==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 08-DEC-05 2FAV . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB (PP1AB) (ORF1AB); . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.P.EGLOFF,H.MALET,MARSEILLES STRUCTURAL GENOMICS PROGRAM @ . 514 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 5.6 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 . 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 . 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 . 51 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 1 1 5 2 0 3 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 6 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 . 1 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 2 A E 0 0 214 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.4 32.8 4.1 62.9 2 3 A P - 0 0 88 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.457 360.0-149.6 -60.0 138.8 29.2 4.9 64.2 3 4 A V + 0 0 59 1,-0.2 28,-0.2 -2,-0.1 3,-0.1 -0.650 63.7 28.0-107.6 165.8 26.7 3.2 61.9 4 5 A N + 0 0 34 27,-1.8 2,-1.6 26,-0.2 27,-0.2 0.904 64.4 170.5 55.1 47.4 23.2 4.0 60.7 5 6 A Q + 0 0 103 25,-3.3 2,-0.4 -3,-0.3 -1,-0.2 -0.506 10.6 169.7 -89.9 66.4 23.7 7.7 61.1 6 7 A F + 0 0 32 -2,-1.6 2,-0.3 -3,-0.1 3,-0.0 -0.672 3.3 158.9 -86.0 127.6 20.5 8.7 59.3 7 8 A T + 0 0 102 -2,-0.4 -2,-0.0 1,-0.1 23,-0.0 -0.990 46.2 33.0-146.0 154.9 19.5 12.3 59.5 8 9 A G S S+ 0 0 60 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.626 79.1 146.5 78.0 15.6 17.3 14.9 57.7 9 10 A Y - 0 0 38 10,-0.1 2,-0.7 8,-0.0 -1,-0.3 -0.527 50.1-131.8 -84.8 152.4 14.6 12.3 56.7 10 11 A L E -A 18 0A 30 8,-2.8 8,-2.5 -2,-0.2 2,-0.9 -0.915 21.9-142.2 -94.6 119.1 10.9 12.7 56.4 11 12 A K E +A 17 0A 77 -2,-0.7 6,-0.3 6,-0.2 3,-0.1 -0.708 21.5 179.2 -84.1 105.2 9.2 9.9 58.2 12 13 A L S S- 0 0 38 4,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.832 74.3 -6.0 -74.3 -36.1 6.3 8.9 56.1 13 14 A T S S- 0 0 47 3,-1.5 -1,-0.1 -3,-0.1 131,-0.0 -0.815 90.5 -87.3-141.1-177.9 5.2 6.1 58.4 14 15 A D S S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.762 129.0 35.4 -71.2 -17.5 6.9 4.7 61.5 15 16 A N S S+ 0 0 32 1,-0.1 136,-2.9 132,-0.1 2,-0.5 0.620 110.1 60.4-102.1 -24.3 8.9 2.3 59.1 16 17 A V E + b 0 151A 0 134,-0.2 -4,-1.9 136,-0.1 -3,-1.5 -0.958 55.4 175.6-123.3 126.0 9.6 4.3 55.9 17 18 A A E -Ab 11 152A 0 134,-2.2 136,-2.9 -2,-0.5 2,-0.3 -0.920 11.1-156.0-127.8 149.4 11.6 7.5 55.7 18 19 A I E +Ab 10 153A 0 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.3 -0.964 11.4 177.5-132.5 144.9 12.6 9.6 52.6 19 20 A K E - b 0 154A 42 134,-2.0 136,-2.6 -2,-0.3 2,-1.1 -0.992 32.7-125.2-142.6 145.5 15.4 12.1 51.8 20 21 A C E + b 0 155A 56 -2,-0.3 2,-0.3 134,-0.2 136,-0.2 -0.744 68.0 112.4 -93.8 93.6 16.2 13.9 48.5 21 22 A V S S- 0 0 30 134,-1.4 2,-0.3 -2,-1.1 -2,-0.1 -0.980 75.2 -91.1-161.6 149.7 19.9 12.8 48.1 22 23 A D > - 0 0 52 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.562 37.5-133.0 -66.8 130.5 22.2 10.7 46.0 23 24 A I H > S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.859 104.3 50.1 -62.4 -35.8 22.4 7.2 47.5 24 25 A V H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 111.9 47.5 -67.8 -43.7 26.2 7.0 47.2 25 26 A K H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.936 113.5 49.7 -55.6 -49.0 26.6 10.4 49.0 26 27 A E H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.881 105.4 55.3 -63.4 -38.0 24.1 9.2 51.6 27 28 A A H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.894 109.0 49.7 -58.6 -38.5 26.0 5.9 52.1 28 29 A Q H < S+ 0 0 153 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.934 116.7 40.6 -67.8 -42.4 29.1 7.9 52.9 29 30 A S H < S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 123.0 37.5 -70.2 -42.2 27.2 10.2 55.3 30 31 A A H < S- 0 0 0 -4,-3.1 -25,-3.3 -5,-0.2 -26,-0.2 0.694 83.0-149.1 -90.7 -19.8 25.1 7.5 57.1 31 32 A N < - 0 0 63 -4,-1.9 -27,-1.8 -5,-0.3 -3,-0.1 0.958 29.1-158.0 47.4 58.5 27.6 4.6 57.2 32 33 A P - 0 0 1 0, 0.0 58,-1.1 0, 0.0 3,-0.1 -0.284 26.1-140.1 -70.7 152.7 24.7 2.1 56.9 33 34 A X S S+ 0 0 51 1,-0.2 58,-2.3 56,-0.2 2,-0.4 0.842 93.8 27.3 -68.3 -35.5 24.8 -1.5 58.1 34 35 A V E -c 91 0A 0 87,-0.2 89,-2.5 56,-0.2 2,-0.4 -0.994 63.7-174.0-135.2 129.0 22.8 -2.5 55.0 35 36 A I E -cd 92 123A 0 56,-2.4 58,-2.4 -2,-0.4 2,-0.5 -0.966 21.1-136.4-114.8 142.5 22.5 -0.9 51.5 36 37 A V E -c 93 0A 0 87,-2.6 2,-0.4 -2,-0.4 58,-0.2 -0.847 12.2-155.0 -95.8 131.6 20.0 -2.2 48.9 37 38 A N E -c 94 0A 0 56,-2.0 58,-2.5 -2,-0.5 2,-1.3 -0.839 17.2-133.0 -99.4 138.9 21.1 -2.5 45.4 38 39 A A E +c 95 0A 18 -2,-0.4 12,-0.5 56,-0.2 58,-0.2 -0.721 48.5 175.1 -88.8 89.4 18.5 -2.4 42.6 39 40 A A - 0 0 0 56,-1.5 58,-0.5 -2,-1.3 2,-0.3 -0.304 33.1-129.2 -94.3 170.0 19.9 -5.5 40.8 40 41 A N > - 0 0 48 56,-0.1 3,-2.0 4,-0.1 35,-0.2 -0.746 40.5-100.3-107.3 169.2 18.9 -7.7 37.8 41 42 A I T 3 S+ 0 0 45 1,-0.3 34,-2.3 -2,-0.3 55,-0.0 0.768 123.1 52.3 -63.5 -24.4 18.8 -11.5 38.2 42 43 A H T 3 S- 0 0 95 32,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.444 105.5-127.6 -88.4 4.1 22.2 -11.9 36.6 43 44 A L < + 0 0 0 -3,-2.0 2,-0.9 1,-0.2 -2,-0.1 0.871 50.9 159.4 47.3 43.2 23.8 -9.4 39.0 44 45 A K - 0 0 146 2,-0.1 2,-1.8 21,-0.1 -1,-0.2 -0.851 30.6-153.4 -92.2 103.2 25.3 -7.5 36.0 45 46 A H + 0 0 6 -2,-0.9 2,-0.3 -3,-0.1 17,-0.1 -0.487 46.9 116.7 -91.2 73.1 25.9 -4.2 37.8 46 47 A G + 0 0 55 -2,-1.8 4,-0.2 8,-0.1 3,-0.1 -0.966 52.9 27.6-132.8 149.7 25.7 -1.6 35.1 47 48 A G S > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.328 102.0 2.4 82.0 151.5 23.3 1.2 34.6 48 49 A G H > S- 0 0 38 138,-0.2 4,-1.6 1,-0.2 -1,-0.2 -0.010 128.4 -13.6 39.3-132.7 21.2 3.3 37.0 49 50 A V H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.903 135.7 56.6 -64.8 -47.4 21.7 2.5 40.7 50 51 A A H > S+ 0 0 4 -12,-0.5 4,-2.5 -3,-0.4 -1,-0.2 0.888 108.8 46.5 -54.6 -45.4 23.6 -0.8 40.2 51 52 A G H X S+ 0 0 16 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.900 112.1 51.3 -64.2 -40.2 26.3 0.9 38.1 52 53 A A H X S+ 0 0 39 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.920 113.3 44.1 -64.0 -47.2 26.7 3.7 40.6 53 54 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.937 113.8 49.1 -64.2 -47.0 27.1 1.4 43.5 54 55 A N H ><>S+ 0 0 27 -4,-2.5 5,-2.1 -5,-0.2 3,-0.6 0.933 111.4 50.5 -61.1 -43.5 29.5 -0.9 41.6 55 56 A K H ><5S+ 0 0 140 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.912 105.5 56.0 -57.4 -42.3 31.6 2.1 40.5 56 57 A A H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 108.4 49.5 -61.1 -28.9 31.7 3.4 44.1 57 58 A T T X<5S- 0 0 6 -4,-1.3 3,-1.8 -3,-0.6 -1,-0.3 0.288 113.1-119.3 -89.5 7.0 33.2 -0.0 45.0 58 59 A N T < 5S- 0 0 155 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.845 73.7 -55.7 53.3 36.0 35.8 0.1 42.2 59 60 A G T 3> S+ 0 0 40 -3,-1.8 4,-2.3 -6,-0.3 5,-0.2 0.886 74.3 55.7 -61.4 -38.1 34.6 -5.1 43.9 61 62 A X H > S+ 0 0 0 -7,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.916 108.3 47.3 -59.2 -43.4 30.8 -5.6 44.0 62 63 A Q H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.882 109.2 53.5 -66.2 -40.1 30.9 -7.0 40.4 63 64 A K H X S+ 0 0 145 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.948 113.0 42.8 -60.8 -49.0 33.8 -9.4 41.3 64 65 A E H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.902 114.4 51.7 -63.6 -41.7 31.9 -10.8 44.3 65 66 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.889 106.7 53.1 -65.4 -40.2 28.7 -11.0 42.3 66 67 A D H X S+ 0 0 87 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.911 110.4 48.3 -57.8 -44.2 30.4 -12.9 39.4 67 68 A D H X S+ 0 0 92 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.928 111.1 50.8 -62.7 -44.3 31.6 -15.4 42.0 68 69 A Y H X S+ 0 0 55 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.936 111.1 47.1 -56.3 -52.2 28.1 -15.7 43.4 69 70 A I H X S+ 0 0 42 -4,-2.7 4,-2.5 3,-0.2 -2,-0.2 0.922 110.1 54.2 -59.1 -47.5 26.6 -16.3 39.9 70 71 A K H < S+ 0 0 174 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.919 120.4 30.6 -48.2 -49.7 29.2 -18.9 39.1 71 72 A L H < S+ 0 0 133 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.796 137.6 20.2 -83.6 -31.2 28.5 -21.0 42.2 72 73 A N H < S- 0 0 101 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.548 93.4-136.7-121.8 -13.6 24.8 -20.3 42.7 73 74 A G < - 0 0 18 -4,-2.5 -3,-0.1 -5,-0.4 -1,-0.1 0.057 46.0 -28.0 68.9 178.6 23.3 -19.1 39.4 74 75 A P - 0 0 70 0, 0.0 -32,-0.2 0, 0.0 -33,-0.1 -0.069 58.2-119.9 -65.8 158.2 20.9 -16.2 38.8 75 76 A L - 0 0 18 -34,-2.3 2,-0.4 -35,-0.2 -34,-0.1 -0.119 27.9-111.1 -77.7-179.8 18.3 -14.8 41.1 76 77 A T > - 0 0 107 -36,-0.1 3,-2.9 4,-0.0 20,-0.3 -0.909 38.4 -93.2-113.4 148.4 14.5 -14.7 40.4 77 78 A V T 3 S+ 0 0 30 -2,-0.4 20,-0.2 1,-0.3 3,-0.1 -0.444 120.4 25.9 -61.3 128.4 12.6 -11.5 39.8 78 79 A G T 3 S+ 0 0 8 18,-2.6 -1,-0.3 1,-0.4 37,-0.2 0.289 108.8 105.0 95.2 -6.5 11.2 -10.5 43.2 79 80 A G < - 0 0 19 -3,-2.9 17,-2.5 17,-0.1 -1,-0.4 -0.328 49.3-164.9 -98.6 177.2 14.1 -12.3 44.9 80 81 A S E -E 95 0A 32 15,-0.2 2,-0.3 -2,-0.1 15,-0.2 -0.988 11.4-153.5-153.7 161.6 17.3 -11.2 46.6 81 82 A C E -E 94 0A 11 13,-1.5 13,-2.9 -2,-0.3 2,-0.5 -0.985 21.3-127.6-136.1 154.7 20.7 -12.3 47.9 82 83 A L E +E 93 0A 73 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.865 38.8 159.4-102.0 124.8 22.8 -10.8 50.7 83 84 A L E -E 92 0A 20 9,-2.9 9,-2.7 -2,-0.5 2,-0.1 -0.675 48.1 -61.4-130.3-179.1 26.4 -10.0 49.7 84 85 A S E -E 91 0A 42 7,-0.3 7,-0.3 -2,-0.2 6,-0.1 -0.420 32.0-149.6 -61.9 145.6 29.2 -7.8 51.0 85 86 A G >> - 0 0 0 5,-2.2 3,-2.4 1,-0.3 4,-1.4 0.339 29.5-165.9 -94.3 3.2 28.5 -4.0 51.1 86 87 A H T 34 - 0 0 55 4,-0.4 -1,-0.3 1,-0.3 3,-0.1 -0.151 64.6 -16.4 52.8-128.1 32.2 -3.3 50.5 87 88 A N T 34 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.434 136.1 62.0 -88.0 -2.0 33.0 0.3 51.2 88 89 A L T <4 S- 0 0 10 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.833 120.6 -25.6 -88.2 -38.5 29.4 1.5 51.0 89 90 A A < - 0 0 6 -4,-1.4 -1,-0.3 -58,-0.1 -4,-0.2 -0.931 66.0 -95.4-164.2 170.5 27.9 -0.5 53.9 90 91 A K S S+ 0 0 141 -58,-1.1 -5,-2.2 -2,-0.3 -4,-0.4 0.947 108.3 18.2 -64.2 -46.7 28.6 -3.7 55.9 91 92 A K E -cE 34 84A 40 -58,-2.3 -56,-2.4 -7,-0.3 2,-0.5 -0.918 64.4-149.6-127.1 146.4 26.1 -5.7 53.8 92 93 A C E -cE 35 83A 0 -9,-2.7 -9,-2.9 -2,-0.3 2,-0.8 -0.980 7.6-156.4-116.7 122.2 24.5 -5.2 50.4 93 94 A L E -cE 36 82A 3 -58,-2.4 -56,-2.0 -2,-0.5 2,-0.8 -0.863 12.2-154.3 -92.7 105.5 21.0 -6.7 49.8 94 95 A H E -cE 37 81A 0 -13,-2.9 -13,-1.5 -2,-0.8 2,-0.4 -0.769 18.0-176.3 -80.8 111.8 20.7 -7.2 46.1 95 96 A V E -cE 38 80A 0 -58,-2.5 -56,-1.5 -2,-0.8 2,-0.8 -0.944 18.6-144.8-117.4 133.6 17.0 -7.1 45.3 96 97 A V - 0 0 3 -17,-2.5 -18,-2.6 -2,-0.4 -56,-0.1 -0.828 17.4-172.4-101.5 106.0 15.5 -7.6 41.9 97 98 A G - 0 0 2 -2,-0.8 12,-0.1 -58,-0.5 31,-0.1 -0.552 40.0 -83.8 -84.9 162.0 12.4 -5.5 41.2 98 99 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 36,-0.2 -0.375 32.1-136.0 -65.5 142.4 10.4 -6.1 38.0 99 100 A N > > - 0 0 37 1,-0.2 5,-2.3 34,-0.1 3,-1.5 -0.878 16.7-170.6 -98.0 103.4 11.6 -4.5 34.8 100 101 A L G > 5S+ 0 0 31 32,-2.2 3,-1.6 -2,-0.8 33,-0.2 0.823 86.6 59.8 -61.7 -31.9 8.4 -3.1 33.2 101 102 A N G 3 5S+ 0 0 55 31,-0.7 -1,-0.3 30,-0.3 32,-0.1 0.594 104.2 51.3 -73.6 -10.8 10.3 -2.3 30.1 102 103 A A G < 5S- 0 0 64 -3,-1.5 -1,-0.3 30,-0.2 -2,-0.2 0.164 125.7-105.9-102.0 12.1 11.1 -6.0 29.9 103 104 A G T < 5 + 0 0 69 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.677 68.1 154.0 73.8 21.0 7.4 -6.8 30.3 104 105 A E < - 0 0 66 -5,-2.3 2,-0.3 1,-0.1 -1,-0.2 -0.522 52.8 -98.8 -83.4 145.9 7.8 -8.0 33.9 105 106 A D > - 0 0 93 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.512 19.9-143.5 -73.8 130.3 4.7 -7.7 36.1 106 107 A I T > S+ 0 0 41 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.742 96.1 72.9 -64.2 -24.1 4.7 -4.6 38.4 107 108 A Q T >> S+ 0 0 134 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.707 78.1 77.3 -63.1 -21.4 3.0 -6.6 41.1 108 109 A L H <> S+ 0 0 60 -3,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.626 73.5 80.7 -63.8 -11.6 6.4 -8.4 41.6 109 110 A L H <> S+ 0 0 0 -3,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.778 85.2 59.2 -63.0 -27.8 7.4 -5.2 43.4 110 111 A K H <> S+ 0 0 126 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.975 108.6 42.0 -64.7 -54.1 5.5 -6.6 46.5 111 112 A A H X S+ 0 0 44 -4,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.904 114.2 54.1 -53.5 -44.5 7.8 -9.7 46.5 112 113 A A H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.953 111.4 43.2 -58.9 -55.3 10.8 -7.4 45.8 113 114 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 4,-0.5 0.809 100.8 70.1 -64.7 -28.5 10.0 -5.1 48.8 114 115 A E H >< S+ 0 0 80 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.838 87.3 67.5 -55.1 -32.8 9.3 -8.1 51.1 115 116 A N G X< S+ 0 0 33 -3,-1.0 3,-1.8 -4,-0.9 -1,-0.3 0.803 86.7 68.0 -54.9 -30.3 13.0 -8.9 51.0 116 117 A F G X S+ 0 0 0 -3,-1.6 3,-1.7 -4,-0.4 -1,-0.2 0.798 85.2 71.1 -62.8 -28.3 13.6 -5.7 53.0 117 118 A N G < S+ 0 0 39 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.573 82.4 72.3 -64.5 -10.8 11.9 -7.4 55.9 118 119 A S G < S+ 0 0 76 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.3 0.508 96.3 54.4 -83.4 -5.2 15.0 -9.6 56.3 119 120 A Q S < S- 0 0 33 -3,-1.7 31,-0.1 -4,-0.1 3,-0.1 -0.977 75.7-138.3-130.3 148.5 17.1 -6.8 57.7 120 121 A D S S+ 0 0 99 -2,-0.4 30,-2.3 1,-0.2 2,-0.3 0.833 87.9 13.9 -73.4 -39.7 16.4 -4.5 60.6 121 122 A I E S+ f 0 150A 42 28,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.992 73.2 177.9-143.6 130.8 17.6 -1.2 59.1 122 123 A L E - 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