==== 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 HYDROLASE 16-AUG-12 4B74 . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS (ISOLATE BK); . AUTHOR S.M.SAALAU-BETHELL,A.J.WOODHEAD,G.CHESSARI,M.G.CARR,J.COYLE, . 1287 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 863 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 186 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 0.2 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 . 98 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 3 1 2 0 6 4 4 0 3 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 2 2 10 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 PARALLEL BRIDGES PER LADDER . 4 4 10 4 10 0 0 4 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 6 0 0 2 2 1 3 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 1 705 A G 0 0 72 0, 0.0 76,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.5 16.4 32.2 -36.2 2 706 A S - 0 0 6 32,-2.4 76,-0.2 74,-0.1 2,-0.2 -0.671 360.0-105.9 -97.0 152.9 14.9 32.6 -39.7 3 707 A V B -a 78 0A 0 74,-3.2 76,-2.7 -2,-0.3 2,-0.4 -0.573 43.8-149.5 -65.5 145.7 14.9 30.2 -42.5 4 708 A V E -C 51 0B 0 47,-2.0 47,-1.9 -2,-0.2 2,-0.6 -0.982 13.9-129.1-127.0 134.4 17.5 31.4 -45.1 5 709 A I E +C 50 0B 8 -2,-0.4 45,-0.2 74,-0.2 36,-0.1 -0.724 33.1 167.2 -75.2 118.9 17.7 31.0 -48.8 6 710 A V E - 0 0 21 43,-2.9 18,-3.1 -2,-0.6 19,-1.3 0.419 61.5 -18.5-114.7 -3.1 21.2 29.6 -49.6 7 711 A G E -CD 49 23B 2 42,-1.4 42,-2.2 16,-0.3 2,-0.3 -0.965 59.3-123.6-176.0-169.1 20.7 28.7 -53.2 8 712 A R E -CD 48 22B 18 14,-2.2 14,-2.4 -2,-0.3 2,-0.5 -0.976 10.9-134.1-155.1 156.5 18.2 27.9 -55.9 9 713 A I E -CD 47 21B 0 38,-2.9 38,-0.8 -2,-0.3 2,-0.4 -0.982 25.1-150.0-118.4 114.4 17.3 25.2 -58.4 10 714 A I E - D 0 20B 30 10,-3.2 10,-1.7 -2,-0.5 2,-0.3 -0.756 8.7-153.5 -93.4 129.5 16.7 26.5 -61.9 11 715 A L E - D 0 19B 20 -2,-0.4 8,-0.2 8,-0.2 6,-0.1 -0.791 23.6-105.9-101.9 140.7 14.3 24.6 -64.1 12 716 A S - 0 0 42 6,-2.1 -1,-0.1 -2,-0.3 3,-0.1 -0.356 18.6-151.9 -63.3 144.2 14.4 24.6 -67.9 13 717 A G S S+ 0 0 89 4,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.364 76.6 25.7 -99.7 2.9 11.6 26.7 -69.6 14 718 A S S S+ 0 0 99 2,-0.2 -1,-0.0 148,-0.0 -2,-0.0 -0.963 103.2 14.3-156.5 164.3 11.5 24.5 -72.7 15 719 A G S S- 0 0 76 -2,-0.3 3,-0.1 2,-0.1 -3,-0.0 -0.095 110.6 -1.0 65.8-163.5 12.2 21.0 -73.9 16 720 A S S S- 0 0 101 1,-0.1 2,-0.6 -3,-0.0 -2,-0.2 0.592 89.9 -99.2 -79.0 129.4 12.7 18.1 -71.6 17 3 A I + 0 0 30 -6,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.875 60.0 156.8 -51.3 121.9 12.5 19.2 -67.8 18 4 A T - 0 0 79 -2,-0.6 -6,-2.1 -3,-0.1 2,-0.3 -0.895 19.0-162.9-136.9 168.0 16.1 19.6 -66.5 19 5 A A E -D 11 0B 22 106,-0.4 2,-0.3 -2,-0.3 -8,-0.2 -0.988 13.1-169.2-153.6 162.3 17.6 21.5 -63.7 20 6 A Y E -D 10 0B 94 -10,-1.7 -10,-3.2 -2,-0.3 2,-0.3 -0.971 21.1-128.1-147.4 153.3 20.7 22.9 -62.2 21 7 A S E -D 9 0B 35 -2,-0.3 989,-0.5 -12,-0.3 2,-0.4 -0.688 10.4-162.5-101.8 155.4 21.6 24.5 -58.8 22 8 A Q E -De 81010B 34 -14,-2.4 -14,-2.2 -2,-0.3 2,-0.4 -0.993 14.0-144.2-131.8 129.3 23.2 27.7 -57.9 23 9 A Q E +D 7 0B 90 987,-2.3 -16,-0.3 -2,-0.4 3,-0.1 -0.819 20.5 175.0 -90.4 135.3 24.6 28.3 -54.4 24 10 A T + 0 0 33 -18,-3.1 2,-0.3 -2,-0.4 -17,-0.2 0.465 59.1 36.4-117.7 -7.6 24.1 31.9 -53.2 25 11 A R - 0 0 29 -19,-1.3 -1,-0.2 4,-0.0 2,-0.1 -0.999 61.5-141.5-153.9 140.0 25.4 31.7 -49.6 26 12 A G > - 0 0 39 -2,-0.3 4,-2.4 -3,-0.1 5,-0.1 -0.290 44.4 -91.4 -85.5-178.5 28.0 30.1 -47.5 27 13 A L H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 126.2 48.0 -58.6 -51.4 27.7 28.9 -43.9 28 14 A L H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.947 113.2 47.8 -58.5 -49.3 28.8 32.2 -42.4 29 15 A G H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 111.4 52.5 -55.2 -41.6 26.4 34.1 -44.6 30 16 A C H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 110.7 45.3 -62.0 -48.5 23.6 31.6 -43.7 31 17 A I H X S+ 0 0 8 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 114.8 47.8 -63.9 -44.5 24.1 32.0 -39.9 32 18 A I H X S+ 0 0 71 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.937 113.4 47.6 -62.0 -45.4 24.2 35.8 -40.1 33 19 A T H X S+ 0 0 10 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.861 111.0 51.7 -65.8 -34.1 21.2 36.0 -42.3 34 20 A S H < S+ 0 0 9 -4,-2.2 -32,-2.4 -5,-0.2 -1,-0.2 0.835 112.8 45.6 -70.8 -31.6 19.3 33.6 -40.0 35 21 A L H < S+ 0 0 119 -4,-1.9 -2,-0.2 -34,-0.2 -1,-0.2 0.910 122.9 33.2 -75.8 -49.1 20.1 35.7 -36.9 36 22 A T H < S- 0 0 72 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.818 91.1-145.6 -76.4 -29.1 19.3 39.1 -38.4 37 23 A G < + 0 0 0 -4,-2.2 43,-2.1 -5,-0.3 2,-0.6 0.609 60.3 123.3 69.2 14.1 16.5 37.8 -40.6 38 24 A R B -k 80 0C 135 -6,-0.3 2,-0.6 41,-0.3 -1,-0.2 -0.927 38.8-177.1-116.5 113.2 17.5 40.3 -43.2 39 25 A D - 0 0 4 41,-2.2 44,-0.1 -2,-0.6 43,-0.1 -0.906 10.7-179.4-120.5 104.9 18.4 39.0 -46.6 40 26 A K + 0 0 150 -2,-0.6 -1,-0.1 40,-0.1 42,-0.0 0.788 49.2 108.5 -72.3 -31.1 19.6 41.5 -49.2 41 27 A N S S- 0 0 68 1,-0.1 2,-0.2 -36,-0.1 -36,-0.1 -0.168 73.2-122.2 -56.8 134.7 20.1 39.0 -52.1 42 28 A Q - 0 0 122 62,-0.1 2,-0.3 1,-0.1 62,-0.2 -0.506 29.9-128.7 -72.5 148.1 17.6 39.3 -54.8 43 29 A V + 0 0 11 60,-0.9 2,-0.3 -2,-0.2 -1,-0.1 -0.676 30.0 176.0 -97.6 155.6 15.8 36.0 -55.3 44 30 A E + 0 0 84 -2,-0.3 61,-0.2 61,-0.1 60,-0.0 -0.958 39.3 36.0-148.4 161.3 15.5 34.3 -58.6 45 31 A G S S- 0 0 10 59,-0.3 61,-1.2 -2,-0.3 -35,-0.1 -0.019 76.2-102.2 84.0 171.3 14.0 31.0 -59.8 46 32 A E S S+ 0 0 33 -37,-0.4 15,-3.2 59,-0.2 2,-0.6 0.681 101.8 63.1-105.4 -24.4 11.0 29.2 -58.5 47 33 A V E -CF 9 60B 0 -38,-0.8 -38,-2.9 13,-0.2 2,-0.3 -0.903 69.4-165.4-109.3 116.3 12.7 26.5 -56.4 48 34 A Q E -CF 8 59B 2 11,-3.6 11,-2.7 -2,-0.6 2,-0.6 -0.753 17.7-137.6-100.9 145.0 14.7 27.8 -53.5 49 35 A V E -CF 7 58B 13 -42,-2.2 -43,-2.9 -2,-0.3 -42,-1.4 -0.913 34.0-173.1 -95.4 122.4 17.3 25.9 -51.4 50 36 A V E -CF 5 57B 0 7,-2.4 7,-2.7 -2,-0.6 2,-0.3 -0.833 11.5-175.7-124.3 157.6 16.7 26.8 -47.8 51 37 A S E -CF 4 56B 19 -47,-1.9 -47,-2.0 -2,-0.3 5,-0.2 -0.996 14.2-167.7-152.7 139.9 18.4 26.1 -44.5 52 38 A T - 0 0 5 3,-2.7 -49,-0.1 -2,-0.3 -21,-0.1 -0.381 55.1 -88.0-101.7-166.8 18.1 26.7 -40.8 53 39 A A S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.2 -22,-0.1 0.840 127.5 40.4 -72.5 -31.5 21.1 26.0 -38.5 54 40 A T S S+ 0 0 126 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.700 122.2 6.6 -93.1 -21.7 20.1 22.4 -38.1 55 41 A Q - 0 0 77 17,-0.1 -3,-2.7 96,-0.0 2,-0.4 -0.997 51.5-135.3-161.9 166.1 19.0 21.4 -41.6 56 42 A S E +F 51 0B 34 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.939 34.0 139.0-126.4 145.5 18.6 22.1 -45.3 57 43 A F E -F 50 0B 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.3 -0.764 42.3 -86.4-160.3-163.0 15.6 21.4 -47.5 58 44 A L E -F 49 0B 0 95,-2.6 11,-0.4 -9,-0.2 2,-0.4 -0.863 18.7-160.1-124.5 158.1 13.7 23.1 -50.4 59 45 A A E -F 48 0B 0 -11,-2.7 -11,-3.6 -2,-0.3 2,-0.5 -0.997 11.0-154.4-134.4 144.7 10.9 25.6 -50.9 60 46 A T E -FG 47 67B 0 7,-2.1 7,-2.5 -2,-0.4 2,-0.5 -0.959 12.8-135.0-121.9 123.9 8.9 26.0 -54.1 61 47 A C E + G 0 66B 1 -15,-3.2 47,-2.7 -2,-0.5 2,-0.4 -0.668 30.5 170.2 -76.7 123.5 7.2 29.2 -55.1 62 48 A V E > -hG 108 65B 3 3,-3.0 3,-1.8 -2,-0.5 47,-0.2 -0.983 65.9 -14.7-136.3 125.8 3.7 28.5 -56.4 63 49 A N T 3 S- 0 0 58 45,-2.0 3,-0.1 -2,-0.4 46,-0.1 0.771 128.9 -47.9 55.2 38.7 1.2 31.3 -57.1 64 50 A G T 3 S+ 0 0 37 1,-0.2 37,-3.2 44,-0.2 2,-0.4 0.408 119.4 103.8 87.7 -0.4 3.1 34.0 -55.2 65 51 A V E < -GI 62 100B 3 -3,-1.8 -3,-3.0 35,-0.3 2,-0.8 -0.954 65.0-142.1-117.0 132.7 3.6 31.9 -52.1 66 52 A C E -GI 61 99B 1 33,-3.3 33,-2.3 -2,-0.4 -5,-0.3 -0.853 32.7-165.3 -92.6 107.2 6.9 30.3 -51.3 67 53 A W E +GI 60 98B 0 -7,-2.5 -7,-2.1 -2,-0.8 2,-0.3 -0.644 19.6 148.6 -99.8 147.6 5.8 26.9 -49.8 68 54 A T E - I 0 97B 0 29,-2.4 29,-3.0 -2,-0.2 2,-0.3 -0.883 45.4 -69.5-158.0-169.2 7.7 24.3 -47.8 69 55 A V >> - 0 0 0 -11,-0.4 4,-2.8 -2,-0.3 3,-0.7 -0.672 22.3-141.3 -99.8 143.4 7.2 21.6 -45.1 70 56 A Y H 3> S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.847 102.9 63.4 -68.7 -32.3 6.4 22.2 -41.5 71 57 A H H 34 S+ 0 0 24 1,-0.2 -1,-0.2 24,-0.2 25,-0.0 0.748 115.4 33.9 -64.4 -19.5 8.7 19.4 -40.4 72 58 A G H <4 S+ 0 0 5 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.852 132.3 24.6 -95.1 -48.6 11.5 21.4 -41.9 73 59 A A H >< S- 0 0 0 -4,-2.8 3,-2.0 1,-0.3 -3,-0.2 0.662 78.4-170.2 -94.6 -17.2 10.6 25.1 -41.3 74 60 A G T 3< - 0 0 0 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.420 69.4 -40.5 49.6-132.8 8.3 24.8 -38.3 75 61 A S T 3 S+ 0 0 31 267,-0.1 12,-0.4 -2,-0.1 -1,-0.2 0.112 98.5 143.5-103.9 14.1 6.7 28.2 -37.8 76 62 A K < - 0 0 60 -3,-2.0 -74,-0.1 10,-0.1 2,-0.1 -0.140 49.6-118.5 -62.9 152.0 9.9 30.1 -38.5 77 63 A T - 0 0 38 -76,-0.3 -74,-3.2 9,-0.1 2,-0.4 -0.373 25.8-117.1 -74.5 165.1 10.1 33.4 -40.4 78 64 A L B -aB 3 85A 0 7,-2.3 7,-2.4 -76,-0.2 -74,-0.2 -0.940 27.3-114.3-109.5 126.9 11.9 33.7 -43.7 79 65 A A + 0 0 3 -76,-2.7 -41,-0.3 -2,-0.4 -74,-0.2 -0.406 49.5 177.1 -64.2 133.6 14.9 36.1 -43.9 80 66 A G B > -k 38 0C 1 -43,-2.1 -41,-2.2 3,-0.3 3,-1.6 -0.825 44.7 -97.9-141.0 172.3 13.8 38.9 -46.3 81 67 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.0 0, 0.0 -41,-0.0 0.856 125.1 34.8 -65.6 -39.2 15.0 42.2 -47.8 82 68 A K T 3 S- 0 0 167 1,-0.4 -44,-0.1 -43,-0.1 -42,-0.1 0.091 131.7 -80.3 -97.1 16.9 13.1 44.3 -45.3 83 69 A G S < S- 0 0 7 -3,-1.6 -1,-0.4 -46,-0.1 -3,-0.3 -0.664 84.6 -6.9 112.5-171.4 13.6 41.8 -42.4 84 70 A P - 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0 0 58 -50,-0.3 -1,-0.2 2,-0.1 -50,-0.0 -0.996 51.3-148.5-157.5 137.1 19.7 28.9 -24.9 492 478 A P + 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 0.663 64.2 119.2 -82.5 -20.0 17.2 30.9 -27.1 493 479 A G + 0 0 38 1,-0.0 2,-0.3 -25,-0.0 -26,-0.2 -0.140 38.7 179.2 -39.9 136.7 16.8 28.0 -29.5 494 480 A E - 0 0 47 -28,-0.1 -26,-0.2 -23,-0.0 3,-0.1 -0.868 15.2-148.2-151.2 110.1 13.3 26.7 -29.7 495 481 A R B -j 468 0J 82 -28,-2.4 -26,-1.5 -2,-0.3 2,-0.1 -0.322 41.3 -69.3 -82.2 164.5 12.4 23.8 -32.1 496 482 A P - 0 0 31 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.284 52.2-134.2 -63.5 131.0 9.0 23.5 -33.8 497 483 A S S S+ 0 0 1 -155,-0.6 -156,-0.3 1,-0.2 3,-0.1 -0.321 71.4 37.9 -74.8 157.1 6.0 22.6 -31.6 498 484 A G S S+ 0 0 9 1,-0.2 40,-3.0 -158,-0.2 2,-0.3 0.485 79.3 112.1 90.3 9.4 3.3 20.0 -32.1 499 485 A M B -k 538 0K 54 -3,-0.4 2,-0.3 38,-0.2 -1,-0.2 -0.856 42.3-165.3-112.1 147.2 5.0 17.0 -33.7 500 486 A F - 0 0 19 38,-2.4 40,-0.5 -2,-0.3 2,-0.1 -0.989 19.6-110.1-139.2 154.4 5.5 13.6 -32.1 501 487 A D >> - 0 0 49 -2,-0.3 3,-1.8 -53,-0.2 4,-0.6 -0.297 25.3-117.2 -80.8 154.5 7.7 10.6 -32.9 502 488 A S H >> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.9 0.789 110.4 73.8 -56.6 -31.5 6.5 7.2 -34.1 503 489 A S H 3> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.798 90.7 56.8 -53.4 -29.8 7.9 5.8 -30.8 504 490 A V H <> S+ 0 0 17 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.812 103.6 52.1 -71.2 -31.7 4.9 7.4 -29.1 505 491 A L H S+ 0 0 8 -4,-2.7 4,-3.2 2,-0.2 5,-1.3 0.906 109.5 55.1 -70.1 -42.1 -0.0 0.9 -23.1 512 498 A G H <5S+ 0 0 0 -4,-2.7 6,-2.9 1,-0.2 4,-0.3 0.907 116.0 38.4 -52.2 -46.0 -3.2 -0.5 -24.6 513 499 A C H <5S+ 0 0 27 -4,-2.1 -2,-0.2 4,-0.2 4,-0.2 0.846 122.5 42.4 -73.1 -39.6 -1.9 -4.0 -24.1 514 500 A A H <5S+ 0 0 6 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.915 132.8 8.4 -78.2 -45.1 -0.2 -3.4 -20.7 515 501 A W T <5S+ 0 0 132 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.752 126.7 41.1-111.2 -34.3 -2.9 -1.3 -18.9 516 502 A Y S - 0 0 71 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.463 32.3-106.3 -67.2 153.6 -6.2 -5.4 -28.6 520 506 A P H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.906 123.0 54.4 -49.8 -43.8 -3.9 -3.8 -31.2 521 507 A A H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 26,-0.1 0.916 108.2 49.3 -56.2 -43.9 -6.9 -3.5 -33.5 522 508 A E H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.939 110.6 49.4 -61.7 -47.1 -8.9 -1.7 -30.8 523 509 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.888 106.5 57.3 -55.7 -41.7 -6.0 0.7 -30.2 524 510 A S H X S+ 0 0 16 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.853 103.5 53.3 -58.2 -38.9 -5.8 1.3 -34.0 525 511 A V H X S+ 0 0 75 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.943 112.8 43.5 -62.5 -47.7 -9.5 2.5 -34.0 526 512 A R H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.920 115.5 47.2 -64.8 -42.5 -8.8 5.0 -31.2 527 513 A L H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.899 107.7 57.5 -69.1 -39.4 -5.5 6.2 -32.7 528 514 A R H X S+ 0 0 79 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.914 105.0 50.6 -53.7 -44.8 -7.2 6.5 -36.2 529 515 A A H < S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.924 111.8 48.6 -61.2 -42.6 -9.8 8.9 -34.7 530 516 A Y H >< S+ 0 0 2 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.941 112.8 46.9 -59.1 -47.1 -6.9 10.9 -33.2 531 517 A L H 3< S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 107.2 57.7 -70.4 -27.6 -5.0 11.0 -36.6 532 518 A N T 3< S+ 0 0 111 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.401 89.8 92.1 -78.1 3.9 -8.1 11.9 -38.5 533 519 A T X - 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0 0 29 -3,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.358 35.6 -98.9 -63.8 150.0 3.1 -12.5 -22.4 557 543 A D > - 0 0 53 19,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.624 31.4-150.2 -70.6 122.4 4.2 -13.6 -18.9 558 544 A A H > S+ 0 0 73 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.812 91.1 54.3 -70.1 -29.6 1.8 -11.9 -16.6 559 545 A H H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 108.9 46.7 -71.6 -49.5 4.2 -11.7 -13.7 560 546 A F H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.936 113.8 50.2 -51.6 -47.9 6.9 -10.0 -15.7 561 547 A L H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.892 108.0 51.5 -62.9 -40.6 4.3 -7.6 -17.1 562 548 A S H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 111.7 50.0 -63.0 -35.7 2.9 -6.8 -13.6 563 549 A Q H X S+ 0 0 65 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.906 111.4 45.1 -70.2 -41.4 6.5 -6.0 -12.5 564 550 A T H X>S+ 0 0 13 -4,-2.5 4,-1.1 2,-0.2 5,-0.5 0.867 112.6 52.9 -73.0 -31.6 7.4 -3.7 -15.4 565 551 A K H ><5S+ 0 0 52 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.981 111.8 44.2 -59.6 -56.8 4.0 -1.9 -15.0 566 552 A Q H 3<5S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.818 106.3 61.6 -60.9 -27.9 4.6 -1.2 -11.3 567 553 A A H 3<5S- 0 0 34 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.780 99.7-141.7 -74.6 -23.2 8.2 -0.2 -12.0 568 554 A G T <<5 + 0 0 37 -4,-1.1 -3,-0.1 -3,-1.0 -2,-0.1 0.484 47.5 139.9 86.5 2.0 6.9 2.6 -14.1 569 555 A D < - 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