6 21 21 A L - 0 0 14 16,-1.1 2,-0.2 13,-0.4 -1,-0.1 -0.310 38.0-127.7 -49.9 118.4 115.9 14.0 48.6 22 22 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 374,-0.2 -0.601 25.4-146.2 -64.7 135.9 117.9 11.2 46.8 23 23 A I + 0 0 84 -2,-0.2 2,-0.2 373,-0.1 370,-0.0 -0.923 24.7 165.4-111.5 126.9 118.4 12.2 43.1 24 24 A N >> - 0 0 60 -2,-0.5 3,-0.6 373,-0.0 4,-0.5 -0.602 56.1 -81.2-121.2-166.9 118.5 9.7 40.3 25 25 A A T 34 S+ 0 0 103 1,-0.2 4,-0.1 -2,-0.2 371,-0.1 0.663 128.3 48.7 -68.6 -16.5 118.3 10.1 36.5 26 26 A L T >> S+ 0 0 59 369,-0.2 3,-1.2 1,-0.1 4,-0.9 0.652 87.1 87.7 -95.5 -18.4 114.5 10.2 36.7 27 27 A S H X> S+ 0 0 3 -3,-0.6 4,-2.6 1,-0.3 3,-1.4 0.887 83.6 53.4 -51.2 -50.6 114.2 12.8 39.4 28 28 A N H 3< S+ 0 0 64 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.744 98.7 63.1 -64.0 -22.2 114.3 15.9 37.2 29 29 A S H <4 S+ 0 0 40 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.814 116.5 31.0 -76.2 -23.1 111.4 14.7 35.0 30 30 A L H << S+ 0 0 1 -3,-1.4 2,-0.3 -4,-0.9 -2,-0.2 0.900 132.3 4.8 -89.7 -46.9 109.2 14.8 38.0 31 31 A L < - 0 0 0 -4,-2.6 -1,-0.3 459,-0.2 459,-0.2 -0.997 40.4-176.1-149.7 134.6 110.6 17.7 40.1 32 32 A R S S+ 0 0 165 456,-0.9 2,-2.1 457,-0.7 3,-0.2 0.695 76.9 75.9-105.0 -25.8 113.3 20.3 39.9 33 33 A H > + 0 0 82 455,-2.6 3,-2.1 1,-0.2 4,-0.4 -0.370 56.2 162.1 -89.7 67.1 113.1 21.9 43.3 34 34 A H G > + 0 0 44 -2,-2.1 3,-1.3 1,-0.3 -13,-0.4 0.748 66.3 61.4 -56.3 -32.8 114.8 19.0 45.0 35 35 A N G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.515 90.6 68.7 -79.4 -6.3 115.7 21.1 48.2 36 36 A M G < S+ 0 0 43 -3,-2.1 111,-3.1 452,-0.1 2,-0.4 0.693 91.8 76.5 -74.3 -21.7 112.0 21.6 48.8 37 37 A V E < + G 0 146C 0 -3,-1.3 -16,-1.1 -4,-0.4 2,-0.3 -0.784 59.2 156.9-103.4 131.8 111.7 17.9 49.6 38 38 A Y E -FG 20 145C 6 107,-2.2 107,-2.3 -2,-0.4 2,-0.4 -0.980 32.8-133.8-143.8 160.9 112.9 16.3 52.9 39 39 A A E - G 0 144C 4 -20,-2.0 105,-0.2 -2,-0.3 114,-0.1 -0.960 27.7-122.4-111.8 135.9 112.5 13.4 55.1 40 40 A T - 0 0 3 103,-2.6 2,-0.3 -2,-0.4 -22,-0.1 -0.376 34.6-174.0 -64.6 150.1 112.2 13.7 58.9 41 41 A T > - 0 0 14 101,-0.1 3,-1.8 -24,-0.1 112,-0.5 -0.882 43.1 -94.3-139.7 172.1 114.8 11.8 60.9 42 42 A S G > S+ 0 0 7 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.676 112.4 81.1 -60.6 -15.9 115.5 11.0 64.5 43 43 A R G 3 S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.600 95.9 41.7 -74.7 -8.8 117.8 14.0 64.5 44 44 A S G X> S+ 0 0 27 -3,-1.8 4,-1.3 2,-0.1 3,-0.6 0.204 84.4 103.0-113.2 9.6 114.7 16.3 65.0 45 45 A A H <> S+ 0 0 1 -3,-1.7 4,-3.3 1,-0.2 5,-0.2 0.852 71.7 63.2 -62.1 -36.4 113.0 14.0 67.5 46 46 A G H 3> S+ 0 0 42 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.856 101.7 51.5 -53.2 -39.1 114.0 16.3 70.4 47 47 A L H <> S+ 0 0 111 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.902 111.8 46.7 -65.9 -42.5 111.9 19.1 68.9 48 48 A R H X S+ 0 0 42 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.944 108.9 54.6 -60.2 -52.1 109.0 16.6 68.7 49 49 A Q H X S+ 0 0 26 -4,-3.3 4,-0.7 1,-0.2 -2,-0.2 0.919 108.9 48.9 -47.8 -51.3 109.6 15.5 72.3 50 50 A K H >< S+ 0 0 177 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.931 112.6 48.0 -53.5 -49.8 109.3 19.1 73.4 51 51 A K H 3< S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.7 44.0 -57.8 -49.1 106.1 19.6 71.4 52 52 A V H 3< S+ 0 0 12 -4,-2.9 2,-0.8 -5,-0.1 -1,-0.2 0.425 93.4 94.6 -81.7 0.5 104.4 16.5 72.7 53 53 A T << + 0 0 37 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.1 -0.813 52.9 114.0-106.0 104.3 105.4 17.0 76.3 54 54 A F - 0 0 27 -2,-0.8 -51,-2.7 168,-0.2 2,-0.3 -0.962 63.2 -89.6-159.9 166.6 102.8 18.7 78.5 55 55 A D B -A 2 0A 83 -2,-0.3 2,-0.5 -53,-0.2 -53,-0.2 -0.611 33.7-151.4 -86.9 142.3 100.4 18.3 81.4 56 56 A R - 0 0 10 -55,-1.7 2,-0.4 -2,-0.3 167,-0.0 -0.963 12.5-177.4-115.5 132.2 96.9 17.2 80.7 57 57 A L - 0 0 135 -2,-0.5 2,-0.4 2,-0.0 286,-0.1 -0.930 10.0-162.2-118.1 151.5 94.0 18.1 82.9 58 58 A Q - 0 0 46 -2,-0.4 2,-0.5 284,-0.1 284,-0.2 -0.998 14.5-171.4-141.3 139.1 90.6 16.8 82.3 59 59 A V - 0 0 90 282,-2.7 2,-0.5 -2,-0.4 284,-0.1 -0.933 14.1-164.8-134.9 104.3 87.2 17.9 83.4 60 60 A L - 0 0 47 -2,-0.5 2,-0.1 282,-0.1 -2,-0.0 -0.812 9.8-178.8-101.6 127.5 84.4 15.5 82.5 61 61 A D > - 0 0 46 -2,-0.5 4,-2.2 1,-0.0 5,-0.1 -0.395 45.4 -81.3-114.5-171.4 80.8 16.6 82.7 62 62 A D H > S+ 0 0 104 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.815 124.3 56.7 -68.7 -35.0 77.4 15.0 82.0 63 63 A H H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.941 108.7 49.1 -58.3 -46.6 77.5 15.4 78.3 64 64 A Y H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.962 115.1 44.3 -53.6 -51.3 80.8 13.4 78.3 65 65 A R H X S+ 0 0 115 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.844 111.9 52.3 -67.7 -34.2 79.1 10.8 80.5 66 66 A D H X S+ 0 0 72 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.936 110.6 46.8 -65.5 -47.2 75.9 10.6 78.5 67 67 A V H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.927 111.6 51.9 -61.5 -42.4 77.7 10.1 75.2 68 68 A L H X S+ 0 0 16 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.925 108.2 51.2 -61.1 -43.8 79.9 7.5 76.8 69 69 A K H X S+ 0 0 145 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.920 111.7 47.4 -57.9 -46.3 76.8 5.7 78.1 70 70 A E H X S+ 0 0 66 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 112.7 48.8 -57.9 -48.4 75.3 5.8 74.5 71 71 A M H X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.884 110.6 50.7 -59.5 -41.8 78.6 4.5 73.1 72 72 A K H X S+ 0 0 70 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.879 107.0 54.4 -64.6 -40.9 78.7 1.7 75.6 73 73 A A H < S+ 0 0 22 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.918 112.4 43.4 -58.0 -47.3 75.1 0.7 74.8 74 74 A K H >< S+ 0 0 51 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.908 112.4 53.5 -64.7 -39.2 76.0 0.3 71.1 75 75 A A H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.753 96.3 67.4 -66.9 -25.6 79.3 -1.4 72.1 76 76 A S T 3< S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.633 94.3 60.7 -69.4 -12.0 77.3 -4.0 74.1 77 77 A T T < S+ 0 0 12 -3,-1.5 507,-2.7 -4,-0.3 508,-0.5 0.524 85.2 95.2 -92.6 -5.5 75.9 -5.2 70.9 78 78 A V < - 0 0 6 -3,-1.4 162,-3.2 505,-0.2 2,-0.4 -0.660 53.4-165.0 -89.3 141.8 79.2 -6.2 69.3 79 79 A K B -h 240 0D 87 503,-0.3 2,-0.4 -2,-0.3 162,-0.2 -0.994 13.3-174.2-120.7 129.0 80.5 -9.8 69.5 80 80 A A - 0 0 6 160,-2.3 162,-0.4 -2,-0.4 2,-0.3 -0.960 13.4-136.9-128.1 146.1 84.2 -10.2 68.7 81 81 A K - 0 0 119 -2,-0.4 92,-0.5 160,-0.1 2,-0.3 -0.704 19.0-116.1 -99.0 152.7 86.3 -13.2 68.3 82 82 A L - 0 0 47 -2,-0.3 2,-0.3 91,-0.1 88,-0.2 -0.633 34.3-128.9 -71.3 136.2 89.8 -14.0 69.4 83 83 A L - 0 0 12 86,-2.4 2,-0.1 -2,-0.3 -1,-0.0 -0.658 19.7-116.0 -83.9 151.1 92.1 -14.5 66.6 84 84 A S > - 0 0 42 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.440 29.3-108.8 -72.4 162.3 94.3 -17.6 66.4 85 85 A V H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.925 121.0 53.4 -54.4 -46.5 98.1 -17.1 66.6 86 86 A E H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 109.2 47.0 -59.2 -50.1 98.3 -18.0 63.0 87 87 A E H > S+ 0 0 81 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.912 113.4 48.3 -56.1 -47.2 95.7 -15.5 61.9 88 88 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.908 110.9 52.8 -61.6 -42.8 97.3 -12.7 63.9 89 89 A C H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.886 103.7 55.3 -58.6 -44.7 100.7 -13.7 62.4 90 90 A K H 3< S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.658 101.1 60.1 -65.6 -16.4 99.3 -13.5 58.8 91 91 A L T << S+ 0 0 21 -3,-0.8 466,-2.8 -4,-0.8 -1,-0.3 0.438 81.7 107.8 -87.5 -0.6 98.2 -9.8 59.6 92 92 A T S < S- 0 0 0 -3,-1.7 464,-0.2 464,-0.2 463,-0.1 -0.681 74.6-121.9 -83.6 124.7 101.9 -8.9 60.3 93 93 A P > - 0 0 7 0, 0.0 3,-1.0 0, 0.0 16,-0.1 -0.288 18.5-122.9 -57.8 144.8 103.5 -6.7 57.6 94 94 A P T 3 S+ 0 0 33 0, 0.0 12,-0.3 0, 0.0 11,-0.1 0.801 112.8 46.3 -64.3 -25.6 106.7 -8.3 56.1 95 95 A H T 3 S+ 0 0 83 10,-0.1 3,-0.1 305,-0.1 10,-0.1 0.463 81.6 136.7 -91.5 -7.9 108.7 -5.2 57.1 96 96 A S S < S- 0 0 12 -3,-1.0 9,-0.7 1,-0.1 10,-0.2 -0.043 70.9 -85.7 -43.5 140.6 107.3 -5.0 60.6 97 97 A A - 0 0 45 7,-0.1 -1,-0.1 1,-0.1 64,-0.1 -0.257 51.4-111.5 -57.4 134.3 110.0 -4.3 63.2 98 98 A K - 0 0 167 -3,-0.1 6,-0.3 1,-0.1 63,-0.2 -0.171 33.3-100.1 -62.5 156.0 111.8 -7.5 64.4 99 99 A S B >> -I 103 0E 7 4,-2.4 4,-0.6 61,-0.1 3,-0.6 -0.420 15.7-131.7 -72.8 154.1 111.3 -8.9 67.9 100 100 A K T 34 S+ 0 0 111 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.443 102.1 76.2 -78.6 -1.9 114.0 -8.2 70.5 101 101 A F T 34 S- 0 0 120 2,-0.2 -1,-0.2 14,-0.0 3,-0.1 -0.058 121.8 -89.7-106.1 29.8 113.6 -12.0 71.1 102 102 A G T <4 S+ 0 0 49 -3,-0.6 2,-0.3 1,-0.2 -2,-0.1 0.943 94.4 90.1 69.0 53.7 115.5 -13.1 68.1 103 103 A Y B < -I 99 0E 9 -4,-0.6 -4,-2.4 12,-0.0 -2,-0.2 -0.915 55.0-144.5-166.4 163.7 113.0 -13.4 65.3 104 104 A G >> - 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0 0 0 -4,-1.2 52,-0.2 -3,-0.8 2,-0.2 -0.536 61.5-156.8 -66.9 122.9 95.0 11.2 75.4 225 229 A T > - 0 0 11 -2,-0.3 4,-2.0 50,-0.1 5,-0.2 -0.521 31.6-105.5 -99.7 168.2 94.9 10.5 79.1 226 230 A E H > S+ 0 0 89 48,-0.3 4,-2.5 1,-0.2 5,-0.2 0.906 124.8 54.4 -50.5 -46.8 94.9 7.4 81.3 227 231 A N H > S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.895 106.7 50.7 -56.7 -41.7 91.3 8.1 81.9 228 232 A D H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 111.5 47.8 -62.7 -37.3 90.7 8.1 78.1 229 233 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.856 113.5 46.4 -79.3 -32.7 92.5 4.9 77.7 230 234 A R H X S+ 0 0 82 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.879 110.7 54.0 -70.8 -40.3 90.5 3.2 80.5 231 235 A V H X S+ 0 0 16 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.951 108.8 48.1 -58.4 -45.5 87.3 4.6 79.2 232 236 A E H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.886 108.9 54.0 -68.5 -32.5 88.0 3.1 75.8 233 237 A E H X S+ 0 0 24 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.953 105.5 53.3 -59.8 -45.3 88.8 -0.2 77.5 234 238 A S H < S+ 0 0 34 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.818 107.9 51.8 -64.4 -24.5 85.5 -0.1 79.3 235 239 A I H >< S+ 0 0 2 -4,-1.6 3,-0.8 -5,-0.2 4,-0.4 0.907 109.7 48.3 -72.7 -40.6 84.0 0.3 75.8 236 240 A Y H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.933 106.8 56.4 -60.5 -47.6 85.8 -2.7 74.5 237 241 A Q T 3< S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.613 91.5 73.0 -62.5 -14.3 84.7 -4.8 77.5 238 242 A C T < S+ 0 0 37 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.772 83.6 92.6 -68.6 -23.5 81.1 -3.9 76.6 239 243 A C S < S- 0 0 1 -3,-2.1 2,-0.8 -4,-0.4 -160,-0.2 -0.212 94.1-103.8 -68.3 160.0 81.5 -6.4 73.7 240 244 A D B +h 79 0D 57 -162,-3.2 -160,-2.3 -165,-0.2 2,-0.3 -0.790 61.8 169.9 -82.1 110.5 80.6 -10.0 73.9 241 245 A L - 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0 0 43 -18,-0.3 -18,-0.2 -2,-0.3 -19,-0.0 -0.951 46.9 -68.1-157.8 167.9 93.7 17.2 48.2 383 387 A D - 0 0 55 -20,-0.5 3,-0.4 -2,-0.3 98,-0.1 -0.502 44.6-145.6 -60.4 130.1 96.6 19.4 47.8 384 388 A P S > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.385 72.2 99.5 -83.6 5.3 99.1 17.3 45.8 385 389 A T H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.903 85.9 40.0 -63.6 -49.4 102.3 18.7 47.4 386 390 A T H > S+ 0 0 28 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.941 115.7 52.6 -68.0 -45.7 103.0 16.0 49.9 387 391 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 -2,-0.2 0.914 114.4 42.7 -50.1 -43.1 102.0 13.3 47.3 388 392 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 111.3 53.8 -76.2 -41.2 104.4 14.8 44.8 389 393 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.923 114.7 42.9 -48.9 -50.5 107.2 15.3 47.4 390 394 A R H X S+ 0 0 62 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.915 109.8 54.7 -70.0 -42.6 106.8 11.6 48.2 391 395 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.886 106.7 54.6 -53.8 -38.5 106.6 10.5 44.6 392 396 A A H X S+ 0 0 2 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.951 108.7 46.1 -65.9 -45.5 109.8 12.3 44.2 393 397 A W H >X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.909 113.7 49.8 -56.3 -42.1 111.4 10.3 47.0 394 398 A E H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.676 99.6 65.8 -76.8 -16.6 110.0 7.1 45.5 395 399 A T H 3< S+ 0 0 9 -4,-1.5 -1,-0.3 -3,-0.4 -369,-0.2 0.792 117.3 25.7 -69.2 -30.6 111.3 8.0 42.1 396 400 A A H << S+ 0 0 19 -4,-0.9 2,-0.4 -3,-0.8 -2,-0.2 0.662 123.2 49.1-106.6 -19.9 114.8 7.6 43.5 397 401 A R S < S- 0 0 97 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.963 71.4-128.1-128.9 137.2 114.4 5.2 46.4 398 402 A H - 0 0 165 -2,-0.4 -3,-0.1 -3,-0.1 4,-0.0 -0.676 38.4-170.7 -72.8 132.9 112.7 1.9 47.0 399 403 A T - 0 0 34 -2,-0.4 41,-0.2 -5,-0.1 3,-0.0 -0.906 35.6-118.3-129.8 153.8 110.5 2.4 50.0 400 404 A P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -305,-0.1 0.726 104.9 36.4 -63.4 -23.3 108.5 -0.0 52.1 401 405 A V S S- 0 0 33 38,-0.0 2,-1.2 46,-0.0 40,-0.3 -0.999 76.4-141.6-134.6 131.6 105.2 1.7 51.2 402 406 A N >> + 0 0 14 38,-2.8 4,-2.2 -2,-0.4 3,-0.8 -0.713 19.0 178.5-100.8 87.2 104.5 3.2 47.8 403 407 A S H 3> S+ 0 0 21 -2,-1.2 4,-3.4 1,-0.3 5,-0.2 0.852 80.2 62.1 -54.4 -38.9 102.6 6.4 48.5 404 408 A W H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.922 106.8 43.8 -53.5 -43.5 102.4 7.0 44.8 405 409 A L H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.898 113.7 50.0 -73.6 -40.5 100.4 3.9 44.3 406 410 A G H X S+ 0 0 6 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.926 112.1 49.6 -57.9 -44.1 98.2 4.6 47.3 407 411 A N H X S+ 0 0 24 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.889 108.3 51.1 -67.7 -38.5 97.6 8.1 45.9 408 412 A I H < S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.906 115.8 44.0 -62.8 -40.2 96.7 6.9 42.5 409 413 A I H >< S+ 0 0 0 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.952 121.2 36.4 -69.5 -48.5 94.3 4.5 44.1 410 414 A M H 3< S+ 0 0 26 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.792 130.1 33.0 -78.8 -25.7 92.7 6.9 46.6 411 415 A Y T >< S+ 0 0 22 -4,-2.7 3,-2.1 -5,-0.3 6,-0.4 0.018 74.7 131.9-121.6 27.3 92.9 9.9 44.3 412 416 A A T < S+ 0 0 1 -3,-0.6 -1,-0.1 -4,-0.4 6,-0.1 0.833 72.1 53.9 -45.2 -44.8 92.3 8.3 40.9 413 417 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.653 90.4 103.2 -71.7 -13.1 89.7 10.8 39.8 414 418 A T S <> S- 0 0 0 -3,-2.1 4,-1.6 -34,-0.2 5,-0.2 -0.231 75.1-127.4 -75.8 158.8 91.9 13.8 40.5 415 419 A L H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.926 107.6 46.2 -65.6 -47.7 93.7 15.9 37.9 416 420 A W H >>S+ 0 0 0 2,-0.2 5,-1.5 1,-0.2 4,-1.3 0.814 111.6 49.9 -72.1 -30.3 97.2 15.6 39.5 417 421 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.8 3,-0.2 6,-0.2 0.916 117.0 42.3 -74.6 -39.6 97.0 11.8 40.1 418 422 A R H <>S+ 0 0 10 -4,-1.6 5,-0.6 -7,-0.3 -2,-0.2 0.915 122.2 34.6 -69.8 -48.1 96.0 11.1 36.6 419 423 A M H <5S+ 0 0 8 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.819 134.7 18.8 -84.4 -31.5 98.2 13.5 34.7 420 424 A I T X5S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 5,-0.3 0.877 125.5 40.1-105.9 -61.6 101.3 13.3 36.9 421 425 A L H >S+ 0 0 12 -4,-2.3 5,-2.8 2,-0.2 6,-0.6 0.908 109.4 50.7 -76.1 -39.7 107.4 0.8 35.3 430 434 A L H ><5S+ 0 0 10 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.960 109.0 51.6 -54.9 -53.9 107.4 0.4 31.6 431 435 A A H 3<5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.767 117.5 38.4 -57.2 -29.8 111.1 1.3 31.5 432 436 A Q T 3<5S- 0 0 110 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.290 104.5-127.4-101.8 7.1 111.9 -1.3 34.1 433 437 A E T < 5S+ 0 0 161 -3,-2.1 -3,-0.2 -4,-0.2 3,-0.2 0.896 72.3 130.5 36.0 49.1 109.5 -3.8 32.7 434 438 A Q > < + 0 0 67 -5,-2.8 3,-1.1 -6,-0.2 -4,-0.2 0.079 21.9 114.4-111.7 21.6 108.2 -3.9 36.3 435 439 A L T 3 S+ 0 0 12 -6,-0.6 18,-0.9 1,-0.2 -1,-0.1 0.808 78.2 50.0 -55.8 -32.4 104.6 -3.4 35.4 436 440 A E T 3 S+ 0 0 137 -3,-0.2 2,-0.4 -7,-0.1 -1,-0.2 0.546 85.7 104.3 -90.6 -9.9 103.8 -6.9 36.7 437 441 A K S < S- 0 0 106 -3,-1.1 2,-0.2 -8,-0.1 16,-0.1 -0.599 71.1-126.5 -80.5 128.8 105.5 -6.6 40.1 438 442 A A - 0 0 37 -2,-0.4 2,-0.3 13,-0.2 13,-0.3 -0.519 25.0-155.8 -78.2 139.1 103.2 -6.1 43.1 439 443 A L E -R 450 0J 25 11,-4.1 11,-4.1 -2,-0.2 2,-0.4 -0.854 14.3-120.7-118.7 148.8 104.0 -3.1 45.3 440 444 A D E +R 449 0J 39 -2,-0.3 -38,-2.8 9,-0.2 2,-0.3 -0.755 39.1 164.0 -87.8 131.2 103.1 -2.5 48.9 441 445 A C E -R 448 0J 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.4 -0.945 30.3-119.2-138.9 167.9 101.0 0.5 49.7 442 446 A Q E -R 447 0J 93 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.905 20.0-178.1-111.8 137.0 98.9 1.7 52.7 443 447 A I E > S-R 446 0J 2 3,-2.4 3,-2.0 -2,-0.4 108,-0.1 -0.990 80.2 -16.1-131.0 123.2 95.3 2.4 52.9 444 448 A Y T 3 S- 0 0 40 -2,-0.4 107,-2.4 1,-0.3 108,-0.2 0.896 130.4 -51.9 46.0 48.6 93.8 3.8 56.1 445 449 A G T 3 S+ 0 0 16 105,-0.2 111,-0.5 106,-0.2 2,-0.3 0.405 115.6 114.0 77.2 -1.7 97.0 2.7 57.9 446 450 A A E < -R 443 0J 0 -3,-2.0 -3,-2.4 100,-0.1 2,-0.4 -0.803 64.9-123.4-108.5 145.5 96.9 -0.9 56.6 447 451 A C E -Rs 442 557J 1 109,-2.9 111,-3.5 -2,-0.3 2,-0.4 -0.714 29.2-179.1 -93.4 129.8 99.4 -2.5 54.2 448 452 A Y E -R 441 0J 11 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.7 -0.960 26.7-133.0-122.7 143.5 98.2 -4.0 50.9 449 453 A S E -R 440 0J 61 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.895 36.1-173.4 -93.6 121.0 100.2 -5.7 48.2 450 454 A I E -R 439 0J 7 -11,-4.1 -11,-4.1 -2,-0.7 3,-0.1 -0.948 24.4-144.0-123.8 137.9 99.0 -4.1 44.9 451 455 A E > - 0 0 70 -2,-0.4 3,-2.8 -13,-0.3 4,-0.3 -0.885 13.1-146.6 -97.0 115.4 99.7 -4.9 41.3 452 456 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.825 96.8 67.5 -47.9 -38.3 99.8 -1.7 39.2 453 457 A L G 3 S+ 0 0 6 -18,-0.9 4,-0.2 1,-0.3 64,-0.1 0.676 96.2 57.7 -57.7 -16.8 98.3 -3.6 36.2 454 458 A D G <> S+ 0 0 27 -3,-2.8 4,-3.0 1,-0.2 3,-0.4 0.515 74.1 101.8 -92.1 -7.0 95.1 -3.8 38.3 455 459 A L H <> S+ 0 0 0 -3,-2.1 4,-3.2 -4,-0.3 5,-0.3 0.855 77.1 54.6 -46.7 -44.9 94.7 -0.1 38.8 456 460 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.947 114.0 40.0 -59.3 -44.7 92.0 0.1 36.1 457 461 A Q H > S+ 0 0 12 -3,-0.4 4,-2.5 -4,-0.2 -2,-0.2 0.886 116.6 51.3 -66.5 -42.0 89.8 -2.5 37.7 458 462 A I H X S+ 0 0 4 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.946 113.8 44.0 -59.1 -47.6 90.6 -1.1 41.2 459 463 A I H X>S+ 0 0 1 -4,-3.2 4,-2.7 -5,-0.3 5,-0.8 0.893 111.8 52.3 -70.5 -39.9 89.7 2.4 40.1 460 464 A E H X5S+ 0 0 14 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.926 114.9 44.2 -58.4 -42.2 86.6 1.2 38.3 461 465 A R H <5S+ 0 0 99 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.958 121.7 35.4 -69.1 -48.6 85.5 -0.5 41.4 462 466 A L H <5S+ 0 0 21 -4,-3.1 -268,-0.4 -5,-0.2 -267,-0.2 0.839 138.6 14.2 -72.7 -32.8 86.3 2.2 43.9 463 467 A H H <5S- 0 0 37 -4,-2.7 -3,-0.2 -5,-0.3 3,-0.2 0.615 99.2-118.0-120.7 -20.2 85.4 5.2 41.8 464 468 A G ><< - 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