==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-SEP-10 2XRW . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.BARKAI,I.TOEOROE,A.GARAI,A.REMENYI . 360 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 5 0 2 0 1 1 0 0 0 0 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 0 2 1 1 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 . 1 0 1 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 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 G 0 0 94 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.8 38.7 30.4 24.1 2 2 A S + 0 0 109 1,-0.2 3,-0.4 2,-0.1 0, 0.0 0.875 360.0 35.4 -73.7 -39.8 36.6 33.3 22.8 3 3 A R S > S+ 0 0 139 1,-0.2 3,-2.2 2,-0.1 4,-0.3 0.432 87.2 101.6 -94.7 -3.0 33.4 31.1 22.5 4 4 A S G > + 0 0 42 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.743 66.5 74.1 -55.0 -26.4 34.2 29.0 25.7 5 5 A K G > S+ 0 0 173 -3,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.804 85.4 66.5 -59.2 -26.4 31.7 31.1 27.7 6 6 A R G X S+ 0 0 43 -3,-2.2 3,-2.1 1,-0.2 -1,-0.3 0.784 82.8 74.3 -64.7 -29.5 28.9 29.2 25.8 7 7 A D G X S+ 0 0 78 -3,-1.5 3,-1.8 -4,-0.3 -1,-0.2 0.791 81.6 69.8 -56.6 -29.9 29.9 25.9 27.4 8 8 A N G < S+ 0 0 116 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.534 83.3 72.8 -70.3 -5.1 28.3 27.0 30.8 9 9 A N G < S+ 0 0 87 -3,-2.1 15,-1.9 -4,-0.1 -1,-0.3 0.614 100.5 50.3 -78.5 -10.2 24.8 26.8 29.1 10 10 A F E < -A 23 0A 15 -3,-1.8 2,-0.3 13,-0.3 13,-0.2 -0.762 60.1-163.9-127.4 161.9 25.1 23.0 29.3 11 11 A Y E -A 22 0A 77 11,-2.0 11,-2.3 -2,-0.2 2,-0.3 -0.956 20.8-123.2-141.0 164.4 25.9 20.1 31.6 12 12 A S E +A 21 0A 72 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.843 21.4 179.4-114.7 145.3 26.7 16.4 31.0 13 13 A V E -A 20 0A 45 7,-2.4 7,-3.1 -2,-0.3 2,-0.5 -0.997 29.3-120.4-140.2 139.3 25.2 13.2 32.2 14 14 A E E -A 19 0A 152 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.715 25.7-177.9 -82.4 125.9 26.2 9.6 31.5 15 15 A I E > -A 18 0A 18 3,-3.4 3,-1.5 -2,-0.5 2,-0.2 -0.920 63.3 -60.8-123.0 99.5 23.5 7.5 29.8 16 16 A G T 3 S- 0 0 59 -2,-0.5 -1,-0.0 1,-0.2 0, 0.0 -0.445 119.5 -15.7 58.9-124.6 24.9 4.0 29.3 17 17 A D T 3 S+ 0 0 176 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.044 127.2 78.7 -97.4 23.2 28.0 4.2 27.1 18 18 A S E < S-A 15 0A 17 -3,-1.5 -3,-3.4 2,-0.0 2,-0.5 -0.968 70.2-135.2-133.2 149.2 27.1 7.7 26.0 19 19 A T E -A 14 0A 72 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.909 14.4-156.8-100.7 125.6 27.4 11.2 27.4 20 20 A F E -A 13 0A 0 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.6 -0.934 7.2-170.8 -96.7 124.2 24.4 13.5 26.9 21 21 A T E +A 12 0A 32 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.959 23.6 162.4-118.6 108.4 25.4 17.2 27.1 22 22 A V E -A 11 0A 0 -11,-2.3 -11,-2.0 -2,-0.6 -2,-0.0 -0.826 45.1 -78.4-130.6 161.1 22.3 19.2 27.3 23 23 A L E > -A 10 0A 19 -2,-0.3 3,-2.3 -13,-0.2 -13,-0.3 -0.309 47.5-115.6 -57.3 145.3 20.9 22.6 28.1 24 24 A K T 3 S+ 0 0 98 -15,-1.9 -1,-0.1 1,-0.3 22,-0.1 0.746 109.6 73.2 -62.4 -22.2 20.5 23.0 31.9 25 25 A R T 3 S+ 0 0 50 20,-0.1 21,-3.0 21,-0.1 2,-0.7 0.753 82.7 80.1 -59.4 -24.5 16.7 23.4 31.6 26 26 A Y E < -B 45 0B 1 -3,-2.3 2,-0.3 19,-0.2 19,-0.2 -0.786 69.0-178.8 -95.0 117.1 16.6 19.6 30.8 27 27 A Q E +B 44 0B 78 17,-3.1 17,-2.6 -2,-0.7 -2,-0.0 -0.772 46.3 14.2-120.0 153.2 16.7 17.6 34.1 28 28 A N E S- 0 0 123 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.906 71.7-159.6 57.6 49.7 16.8 14.0 35.2 29 29 A L E + 0 0 10 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.397 14.2 177.6 -64.0 138.3 17.4 12.3 31.9 30 30 A K E -B 42 0B 132 12,-1.9 12,-2.9 -2,-0.1 2,-0.1 -0.995 33.4-105.5-141.5 139.9 16.5 8.7 31.7 31 31 A P E +B 41 0B 88 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.425 38.5 165.5 -71.7 136.3 16.7 6.3 28.7 32 32 A I E - 0 0 91 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.466 61.6 -21.0-124.7 -10.4 13.4 5.5 27.0 33 33 A G E -B 40 0B 35 7,-1.5 7,-2.5 2,-0.0 -1,-0.4 -0.968 47.7-142.0 176.6 171.5 14.6 4.0 23.7 34 34 A S E +B 39 0B 104 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.983 15.7 170.7-149.5 149.6 17.3 3.6 21.0 35 35 A G - 0 0 57 3,-2.2 -2,-0.0 -2,-0.3 5,-0.0 -0.628 52.4 -81.5-137.4-158.7 17.4 3.3 17.3 36 36 A A S S+ 0 0 118 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.862 124.0 36.0 -80.4 -39.2 20.1 3.3 14.6 37 37 A Q S S+ 0 0 53 1,-0.1 21,-0.7 20,-0.1 2,-0.3 0.865 122.0 9.9 -83.4 -42.9 20.6 7.0 14.4 38 38 A G E - C 0 57B 6 19,-0.1 -3,-2.2 17,-0.0 2,-0.4 -0.877 55.5-123.0-146.8 165.0 20.1 8.1 18.0 39 39 A I E -BC 34 56B 60 17,-1.0 17,-2.3 -2,-0.3 2,-0.5 -0.922 33.8-150.2-109.9 134.6 19.6 7.4 21.7 40 40 A V E +BC 33 55B 29 -7,-2.5 -8,-2.8 -2,-0.4 -7,-1.5 -0.944 15.5 179.1-118.5 132.2 16.5 8.8 23.3 41 41 A C E -BC 31 54B 0 13,-2.7 13,-2.8 -2,-0.5 2,-0.3 -0.823 25.4-128.4-119.2 154.9 15.9 10.0 26.8 42 42 A A E +BC 30 53B 18 -12,-2.9 -12,-1.9 -2,-0.3 2,-0.3 -0.793 35.9 173.8 -90.6 150.4 13.0 11.4 28.7 43 43 A A E - C 0 52B 2 9,-2.3 9,-2.8 -2,-0.3 2,-0.6 -0.987 34.6-115.9-150.6 157.0 13.7 14.6 30.6 44 44 A Y E -BC 27 51B 79 -17,-2.6 -17,-3.1 -2,-0.3 2,-0.8 -0.892 24.1-147.5 -96.6 123.3 11.9 17.3 32.6 45 45 A D E >> -BC 26 50B 0 5,-2.9 4,-1.5 -2,-0.6 5,-1.4 -0.816 7.9-165.0 -90.3 107.6 12.1 20.7 31.0 46 46 A A T 45S+ 0 0 37 -21,-3.0 -1,-0.1 -2,-0.8 -20,-0.1 0.676 85.8 52.4 -70.5 -17.7 12.2 23.1 33.9 47 47 A I T 45S+ 0 0 113 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.895 118.8 32.6 -83.9 -43.8 11.3 26.1 31.7 48 48 A L T 45S- 0 0 75 2,-0.2 -2,-0.2 -23,-0.1 -1,-0.1 0.583 101.8-134.6 -84.9 -11.7 8.2 24.5 30.1 49 49 A E T <5 + 0 0 146 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.934 69.4 99.3 53.3 48.1 7.4 22.6 33.3 50 50 A R E + 0 0 109 43,-2.6 3,-1.7 -2,-0.5 -1,-0.2 0.924 65.6 175.8 49.9 56.4 27.7 13.0 13.2 60 60 A P T 3 S+ 0 0 6 0, 0.0 3,-0.4 0, 0.0 10,-0.3 0.724 77.5 60.9 -63.3 -13.1 24.5 13.4 11.0 61 61 A F T 3 + 0 0 19 1,-0.2 277,-0.2 41,-0.2 6,-0.1 0.107 63.4 122.6 -95.8 18.9 26.9 14.5 8.2 62 62 A Q S < S- 0 0 100 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.838 87.4 -8.9 -60.7 -31.2 28.9 11.3 8.1 63 63 A N S > S- 0 0 57 -3,-0.4 4,-2.3 271,-0.1 5,-0.2 -0.939 81.5 -93.2-151.2 177.4 28.0 10.9 4.4 64 64 A Q H > S+ 0 0 97 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.844 120.5 50.3 -64.1 -35.8 25.7 12.6 1.9 65 65 A T H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 113.5 44.2 -71.3 -46.4 22.8 10.2 2.4 66 66 A H H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 113.7 52.4 -59.6 -41.7 22.8 10.5 6.2 67 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.925 108.5 49.4 -67.2 -43.1 23.2 14.3 5.9 68 68 A K H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.916 112.3 47.9 -61.2 -42.3 20.3 14.7 3.5 69 69 A R H X S+ 0 0 66 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 114.1 47.0 -64.7 -43.7 18.0 12.6 5.8 70 70 A A H X S+ 0 0 2 -4,-2.5 4,-2.0 -10,-0.3 -2,-0.2 0.921 113.3 47.1 -65.1 -46.0 19.1 14.6 8.9 71 71 A Y H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.925 112.5 50.1 -62.4 -44.0 18.7 18.0 7.3 72 72 A R H X S+ 0 0 53 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.884 107.9 54.2 -64.0 -35.9 15.3 17.1 5.9 73 73 A E H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.916 110.2 46.2 -64.7 -44.2 14.2 15.8 9.4 74 74 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.940 115.6 45.9 -61.0 -48.4 15.1 19.2 11.0 75 75 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.938 117.7 41.9 -62.5 -46.0 13.4 21.2 8.3 76 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.894 110.6 53.5 -74.9 -39.7 10.2 19.1 8.2 77 77 A M H < S+ 0 0 4 -4,-2.5 11,-0.8 -5,-0.3 -1,-0.2 0.914 113.4 47.6 -63.9 -34.6 9.8 18.6 12.0 78 78 A K H < S+ 0 0 111 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.958 118.1 36.5 -66.8 -50.7 10.0 22.5 12.2 79 79 A C H < S+ 0 0 33 -4,-2.2 242,-0.3 -5,-0.2 2,-0.3 0.788 101.7 83.1 -83.0 -23.6 7.6 23.4 9.5 80 80 A V < + 0 0 10 -4,-2.6 8,-0.3 -5,-0.2 2,-0.3 -0.590 48.4 175.5 -78.0 138.0 5.1 20.6 10.0 81 81 A N + 0 0 156 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.761 25.2 136.2-140.7 91.3 2.4 21.1 12.7 82 82 A H > - 0 0 13 3,-0.4 3,-2.1 -2,-0.3 232,-0.1 -0.999 58.6-124.5-141.4 141.5 -0.0 18.1 12.7 83 83 A K T 3 S+ 0 0 99 -2,-0.3 82,-0.1 1,-0.3 4,-0.1 0.663 110.4 49.6 -62.2 -19.3 -1.5 16.1 15.5 84 84 A N T 3 S+ 0 0 2 230,-0.1 83,-2.5 82,-0.1 2,-0.4 0.222 100.8 72.0-106.3 18.0 -0.2 12.8 14.0 85 85 A I B < S-f 167 0C 6 -3,-2.1 -3,-0.4 81,-0.3 83,-0.2 -0.995 93.4-104.4-130.3 133.5 3.4 13.9 13.4 86 86 A I - 0 0 3 81,-2.8 2,-0.3 -2,-0.4 -6,-0.1 -0.272 38.9-128.3 -60.9 136.9 5.8 14.4 16.3 87 87 A G - 0 0 26 -4,-0.1 22,-1.0 -6,-0.1 2,-0.6 -0.666 8.5-125.8 -92.3 144.5 6.4 18.1 17.1 88 88 A L E +E 108 0B 29 -11,-0.8 20,-0.2 -8,-0.3 3,-0.1 -0.799 29.1 170.9 -87.7 119.0 9.8 19.8 17.4 89 89 A L E - 0 0 35 18,-2.9 2,-0.3 -2,-0.6 19,-0.2 0.788 65.0 -19.8 -93.2 -36.7 10.1 21.7 20.7 90 90 A N E -E 107 0B 3 17,-1.6 17,-2.9 259,-0.1 -1,-0.4 -0.979 50.2-159.6-163.9 160.2 13.8 22.6 20.5 91 91 A V E +E 106 0B 0 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.974 23.6 151.8-148.1 141.1 17.1 21.7 18.8 92 92 A F E -E 105 0B 0 13,-1.9 13,-2.8 -2,-0.3 254,-0.1 -0.988 32.4-140.2-157.9 163.9 20.7 22.5 19.9 93 93 A T - 0 0 0 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.999 9.6-151.9-127.2 136.8 24.3 21.5 19.8 94 94 A P S S+ 0 0 10 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 0.619 71.6 98.5 -80.3 -9.8 26.5 21.8 22.9 95 95 A Q - 0 0 37 8,-0.4 -2,-0.1 1,-0.1 6,-0.1 -0.558 67.6-146.7 -80.4 145.9 29.6 22.2 20.7 96 96 A K + 0 0 39 -2,-0.2 2,-0.3 4,-0.0 -1,-0.1 0.435 68.5 32.1 -97.4 -0.9 30.7 25.8 20.2 97 97 A S S > S- 0 0 22 1,-0.1 4,-1.5 -94,-0.0 -2,-0.0 -0.972 77.9-109.6-150.8 160.5 32.1 25.9 16.7 98 98 A L T 4 S+ 0 0 50 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.927 117.4 55.4 -56.8 -44.8 31.7 24.4 13.2 99 99 A E T 4 S+ 0 0 174 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.906 114.8 36.7 -60.1 -43.8 35.0 22.6 13.7 100 100 A E T 4 S+ 0 0 91 2,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.642 89.5 121.0 -82.8 -14.6 34.0 20.9 16.9 101 101 A F < + 0 0 0 -4,-1.5 3,-0.1 -3,-0.4 241,-0.1 -0.278 17.1 129.1 -59.4 123.4 30.4 20.3 16.0 102 102 A Q + 0 0 74 1,-0.2 -43,-2.6 -2,-0.1 2,-0.4 0.510 52.0 66.2-134.7 -35.2 29.3 16.7 16.0 103 103 A D E -D 58 0B 19 -45,-0.2 2,-0.4 -44,-0.1 -8,-0.4 -0.834 49.8-168.0-111.7 135.2 26.1 16.2 18.0 104 104 A V E -D 57 0B 1 -47,-2.7 -47,-3.3 -2,-0.4 2,-0.5 -0.950 9.0-158.1-114.0 128.5 22.5 17.4 17.4 105 105 A Y E -DE 56 92B 1 -13,-2.8 -13,-1.9 -2,-0.4 2,-0.5 -0.954 4.7-163.9-109.7 123.9 19.9 17.2 20.2 106 106 A I E -DE 55 91B 1 -51,-2.6 -51,-2.7 -2,-0.5 2,-0.5 -0.941 4.9-156.7-110.1 121.6 16.3 17.2 19.1 107 107 A V E +DE 54 90B 0 -17,-2.9 -18,-2.9 -2,-0.5 -17,-1.6 -0.888 22.1 167.9-103.3 128.2 13.7 17.9 21.8 108 108 A M E -DE 53 88B 12 -55,-2.8 -55,-2.9 -2,-0.5 -20,-0.2 -0.862 43.7 -76.0-132.3 163.8 10.2 16.6 21.2 109 109 A E E -D 52 0B 22 -22,-1.0 2,-0.6 -2,-0.3 -57,-0.2 -0.358 55.4-115.2 -55.3 142.4 6.9 16.0 22.9 110 110 A L - 0 0 48 -59,-0.6 2,-0.2 -67,-0.1 -1,-0.1 -0.776 33.2-171.7 -90.6 117.9 7.1 12.9 25.1 111 111 A M - 0 0 20 -2,-0.6 49,-0.2 1,-0.1 3,-0.1 -0.461 27.2-119.9 -98.7 173.2 4.9 10.1 24.1 112 112 A D S S- 0 0 89 47,-1.9 2,-0.3 1,-0.3 48,-0.2 0.799 74.4 -20.4 -88.7 -31.9 4.4 6.9 26.1 113 113 A A E -G 159 0C 15 46,-1.6 46,-2.8 249,-0.0 -1,-0.3 -0.980 61.2-101.2-164.9 163.6 5.6 4.0 24.0 114 114 A N E >> -G 158 0C 62 -2,-0.3 3,-0.7 44,-0.3 4,-0.5 -0.442 48.0 -98.3 -88.2 173.5 6.3 2.9 20.4 115 115 A L H 3> S+ 0 0 0 42,-1.9 4,-2.1 39,-1.7 3,-0.2 0.661 101.6 91.7 -71.0 -12.3 3.8 0.7 18.5 116 116 A C H 3> S+ 0 0 62 38,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.886 89.8 38.8 -51.1 -50.4 5.7 -2.5 19.3 117 117 A Q H <> S+ 0 0 55 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.816 111.6 59.4 -76.9 -23.8 3.8 -3.5 22.5 118 118 A V H >< S+ 0 0 0 -4,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.911 98.9 59.5 -62.9 -41.6 0.5 -2.3 21.2 119 119 A I H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 87,-0.2 0.842 105.8 47.5 -58.7 -32.4 0.9 -4.8 18.3 120 120 A Q H 3< S+ 0 0 124 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.596 95.5 95.9 -87.7 -11.6 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233 248 A F H X4 S+ 0 0 3 -3,-0.9 3,-1.9 1,-0.2 -1,-0.2 0.922 109.8 55.8 -67.6 -46.4 4.8 -6.5 -12.6 234 249 A M H >< S+ 0 0 8 -4,-1.9 3,-1.7 1,-0.3 -2,-0.2 0.843 99.1 61.2 -58.6 -34.0 7.9 -8.6 -13.6 235 250 A K T 3< S+ 0 0 125 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.620 95.0 63.5 -69.9 -13.6 8.5 -6.4 -16.6 236 251 A K T < S+ 0 0 120 -3,-1.9 -1,-0.3 -4,-0.3 -50,-0.3 0.456 86.5 97.1 -87.3 -3.3 9.0 -3.4 -14.4 237 252 A L S < S- 0 0 12 -3,-1.7 -53,-0.1 -4,-0.2 -52,-0.1 -0.628 84.7-105.4 -88.4 144.5 12.1 -4.9 -12.8 238 253 A Q > - 0 0 118 -55,-0.4 4,-3.0 -2,-0.3 3,-0.3 -0.358 43.3-104.9 -58.0 148.7 15.6 -4.2 -13.7 239 254 A P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.857 117.8 44.8 -54.0 -44.1 17.0 -7.1 -15.7 240 255 A T H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 116.8 46.7 -67.3 -37.8 19.2 -8.6 -13.0 241 256 A V H > S+ 0 0 31 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.916 109.4 54.6 -68.8 -41.1 16.5 -8.3 -10.4 242 257 A R H X S+ 0 0 76 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.885 104.6 53.8 -60.9 -40.3 14.0 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-17.9 0.0 -19.1 -5.5 253 268 A G - 0 0 26 -29,-0.3 2,-0.3 -30,-0.1 -1,-0.2 -0.207 18.9 -76.9 82.8-177.0 -0.4 -17.5 -2.0 254 269 A Y - 0 0 121 -27,-0.0 2,-0.0 1,-0.0 0, 0.0 -0.894 41.2-104.3-120.2 151.6 -3.3 -17.8 0.4 255 270 A S > - 0 0 63 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.326 34.6-113.6 -64.1 156.2 -6.7 -16.2 0.4 256 271 A F H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.784 119.0 61.3 -67.5 -20.1 -7.1 -13.4 2.9 257 272 A E H 4 S+ 0 0 117 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.871 109.3 41.8 -68.7 -37.0 -9.6 -15.6 4.7 258 273 A K H 4 S+ 0 0 136 -3,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.886 115.9 48.9 -76.3 -38.2 -6.8 -18.1 5.2 259 274 A L H < S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.876 129.0 21.8 -67.1 -35.6 -4.2 -15.4 6.1 260 275 A F S < S- 0 0 3 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.658 85.4-174.1-136.4 72.1 -6.5 -13.7 8.6 261 276 A P > - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.270 39.8-104.4 -70.9 160.4 -9.2 -16.2 9.7 262 277 A D G > S+ 0 0 67 1,-0.3 3,-2.1 2,-0.2 -5,-0.0 0.795 114.7 70.7 -54.0 -33.1 -12.1 -15.3 12.0 263 278 A V G 3 S+ 0 0 128 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.740 93.1 56.8 -60.2 -23.0 -10.4 -16.9 15.0 264 279 A L G < S+ 0 0 72 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.548 109.2 54.4 -83.6 -9.5 -7.9 -14.1 15.1 265 280 A F S < S- 0 0 13 -3,-2.1 -141,-0.1 -4,-0.3 7,-0.0 -0.815 99.4 -85.2-115.1 162.9 -10.7 -11.5 15.4 266 281 A P + 0 0 44 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 -0.233 35.2 179.6 -57.2 148.5 -13.7 -11.1 17.9 267 282 A A + 0 0 74 -4,-0.1 6,-0.1 9,-0.0 -4,-0.0 0.095 44.5 112.3-145.9 29.4 -16.9 -13.0 17.1 268 283 A D S S+ 0 0 131 2,-0.0 2,-0.3 1,-0.0 3,-0.1 0.546 82.9 19.5 -82.2 -6.8 -19.3 -12.2 20.0 269 284 A S S > S- 0 0 44 1,-0.1 4,-1.6 -3,-0.0 5,-0.1 -0.965 76.2-106.9-155.8 165.6 -21.7 -10.2 17.7 270 285 A E H > S+ 0 0 162 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.845 119.1 59.3 -63.0 -35.2 -22.9 -9.5 14.2 271 286 A H H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 106.8 44.4 -61.0 -44.6 -21.1 -6.2 14.5 272 287 A N H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.815 109.6 55.9 -74.4 -26.8 -17.8 -7.9 15.0 273 288 A K H X S+ 0 0 110 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.937 110.3 46.5 -66.0 -45.4 -18.4 -10.4 12.2 274 289 A L H X S+ 0 0 90 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 111.8 51.2 -59.8 -44.3 -18.9 -7.5 9.9 275 290 A K H X S+ 0 0 22 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.851 106.3 53.5 -69.4 -32.7 -15.8 -5.8 11.2 276 291 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.931 111.4 47.1 -62.7 -43.7 -13.7 -8.9 10.6 277 292 A S H X S+ 0 0 64 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.897 113.4 48.1 -64.0 -41.1 -14.9 -8.9 7.1 278 293 A Q H X S+ 0 0 31 -4,-2.4 4,-2.5 2,-0.2 27,-0.2 0.908 111.8 49.2 -66.3 -43.8 -14.2 -5.2 6.7 279 294 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.934 112.6 47.8 -60.8 -45.4 -10.7 -5.5 8.2 280 295 A R H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 110.3 53.0 -63.0 -40.2 -9.9 -8.4 5.9 281 296 A D H X S+ 0 0 59 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.933 110.2 46.6 -61.2 -47.1 -11.2 -6.5 2.9 282 297 A L H >X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 3,-1.3 0.938 111.2 52.0 -61.8 -44.8 -9.0 -3.5 3.7 283 298 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 3,-0.3 0.898 105.0 56.4 -57.0 -40.9 -5.9 -5.8 4.2 284 299 A S H 3< S+ 0 0 40 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.676 111.1 44.6 -66.1 -16.0 -6.6 -7.4 0.8 285 300 A K H << S+ 0 0 81 -3,-1.3 10,-2.3 -4,-0.7 -1,-0.2 0.658 118.0 40.9-100.3 -21.7 -6.4 -3.9 -0.8 286 301 A M H < S+ 0 0 1 -4,-1.6 2,-1.8 -3,-0.3 -2,-0.2 0.850 105.3 62.8 -92.3 -41.8 -3.3 -2.7 1.1 287 302 A L S < S+ 0 0 5 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.488 73.5 132.1 -86.9 67.0 -1.2 -5.9 0.9 288 303 A V - 0 0 31 -2,-1.8 6,-0.1 -3,-0.2 5,-0.1 -0.985 49.8-151.5-123.5 120.1 -1.0 -5.9 -2.9 289 304 A I S S+ 0 0 14 -2,-0.5 2,-0.8 1,-0.1 -109,-0.2 0.917 83.1 66.7 -63.1 -47.3 2.4 -6.4 -4.4 290 305 A D S > S- 0 0 15 1,-0.2 3,-2.3 -111,-0.1 4,-0.3 -0.685 73.4-154.5 -80.7 110.4 1.8 -4.4 -7.6 291 306 A A G > S+ 0 0 18 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.721 89.6 69.6 -59.4 -23.4 1.4 -0.8 -6.5 292 307 A S G 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.698 108.0 37.5 -68.4 -17.5 -0.7 -0.1 -9.6 293 308 A K G < S+ 0 0 144 -3,-2.3 2,-0.3 2,-0.1 -1,-0.2 0.308 96.6 104.4-111.2 5.3 -3.5 -2.3 -8.0 294 309 A R S < S- 0 0 10 -3,-0.9 -8,-0.2 -4,-0.3 -104,-0.1 -0.688 77.4-102.1 -92.6 142.2 -3.0 -1.2 -4.4 295 310 A I - 0 0 15 -10,-2.3 2,-0.2 -2,-0.3 -102,-0.1 -0.152 34.3-123.6 -59.1 150.1 -5.4 1.2 -2.6 296 311 A S > - 0 0 40 1,-0.1 4,-2.4 -103,-0.1 5,-0.2 -0.469 23.6-107.7 -85.4 167.1 -4.4 4.8 -2.1 297 312 A V H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 121.0 50.6 -60.4 -43.6 -4.3 6.7 1.1 298 313 A D H > S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.923 111.2 48.4 -65.5 -40.4 -7.4 8.6 0.3 299 314 A E H > S+ 0 0 110 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.892 109.5 52.6 -64.3 -38.5 -9.3 5.4 -0.6 300 315 A A H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 6,-0.4 0.900 105.9 53.6 -64.9 -38.8 -8.1 3.8 2.6 301 316 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.758 111.2 47.5 -66.8 -24.9 -9.5 6.8 4.7 302 317 A Q H 3< S+ 0 0 108 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.495 85.6 112.6 -91.0 -6.1 -12.8 6.3 2.9 303 318 A H S XX S- 0 0 10 -3,-0.9 4,-3.1 -4,-0.7 3,-1.3 -0.413 78.8-120.2 -66.8 141.6 -12.9 2.5 3.6 304 319 A P H 3> S+ 0 0 67 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.784 110.1 59.7 -59.1 -25.3 -15.6 1.6 6.0 305 320 A Y H 34 S+ 0 0 1 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.860 121.4 24.2 -65.8 -36.9 -13.2 0.1 8.5 306 321 A I H X4 S+ 0 0 0 -3,-1.3 3,-2.0 -6,-0.4 -1,-0.2 0.765 106.3 76.9 -95.3 -33.4 -11.3 3.4 8.9 307 322 A N H >< S+ 0 0 55 -4,-3.1 3,-1.9 1,-0.3 -2,-0.1 0.648 72.2 80.4 -70.4 -14.9 -14.0 6.0 7.9 308 323 A V T 3< S+ 0 0 91 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.775 100.1 43.4 -57.4 -25.9 -15.9 5.9 11.1 309 324 A W T < S+ 0 0 41 -3,-2.0 -1,-0.3 -8,-0.1 -2,-0.2 0.408 85.3 137.4 -95.0 -1.3 -13.2 8.2 12.5 310 325 A Y < + 0 0 52 -3,-1.9 3,-0.0 -9,-0.2 -3,-0.0 -0.260 17.8 162.4 -66.2 128.6 -13.0 10.5 9.5 311 326 A D >> - 0 0 61 -2,-0.1 4,-2.6 1,-0.1 3,-2.0 -0.956 31.5-148.2-141.4 117.7 -12.7 14.2 10.1 312 327 A P H 3> S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.744 96.4 67.2 -64.1 -20.9 -11.4 16.5 7.3 313 328 A S H 34 S+ 0 0 96 2,-0.2 -3,-0.0 1,-0.2 0, 0.0 0.740 115.0 30.8 -66.3 -23.0 -9.8 18.9 9.8 314 329 A E H X4 S+ 0 0 9 -3,-2.0 3,-0.7 2,-0.1 -1,-0.2 0.807 127.7 37.5 -96.9 -49.1 -7.5 16.1 10.6 315 330 A A H 3< S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -14,-0.0 0.822 126.1 36.4 -79.1 -30.0 -7.2 14.2 7.3 316 331 A E T 3< S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 -0.136 76.0 150.7-115.5 30.9 -7.3 17.2 5.0 317 332 A A < - 0 0 23 -3,-0.7 -4,-0.1 1,-0.1 -3,-0.1 -0.496 57.8-102.2 -62.1 129.2 -5.3 19.7 7.1 318 333 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -173,-0.1 -0.184 44.6-102.2 -56.1 147.4 -3.6 22.0 4.6 319 334 A P - 0 0 67 0, 0.0 -177,-0.1 0, 0.0 -174,-0.1 -0.105 37.8 -92.5 -71.7 165.7 0.1 21.3 4.1 320 335 A P - 0 0 22 0, 0.0 2,-0.8 0, 0.0 -240,-0.1 -0.244 32.1-113.6 -68.8 160.4 3.0 23.1 5.6 321 336 A K - 0 0 189 -242,-0.3 -176,-0.0 0, 0.0 0, 0.0 -0.882 34.8-154.4 -90.1 110.4 4.8 26.0 3.9 322 337 A I - 0 0 50 -2,-0.8 3,-0.1 1,-0.1 2,-0.1 -0.763 22.0-111.4 -86.6 134.2 8.3 24.5 3.2 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348 A T > - 0 0 76 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.322 43.6-107.2 -66.6 162.0 30.0 18.0 -0.5 334 349 A I H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 122.4 52.1 -62.9 -39.8 30.1 16.5 2.9 335 350 A E H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 110.4 49.2 -60.1 -41.6 31.8 19.6 4.3 336 351 A E H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.903 109.4 52.0 -63.2 -39.9 29.0 21.7 2.8 337 352 A W H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.911 108.0 51.5 -63.1 -42.0 26.4 19.4 4.3 338 353 A K H X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.929 111.2 48.0 -59.0 -44.0 28.0 19.8 7.7 339 354 A E H X S+ 0 0 88 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.899 111.7 50.1 -62.0 -43.2 27.9 23.6 7.3 340 355 A L H X S+ 0 0 48 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.918 113.6 44.7 -64.0 -45.4 24.2 23.4 6.2 341 356 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 112.8 50.9 -65.6 -42.9 23.2 21.3 9.2 342 357 A Y H X S+ 0 0 31 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.922 111.0 48.8 -59.9 -45.7 25.2 23.4 11.7 343 358 A K H X S+ 0 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