==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 08-MAR-13 4JJS . COMPND 2 MOLECULE: GENOME POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS; . AUTHOR R.COULOMBE . 1117 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 751 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 10.7 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 . 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 . 1 0.1 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 . 49 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 391 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.1 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 1 3 2 2 4 2 4 4 0 2 4 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 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 . 13 0 4 3 4 5 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 . 0 6 0 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 52 0, 0.0 55,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 169.2 -6.8 44.0 5.9 2 2 A M B -A 55 0A 72 53,-0.2 53,-0.3 1,-0.2 273,-0.1 -0.496 360.0-141.9 -68.8 129.3 -7.3 47.4 7.5 3 3 A S S S+ 0 0 0 51,-2.9 272,-2.2 -2,-0.2 2,-0.3 0.882 86.7 10.5 -58.1 -38.2 -10.1 47.4 10.2 4 4 A Y E -B 274 0B 14 270,-0.2 2,-0.4 50,-0.1 270,-0.2 -0.972 59.8-161.1-141.8 155.6 -10.9 50.9 8.9 5 5 A T E -B 273 0B 56 268,-1.7 268,-2.4 -2,-0.3 2,-0.4 -0.997 18.9-150.1-135.1 130.0 -10.1 53.3 6.0 6 6 A W E -B 272 0B 68 -2,-0.4 266,-0.3 266,-0.2 265,-0.1 -0.869 18.9-163.6-111.9 140.9 -10.8 57.0 6.2 7 7 A T - 0 0 75 264,-2.4 265,-0.2 -2,-0.4 -1,-0.1 0.629 54.1-109.6 -87.5 -18.7 -11.7 59.5 3.5 8 8 A G S S+ 0 0 59 263,-0.7 263,-0.1 1,-0.5 264,-0.1 0.065 77.3 131.7 110.4 -25.8 -10.8 62.4 5.8 9 9 A A - 0 0 25 261,-0.4 -1,-0.5 262,-0.1 -2,-0.2 -0.317 60.3-111.8 -56.7 147.3 -14.4 63.6 6.2 10 10 A L - 0 0 125 -3,-0.1 2,-0.9 1,-0.1 259,-0.1 -0.403 14.8-110.9 -87.7 160.2 -15.1 64.0 10.0 11 11 A I - 0 0 10 31,-0.2 34,-0.2 -2,-0.1 35,-0.1 -0.794 49.7-166.5 -87.8 107.8 -17.3 62.1 12.4 12 12 A T - 0 0 10 -2,-0.9 254,-0.6 126,-0.2 2,-0.2 -0.697 19.0-123.0-103.8 154.4 -20.0 64.8 13.0 13 13 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.554 12.4-140.1 -87.6 151.9 -22.8 65.2 15.6 14 14 A C S S+ 0 0 100 -2,-0.2 2,-0.2 1,-0.1 -2,-0.0 0.025 83.8 2.3-102.6 29.3 -26.4 65.6 14.5 15 15 A A S S- 0 0 68 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.867 103.9 -52.8 167.9 164.7 -27.1 68.2 17.2 16 16 A A - 0 0 94 -2,-0.2 2,-0.5 1,-0.1 -2,-0.1 -0.201 56.9-137.2 -55.0 147.4 -25.4 70.1 20.0 17 17 A E - 0 0 48 -4,-0.1 2,-0.5 22,-0.0 -1,-0.1 -0.940 2.5-139.5-117.4 131.4 -23.6 67.8 22.4 18 18 A E + 0 0 90 -2,-0.5 3,-0.1 1,-0.1 20,-0.0 -0.763 28.0 163.8 -89.8 129.2 -23.6 68.0 26.2 19 19 A S + 0 0 36 -2,-0.5 20,-2.0 19,-0.1 2,-0.3 0.692 55.3 61.4-113.4 -32.3 -20.3 67.3 27.8 20 20 A K B S-F 38 0C 145 18,-0.2 18,-0.2 1,-0.0 15,-0.1 -0.742 86.0-108.6-102.1 149.9 -20.6 68.7 31.4 21 21 A L - 0 0 7 16,-0.9 16,-0.1 13,-0.5 373,-0.1 -0.589 41.9-116.8 -73.1 125.9 -23.0 67.6 34.1 22 22 A P - 0 0 37 0, 0.0 2,-1.4 0, 0.0 5,-0.1 -0.333 24.0-111.7 -63.3 145.7 -25.6 70.4 34.6 23 23 A I + 0 0 140 4,-0.1 3,-0.0 3,-0.0 -3,-0.0 -0.713 55.7 170.2 -81.1 96.4 -25.6 72.1 38.0 24 24 A N > - 0 0 35 -2,-1.4 4,-2.0 1,-0.1 5,-0.2 -0.905 44.0-129.3-115.6 140.8 -29.0 70.8 39.0 25 25 A P T 4 S+ 0 0 106 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.844 108.5 42.7 -55.4 -34.7 -30.6 70.9 42.5 26 26 A L T >> S+ 0 0 65 2,-0.2 4,-0.8 370,-0.1 3,-0.5 0.873 111.3 50.2 -82.0 -39.6 -31.4 67.2 42.4 27 27 A S H >> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 3,-0.8 0.883 105.9 57.9 -68.1 -36.3 -28.1 65.8 41.0 28 28 A N H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.754 98.7 60.0 -65.0 -24.3 -26.1 67.7 43.5 29 29 A S H <4 S+ 0 0 37 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.808 114.5 36.6 -73.6 -27.2 -28.0 66.0 46.4 30 30 A L H << S+ 0 0 0 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.879 134.5 11.7 -88.3 -45.4 -26.7 62.7 45.0 31 31 A L < - 0 0 1 -4,-3.1 -1,-0.3 460,-0.2 460,-0.2 -0.997 54.8-173.2-140.7 126.9 -23.2 63.7 43.9 32 32 A R S S+ 0 0 119 458,-1.7 2,-1.8 457,-0.5 3,-0.2 0.739 73.9 74.8 -93.2 -27.1 -21.4 67.0 44.7 33 33 A H > + 0 0 85 456,-2.2 3,-1.9 1,-0.2 4,-0.2 -0.415 55.2 158.3 -84.9 63.2 -18.2 66.7 42.6 34 34 A H G > + 0 0 43 -2,-1.8 3,-1.5 1,-0.3 -13,-0.5 0.757 62.9 68.4 -59.7 -26.0 -20.1 67.5 39.4 35 35 A N G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.553 92.8 62.5 -72.7 -3.8 -16.9 68.6 37.6 36 36 A M G < S+ 0 0 52 -3,-1.9 111,-3.0 453,-0.1 2,-0.4 0.564 89.7 80.8 -95.0 -9.9 -15.8 65.0 37.8 37 37 A V E < + G 0 146C 4 -3,-1.5 -16,-0.9 -4,-0.2 2,-0.3 -0.829 58.0 168.3-101.5 132.7 -18.6 63.7 35.6 38 38 A Y E -FG 20 145C 8 107,-2.5 107,-2.2 -2,-0.4 2,-0.5 -0.972 30.0-136.2-143.3 158.8 -18.5 64.0 31.9 39 39 A A E - G 0 144C 4 -20,-2.0 105,-0.2 -2,-0.3 2,-0.1 -0.959 30.8-121.6-115.0 128.8 -20.3 62.8 28.7 40 40 A T - 0 0 6 103,-2.9 2,-0.2 -2,-0.5 103,-0.1 -0.399 37.5-177.9 -67.8 144.4 -18.1 61.7 25.7 41 41 A T > - 0 0 9 101,-0.1 3,-1.6 -2,-0.1 113,-0.5 -0.789 44.7 -88.6-135.2-179.0 -18.7 63.6 22.5 42 42 A S G > S+ 0 0 18 1,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.610 109.3 83.1 -69.2 -12.0 -17.6 63.7 18.9 43 43 A R G 3 S+ 0 0 157 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.722 97.1 41.0 -64.3 -20.9 -14.8 66.1 19.9 44 44 A S G X> S+ 0 0 23 -3,-1.6 4,-1.4 1,-0.1 3,-0.6 0.281 82.2 107.1-108.8 9.7 -12.8 63.0 20.8 45 45 A A H <> S+ 0 0 2 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.873 75.4 57.4 -55.3 -39.2 -13.8 60.8 17.8 46 46 A S H 3> S+ 0 0 78 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.865 102.5 54.8 -61.6 -37.5 -10.4 61.2 16.2 47 47 A L H <> S+ 0 0 114 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.904 111.1 44.1 -62.5 -41.7 -8.7 59.7 19.3 48 48 A R H X S+ 0 0 44 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.923 108.2 59.3 -68.9 -42.4 -10.9 56.6 19.1 49 49 A Q H < S+ 0 0 28 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.880 104.3 50.7 -53.0 -41.7 -10.4 56.3 15.3 50 50 A K H >< S+ 0 0 177 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.922 110.9 48.2 -66.4 -40.0 -6.7 56.0 15.8 51 51 A K H 3< S+ 0 0 89 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.3 44.3 -69.2 -35.3 -7.1 53.3 18.3 52 52 A V T 3< S+ 0 0 7 -4,-2.4 2,-0.6 1,-0.1 -1,-0.2 0.311 94.9 91.3 -93.9 9.7 -9.5 51.2 16.3 53 53 A T < + 0 0 35 -3,-0.9 2,-0.3 -4,-0.4 -51,-0.1 -0.895 53.5 112.4-111.7 111.4 -7.7 51.5 13.0 54 54 A F - 0 0 48 -2,-0.6 -51,-2.9 169,-0.1 2,-0.5 -0.988 65.4 -91.4-166.0 163.9 -5.1 48.8 12.2 55 55 A D B -A 2 0A 108 -2,-0.3 2,-0.3 -53,-0.3 -53,-0.2 -0.722 44.4-132.5 -86.4 126.5 -4.3 45.9 9.9 56 56 A R - 0 0 15 -55,-2.2 2,-0.5 -2,-0.5 168,-0.0 -0.625 12.6-155.0 -86.5 138.6 -5.4 42.6 11.3 57 57 A L + 0 0 113 -2,-0.3 2,-0.4 284,-0.2 287,-0.1 -0.930 17.2 176.1-111.4 128.9 -3.2 39.5 11.5 58 58 A Q + 0 0 50 -2,-0.5 2,-0.4 285,-0.1 285,-0.2 -0.976 14.9 174.9-142.6 128.2 -4.8 36.1 11.5 59 59 A V - 0 0 81 283,-3.0 2,-0.3 -2,-0.4 285,-0.1 -0.955 16.9-159.4-130.3 110.2 -3.5 32.5 11.4 60 60 A L + 0 0 56 -2,-0.4 2,-0.2 283,-0.1 -2,-0.0 -0.719 13.4 179.9 -94.9 139.8 -5.9 29.6 11.8 61 61 A D > - 0 0 45 -2,-0.3 4,-2.3 1,-0.0 5,-0.2 -0.575 45.0 -79.6-125.2-173.1 -4.9 26.1 12.9 62 62 A D H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.804 123.5 55.0 -61.2 -35.6 -6.4 22.7 13.6 63 63 A H H > S+ 0 0 65 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.963 109.3 47.9 -64.0 -48.6 -7.7 23.6 17.1 64 64 A Y H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.958 115.4 44.6 -52.9 -53.8 -9.7 26.5 15.6 65 65 A R H X S+ 0 0 90 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.835 112.1 54.0 -63.3 -32.7 -11.0 24.3 12.8 66 66 A D H X S+ 0 0 70 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.945 110.3 44.1 -68.1 -46.9 -11.8 21.5 15.3 67 67 A V H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.908 109.3 58.6 -63.9 -37.8 -13.8 23.8 17.6 68 68 A L H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.916 106.4 47.6 -56.4 -47.1 -15.6 25.3 14.6 69 69 A K H X S+ 0 0 89 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.888 109.1 53.0 -63.0 -42.4 -16.9 21.8 13.5 70 70 A E H X S+ 0 0 91 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.911 110.9 48.3 -58.4 -43.7 -18.1 20.9 17.0 71 71 A M H >X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 3,-0.7 0.926 109.8 51.4 -63.3 -45.8 -20.0 24.2 17.1 72 72 A K H 3X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.869 102.3 60.2 -58.8 -40.1 -21.6 23.6 13.7 73 73 A A H 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 109.8 43.8 -58.1 -32.2 -22.7 20.1 14.7 74 74 A K H X< S+ 0 0 108 -4,-0.9 3,-2.0 -3,-0.7 4,-0.3 0.852 106.6 57.3 -81.4 -37.3 -24.8 21.8 17.4 75 75 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.815 93.5 73.5 -63.1 -23.2 -26.1 24.5 15.2 76 76 A S T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 557,-0.2 0.546 88.4 59.4 -66.7 -9.3 -27.5 21.7 13.1 77 77 A T T < S+ 0 0 71 -3,-2.0 -1,-0.3 556,-0.1 2,-0.2 0.498 88.0 97.8 -96.8 -8.5 -30.2 21.0 15.6 78 78 A V < - 0 0 14 -3,-1.7 163,-2.1 -4,-0.3 2,-0.4 -0.549 50.7-167.4 -87.2 149.0 -31.7 24.4 15.4 79 79 A K B -h 241 0D 136 161,-0.2 2,-0.2 -2,-0.2 163,-0.1 -0.942 11.4-160.8-135.8 108.4 -34.7 25.5 13.4 80 80 A A - 0 0 6 161,-1.5 163,-0.1 -2,-0.4 166,-0.1 -0.587 5.9-150.0 -88.0 154.0 -35.2 29.3 13.1 81 81 A K - 0 0 114 -2,-0.2 -1,-0.1 161,-0.1 91,-0.1 0.654 20.7-127.4-107.6 -14.7 -38.6 30.7 12.2 82 82 A L - 0 0 51 89,-0.2 89,-0.2 87,-0.1 2,-0.2 0.759 27.3-116.9 69.4 110.7 -38.3 34.0 10.3 83 83 A L - 0 0 11 87,-2.3 2,-0.1 86,-0.4 90,-0.0 -0.481 20.9-117.7 -82.9 149.5 -40.4 36.8 11.7 84 84 A S > - 0 0 50 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.419 32.1-106.4 -78.2 161.9 -43.3 38.6 9.9 85 85 A I H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.933 121.9 50.9 -53.9 -45.1 -43.0 42.3 9.2 86 86 A E H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 109.9 46.8 -60.6 -44.8 -45.5 42.9 11.9 87 87 A E H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.905 114.1 50.3 -64.1 -39.5 -43.7 40.9 14.6 88 88 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 4,-0.4 0.912 107.8 51.1 -65.4 -43.0 -40.5 42.6 13.5 89 89 A C H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.894 104.2 60.1 -62.1 -37.6 -41.9 46.1 13.7 90 90 A K H 3< S+ 0 0 124 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 97.7 58.7 -64.2 -21.5 -43.1 45.3 17.2 91 91 A L T << S+ 0 0 21 -3,-1.0 467,-2.0 -4,-0.7 -1,-0.3 0.559 82.9 104.9 -84.2 -7.6 -39.5 44.7 18.3 92 92 A T S < S- 0 0 0 -3,-1.8 465,-0.1 -4,-0.4 464,-0.1 -0.619 74.9-123.0 -79.7 128.8 -38.5 48.2 17.3 93 93 A P > - 0 0 3 0, 0.0 3,-2.2 0, 0.0 16,-0.1 -0.419 17.3-121.7 -69.5 142.0 -38.0 50.6 20.3 94 94 A P T 3 S+ 0 0 34 0, 0.0 12,-0.3 0, 0.0 11,-0.2 0.806 113.5 48.5 -54.4 -30.9 -40.1 53.8 20.3 95 95 A H T 3 S+ 0 0 79 10,-0.1 3,-0.1 9,-0.1 2,-0.0 0.167 81.9 136.2 -97.8 19.7 -36.8 55.9 20.4 96 96 A S < - 0 0 11 -3,-2.2 9,-0.7 1,-0.1 10,-0.2 -0.393 69.9 -85.7 -68.4 144.7 -35.1 54.0 17.6 97 97 A A - 0 0 47 7,-0.1 65,-0.1 1,-0.1 -1,-0.1 -0.232 51.8-112.4 -51.0 128.0 -33.3 56.2 15.0 98 98 A K - 0 0 169 -3,-0.1 6,-0.3 1,-0.1 64,-0.2 -0.236 28.6-108.4 -66.7 150.6 -35.8 57.4 12.3 99 99 A S - 0 0 5 4,-1.5 4,-0.3 62,-0.1 3,-0.3 -0.291 12.1-136.7 -70.5 165.6 -35.5 56.2 8.8 100 100 A K S S+ 0 0 119 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.342 94.2 80.1-102.0 1.7 -34.2 58.6 6.1 101 101 A F S S- 0 0 103 2,-0.2 -1,-0.2 14,-0.0 3,-0.1 -0.005 121.9 -76.7-100.4 28.7 -37.0 57.3 3.8 102 102 A G S S+ 0 0 38 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.830 101.6 68.3 87.4 34.6 -39.9 59.3 5.3 103 103 A Y - 0 0 14 -4,-0.3 -4,-1.5 12,-0.1 -2,-0.2 -0.971 55.7-146.2-172.0 162.1 -40.8 57.7 8.5 104 104 A G > - 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0 0 179 -2,-0.3 -3,-0.1 -3,-0.1 3,-0.1 -0.589 37.2-176.0 -83.1 145.2 -34.2 63.4 30.6 400 403 A T - 0 0 41 -2,-0.2 -5,-0.0 -5,-0.1 0, 0.0 -0.996 36.5-126.5-145.5 147.1 -33.1 60.3 28.7 401 404 A P S S+ 0 0 81 0, 0.0 40,-0.4 0, 0.0 2,-0.4 0.920 103.0 40.9 -55.5 -48.5 -34.8 57.5 26.7 402 405 A I S S- 0 0 30 -3,-0.1 2,-0.7 38,-0.1 40,-0.2 -0.871 73.6-152.0-107.7 138.7 -33.0 54.9 28.8 403 406 A N >> - 0 0 18 38,-2.1 4,-1.6 -2,-0.4 3,-0.7 -0.858 9.3-174.7-111.8 93.3 -32.6 55.1 32.6 404 407 A S H 3> S+ 0 0 28 -2,-0.7 4,-2.8 1,-0.2 5,-0.1 0.765 81.9 64.1 -59.4 -28.6 -29.5 53.2 33.5 405 408 A W H 3> S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 102.1 48.5 -61.7 -43.5 -30.3 53.8 37.2 406 409 A L H <> S+ 0 0 0 -3,-0.7 4,-2.0 1,-0.2 -2,-0.2 0.938 114.7 45.4 -62.6 -47.7 -33.6 51.7 37.0 407 410 A G H X S+ 0 0 6 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.902 111.9 52.3 -61.3 -40.3 -31.7 48.9 35.2 408 411 A N H X S+ 0 0 24 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.829 107.9 51.2 -65.0 -32.5 -28.9 49.1 37.8 409 412 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.896 113.1 46.5 -71.0 -39.9 -31.3 48.8 40.7 410 413 A I H >< S+ 0 0 0 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.954 119.7 37.5 -66.3 -51.6 -32.9 45.8 39.1 411 414 A M H 3< S+ 0 0 24 -4,-2.9 -30,-0.2 1,-0.2 -2,-0.2 0.851 127.8 34.5 -71.9 -33.4 -29.6 44.1 38.3 412 415 A Y T >< S+ 0 0 21 -4,-2.3 3,-1.4 -5,-0.3 6,-0.3 -0.026 73.4 133.8-113.0 33.0 -27.8 45.1 41.4 413 416 A A T < S+ 0 0 0 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.810 71.2 54.2 -51.6 -37.0 -30.7 45.0 44.0 414 417 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 87.6 107.8 -71.6 -24.1 -28.6 43.2 46.6 415 418 A T S <> S- 0 0 0 -3,-1.4 4,-1.9 -34,-0.2 5,-0.3 -0.121 72.7-129.1 -62.8 150.0 -25.7 45.6 46.7 416 419 A L H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 108.5 44.3 -60.3 -43.4 -24.9 48.1 49.4 417 420 A W H >>S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-1.2 0.850 110.6 50.9 -75.6 -37.5 -24.7 51.0 47.0 418 421 A A H 4>S+ 0 0 0 -6,-0.3 5,-2.6 3,-0.2 6,-0.2 0.917 117.8 40.4 -66.7 -41.7 -27.8 50.3 44.9 419 422 A R H <>S+ 0 0 11 -4,-1.9 5,-0.8 -7,-0.2 -2,-0.2 0.965 118.8 42.8 -70.5 -55.5 -29.9 50.0 48.0 420 423 A M H <5S+ 0 0 10 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.883 133.8 12.4 -58.7 -42.6 -28.5 52.8 50.1 421 424 A I T X5S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.894 124.8 44.4-104.7 -62.7 -28.2 55.4 47.3 422 425 A L H >S+ 0 0 14 -4,-3.1 5,-2.7 2,-0.2 6,-0.4 0.915 113.8 45.9 -60.8 -43.8 -40.4 60.1 42.0 431 434 A L H ><5S+ 0 0 28 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.890 112.5 51.1 -68.8 -37.3 -42.6 60.5 45.1 432 435 A A H 3<5S+ 0 0 75 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.933 116.7 39.5 -65.5 -43.4 -41.9 64.3 45.2 433 436 A Q T 3<5S- 0 0 103 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.373 110.9-122.8 -86.2 5.1 -42.8 64.7 41.6 434 437 A E T < 5S+ 0 0 177 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.948 73.6 125.1 52.1 57.9 -45.7 62.2 41.9 435 438 A Q > < + 0 0 69 -5,-2.7 3,-0.6 2,-0.1 -4,-0.2 0.097 22.0 114.7-131.2 21.1 -44.5 59.9 39.2 436 439 A L T 3 S+ 0 0 7 -6,-0.4 18,-0.7 1,-0.2 -5,-0.1 0.779 81.7 52.0 -61.5 -27.9 -44.3 56.5 41.0 437 440 A E T 3 S+ 0 0 129 -7,-0.1 2,-0.6 16,-0.1 -1,-0.2 0.713 87.4 100.8 -80.6 -23.9 -47.1 55.3 38.6 438 441 A K < - 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0 0 16 -5,-0.7 3,-1.1 -4,-0.7 -1,-0.2 -0.123 37.6 -71.5 89.6 169.0 -9.4 -10.9 -7.4 1026 469 B L G > S+ 0 0 48 1,-0.2 3,-2.5 2,-0.2 4,-0.3 0.857 121.4 73.5 -68.0 -34.0 -7.7 -13.8 -9.2 1027 470 B S G > S+ 0 0 21 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.658 79.0 80.5 -58.0 -11.3 -10.4 -16.3 -8.6 1028 471 B A G < S+ 0 0 2 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.810 92.0 47.6 -64.4 -31.0 -12.4 -14.4 -11.2 1029 472 B F G < S+ 0 0 4 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.404 119.0 40.6 -89.6 1.1 -10.4 -16.1 -14.0 1030 473 B T S < S+ 0 0 31 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.176 77.7 134.0-135.0 20.8 -11.0 -19.5 -12.4 1031 474 B L + 0 0 8 -3,-0.4 2,-0.3 -4,-0.2 -99,-0.2 -0.495 23.1 151.7 -76.2 144.3 -14.6 -19.6 -11.1 1032 475 B H B +I 931 0R 83 -101,-2.4 -101,-2.3 -2,-0.2 -2,-0.0 -0.961 39.5 57.7-159.6 168.8 -16.7 -22.7 -11.9 1033 476 B S - 0 0 66 -2,-0.3 -1,-0.2 -103,-0.2 -101,-0.0 0.961 70.0-164.8 67.1 52.4 -19.6 -24.6 -10.4 1034 477 B Y - 0 0 17 1,-0.1 -104,-0.2 -104,-0.1 -1,-0.1 -0.205 31.5 -79.1 -65.1 161.5 -22.0 -21.7 -10.4 1035 478 B S > - 0 0 11 -106,-0.9 4,-2.3 1,-0.1 3,-0.5 -0.283 36.0-118.5 -64.6 146.1 -25.2 -22.0 -8.4 1036 479 B P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.878 115.4 52.5 -50.4 -43.1 -28.1 -24.0 -9.9 1037 480 B G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.885 108.5 49.6 -64.1 -37.6 -30.3 -20.8 -9.8 1038 481 B E H > S+ 0 0 3 -3,-0.5 4,-2.7 2,-0.2 3,-0.3 0.970 110.5 48.0 -65.8 -52.6 -27.7 -18.8 -11.7 1039 482 B I H X S+ 0 0 73 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.879 109.3 56.5 -56.2 -38.1 -27.2 -21.3 -14.4 1040 483 B N H X S+ 0 0 103 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.909 109.4 43.7 -61.0 -44.7 -30.9 -21.5 -14.8 1041 484 B R H X S+ 0 0 60 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.908 118.0 45.3 -67.1 -43.7 -31.3 -17.8 -15.4 1042 485 B V H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.948 115.4 46.2 -64.3 -49.1 -28.4 -17.7 -17.8 1043 486 B A H X S+ 0 0 31 -4,-3.4 4,-1.8 -5,-0.2 -2,-0.2 0.891 113.9 49.1 -62.4 -39.8 -29.5 -20.9 -19.7 1044 487 B S H X S+ 0 0 57 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.933 108.9 53.0 -65.6 -43.3 -33.0 -19.6 -19.9 1045 488 B C H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.868 107.8 51.8 -58.8 -37.2 -31.8 -16.3 -21.2 1046 489 B L H X>S+ 0 0 20 -4,-2.0 5,-2.4 1,-0.2 4,-1.4 0.891 109.6 47.1 -68.3 -39.5 -29.8 -18.0 -23.9 1047 490 B R H <5S+ 0 0 169 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.769 113.6 53.3 -73.4 -21.7 -32.8 -20.1 -25.2 1048 491 B K H <5S+ 0 0 79 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.911 117.3 30.9 -78.7 -46.5 -34.8 -16.8 -25.1 1049 492 B L H <5S- 0 0 0 -4,-2.3 -455,-2.1 -5,-0.1 -456,-0.2 0.644 111.3-113.0 -87.0 -13.8 -32.6 -14.5 -27.2 1050 493 B G T <5 + 0 0 1 -4,-1.4 -457,-1.6 -5,-0.3 -3,-0.2 0.897 54.0 169.6 81.7 43.4 -31.3 -17.4 -29.3 1051 494 B V < - 0 0 8 -5,-2.4 -1,-0.2 -459,-0.2 -459,-0.2 -0.740 39.6-102.3 -90.8 139.3 -27.7 -17.2 -28.0 1052 495 B P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.175 41.3-106.8 -57.8 150.9 -25.3 -20.0 -29.0 1053 496 B P >> - 0 0 74 0, 0.0 3,-2.2 0, 0.0 4,-1.2 -0.332 34.6 -95.3 -77.1 161.6 -24.6 -22.7 -26.3 1054 497 B L H 3> S+ 0 0 69 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.810 120.1 70.9 -45.4 -40.4 -21.3 -23.0 -24.4 1055 498 B R H 3> S+ 0 0 193 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.840 103.9 40.4 -46.3 -40.2 -20.1 -25.6 -27.0 1056 499 B T H <> S+ 0 0 33 -3,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.793 115.2 50.1 -82.3 -33.8 -19.8 -22.8 -29.6 1057 500 B W H X S+ 0 0 2 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.859 106.6 55.2 -73.6 -36.6 -18.3 -20.2 -27.2 1058 501 B R H X S+ 0 0 79 -4,-3.5 4,-2.6 2,-0.2 -1,-0.2 0.921 112.3 44.7 -59.3 -43.0 -15.7 -22.7 -26.0 1059 502 B H H X S+ 0 0 131 -4,-1.0 4,-2.3 -5,-0.3 -2,-0.2 0.975 115.4 45.6 -63.4 -57.4 -14.7 -23.2 -29.6 1060 503 B R H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.872 113.4 52.9 -53.5 -39.0 -14.7 -19.4 -30.4 1061 504 B A H X S+ 0 0 0 -4,-3.2 4,-3.5 2,-0.2 5,-0.3 0.978 106.7 49.2 -63.2 -57.0 -12.8 -18.8 -27.2 1062 505 B R H X S+ 0 0 95 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.908 112.0 50.4 -48.1 -48.0 -10.0 -21.2 -27.9 1063 506 B S H X S+ 0 0 48 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.940 114.9 42.4 -57.2 -47.7 -9.6 -19.7 -31.3 1064 507 B V H X S+ 0 0 3 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.836 110.5 57.2 -67.3 -34.9 -9.5 -16.2 -29.8 1065 508 B R H X S+ 0 0 35 -4,-3.5 4,-1.9 -5,-0.2 -1,-0.2 0.859 107.5 49.8 -64.9 -35.2 -7.2 -17.4 -27.1 1066 509 B A H >X S+ 0 0 56 -4,-2.1 4,-2.2 -5,-0.3 3,-0.6 0.995 109.6 46.0 -65.7 -66.6 -4.8 -18.6 -29.7 1067 510 B K H 3X S+ 0 0 111 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.747 114.8 52.6 -49.9 -25.2 -4.6 -15.4 -31.8 1068 511 B L H 3< S+ 0 0 0 -4,-1.3 4,-0.4 -5,-0.2 -1,-0.3 0.892 108.8 46.1 -79.5 -41.6 -4.2 -13.6 -28.5 1069 512 B L H << S+ 0 0 53 -4,-1.9 3,-0.5 -3,-0.6 -2,-0.2 0.796 109.4 58.0 -70.7 -26.5 -1.3 -15.7 -27.2 1070 513 B S H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.936 100.1 53.6 -69.2 -48.0 0.4 -15.4 -30.6 1071 514 B Q S < S- 0 0 112 -4,-1.3 -1,-0.2 -5,-0.2 4,-0.2 0.597 97.1-161.1 -64.2 -9.4 0.6 -11.6 -30.7 1072 515 B G >> + 0 0 27 -3,-0.5 3,-0.8 -4,-0.4 4,-0.5 0.108 47.4 71.3 53.2-172.9 2.3 -11.8 -27.3 1073 516 B G H >> S- 0 0 60 1,-0.2 4,-1.8 2,-0.2 3,-0.5 -0.327 117.4 -20.9 70.2-153.9 2.5 -8.8 -25.0 1074 517 B R H 3> S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.853 137.8 62.2 -59.1 -33.6 -0.6 -7.5 -23.2 1075 518 B A H <> S+ 0 0 7 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.902 103.0 49.9 -58.0 -41.4 -2.7 -9.3 -25.8 1076 519 B A H S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.2 5,-0.6 0.968 110.4 37.8 -67.3 -50.6 -5.5 -11.4 -22.1 1079 522 B G H X5S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.911 112.8 60.4 -64.1 -40.9 -6.0 -14.8 -23.6 1080 523 B R H <5S+ 0 0 97 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.894 124.0 14.9 -53.4 -48.0 -4.0 -16.3 -20.8 1081 524 B Y H ><5S+ 0 0 12 -4,-2.0 3,-1.1 -5,-0.2 4,-0.2 0.876 124.6 51.6 -98.0 -47.9 -6.4 -15.1 -18.1 1082 525 B L H 3<5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.4 3,-0.2 0.793 123.9 29.9 -63.1 -28.4 -9.6 -14.1 -19.7 1083 526 B F T ><> - 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