==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUN-09 3HRB . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.SEGARRA,W.LUMERAS,B.VIDAL,P.LEONARD,M.FISHER,M.LAMERS . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 64.2 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 . 40 11.6 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 . 2 0.6 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 . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 0 0 1 0 1 1 0 0 2 0 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 . 1 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 4 A E 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.9 26.0 42.0 38.4 2 5 A R - 0 0 98 1,-0.0 3,-0.0 3,-0.0 85,-0.0 -0.833 360.0-132.4 -77.3 120.5 24.3 39.2 40.3 3 6 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.209 19.0 -97.9 -72.0 168.6 21.1 41.0 41.4 4 7 A T - 0 0 85 2,-0.0 15,-2.2 0, 0.0 2,-0.3 -0.765 39.3-154.2 -91.0 128.6 19.7 40.9 44.9 5 8 A F E -A 18 0A 27 -2,-0.5 2,-0.3 13,-0.3 11,-0.0 -0.710 3.8-155.8-101.4 152.5 17.0 38.3 45.4 6 9 A Y E -A 17 0A 60 11,-2.6 11,-1.7 -2,-0.3 2,-0.2 -0.962 14.6-125.0-128.2 150.9 14.2 38.4 48.0 7 10 A R E +A 16 0A 161 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.625 31.2 161.9 -98.0 152.0 12.2 35.5 49.5 8 11 A Q E -A 15 0A 57 7,-1.6 7,-3.6 -2,-0.2 2,-0.6 -0.948 34.5-123.4-168.0 137.3 8.5 35.1 49.6 9 12 A E E +A 14 0A 151 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.821 43.1 149.3 -91.4 118.0 5.9 32.2 50.2 10 13 A L E > +A 13 0A 22 3,-3.4 3,-1.1 -2,-0.6 20,-0.1 -0.989 62.3 12.2-143.4 146.1 3.4 31.8 47.4 11 14 A N T 3 S- 0 0 67 -2,-0.3 -1,-0.1 1,-0.3 19,-0.1 0.962 132.3 -57.4 52.3 54.6 1.6 28.6 46.1 12 15 A K T 3 S+ 0 0 104 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.699 123.1 95.4 52.4 23.5 2.6 26.6 49.2 13 16 A T E < S-A 10 0A 35 -3,-1.1 -3,-3.4 -5,-0.0 2,-0.8 -0.974 80.0-107.1-148.6 157.4 6.3 27.5 48.2 14 17 A I E -A 9 0A 71 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.3 -0.751 31.5-165.2 -87.6 106.6 9.3 29.8 48.7 15 18 A W E -A 8 0A 0 -7,-3.6 -7,-1.6 -2,-0.8 2,-0.5 -0.823 3.7-171.6 -88.7 128.4 9.8 32.0 45.7 16 19 A E E +A 7 0A 56 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.936 21.2 157.5-123.6 103.8 13.2 33.7 45.6 17 20 A V E -A 6 0A 1 -11,-1.7 -11,-2.6 -2,-0.5 -2,-0.0 -0.862 46.0 -85.0-127.4 156.5 13.3 36.3 42.8 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.9 0, 0.0 -13,-0.3 -0.290 41.7-115.2 -55.5 148.4 15.3 39.4 41.9 19 22 A E T 3 S+ 0 0 108 -15,-2.2 18,-0.1 1,-0.3 -14,-0.1 0.702 108.7 78.1 -59.3 -25.9 14.0 42.7 43.5 20 23 A R T 3 S+ 0 0 55 -16,-0.2 17,-2.9 16,-0.1 2,-0.6 0.840 84.1 74.3 -53.1 -29.9 13.2 44.0 40.0 21 24 A Y E < +B 36 0B 1 -3,-1.9 2,-0.3 15,-0.2 15,-0.2 -0.759 69.4 172.7 -93.2 118.4 10.1 41.8 40.2 22 25 A Q E +B 35 0B 70 13,-2.6 13,-2.7 -2,-0.6 -2,-0.0 -0.786 45.9 27.3-125.2 161.2 7.4 43.2 42.6 23 26 A N E - 0 0 113 -2,-0.3 -1,-0.2 11,-0.2 2,-0.1 0.889 69.8-168.1 58.4 47.3 3.9 42.5 43.6 24 27 A L E + 0 0 12 -3,-0.2 10,-0.2 10,-0.1 -1,-0.2 -0.438 11.0 172.7 -63.3 136.8 3.9 38.8 42.9 25 28 A S E -B 33 0B 55 8,-1.8 8,-2.6 -2,-0.1 -15,-0.1 -0.937 36.1-102.1-150.4 132.0 0.4 37.2 43.0 26 29 A P E B 32 0B 65 0, 0.0 6,-0.2 0, 0.0 4,-0.0 -0.109 360.0 360.0 -55.7 144.8 -0.7 33.6 42.1 27 30 A V 0 0 118 4,-2.6 5,-0.2 0, 0.0 17,-0.0 0.357 360.0 360.0-156.2 360.0 -2.3 33.2 38.7 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 36 A G 0 0 64 0, 0.0 19,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.3 5.0 24.9 37.6 30 37 A S E - C 0 47B 32 17,-1.0 17,-2.4 -19,-0.1 2,-0.4 -0.549 360.0-145.0 -80.7 152.3 3.1 27.6 39.5 31 38 A V E - C 0 46B 43 15,-0.2 -4,-2.6 -2,-0.2 2,-0.4 -0.971 12.8-169.2-126.2 133.6 2.7 31.0 37.8 32 39 A C E -BC 26 45B 0 13,-2.7 13,-3.0 -2,-0.4 2,-0.2 -0.968 19.9-133.2-120.0 138.0 2.7 34.5 39.4 33 40 A A E +BC 25 44B 4 -8,-2.6 -8,-1.8 -2,-0.4 2,-0.3 -0.611 39.2 167.5 -74.2 146.9 1.8 37.8 37.8 34 41 A A E - C 0 43B 0 9,-2.1 9,-2.8 -2,-0.2 2,-0.5 -0.969 37.7-115.2-153.7 166.9 4.3 40.4 38.7 35 42 A F E -BC 22 42B 69 -13,-2.7 -13,-2.6 -2,-0.3 2,-0.9 -0.961 23.0-145.0-108.2 123.7 5.4 43.9 37.7 36 43 A D E >> -BC 21 41B 0 5,-2.7 4,-2.4 -2,-0.5 5,-0.5 -0.780 10.5-168.1 -87.7 104.0 8.9 44.1 36.2 37 44 A T T 45S+ 0 0 77 -17,-2.9 -1,-0.1 -2,-0.9 -16,-0.1 0.714 83.5 56.6 -68.7 -19.3 10.3 47.5 37.5 38 45 A K T 45S+ 0 0 163 -18,-0.2 -1,-0.2 1,-0.1 -17,-0.0 0.906 122.0 23.2 -78.5 -38.5 13.2 47.4 35.0 39 46 A T T 45S- 0 0 69 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.617 95.7-127.2-103.1 -16.3 11.1 47.1 31.8 40 47 A G T <5 + 0 0 48 -4,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.528 66.2 131.9 77.3 8.0 7.8 48.6 33.0 41 48 A L E < -C 36 0B 62 -5,-0.5 -5,-2.7 1,-0.0 2,-0.5 -0.602 64.7-121.1 -95.8 150.3 6.0 45.5 31.8 42 49 A R E -C 35 0B 112 -2,-0.2 59,-2.5 -7,-0.2 2,-0.3 -0.800 46.0-169.3 -78.2 127.8 3.4 43.2 33.5 43 50 A V E -CD 34 100B 0 -9,-2.8 -9,-2.1 -2,-0.5 2,-0.5 -0.879 26.3-135.1-125.7 154.6 5.1 39.8 33.4 44 51 A A E -CD 33 99B 16 55,-2.9 55,-2.4 -2,-0.3 2,-0.5 -0.955 21.4-162.4-105.2 127.3 4.2 36.2 34.1 45 52 A V E -CD 32 98B 1 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.5 -0.956 2.0-164.3-113.4 120.6 6.8 34.3 36.2 46 53 A K E -CD 31 97B 46 51,-2.9 51,-2.5 -2,-0.5 2,-0.6 -0.910 5.1-158.0-106.3 124.6 6.8 30.5 36.2 47 54 A K E -CD 30 96B 19 -17,-2.4 -17,-1.0 -2,-0.5 49,-0.2 -0.916 20.6-133.8 -99.1 117.8 8.6 28.5 38.8 48 55 A L - 0 0 15 47,-2.1 2,-0.6 -2,-0.6 47,-0.3 -0.492 14.8-131.5 -71.7 136.2 9.4 25.0 37.6 49 56 A S S S- 0 0 81 1,-0.2 -1,-0.1 -2,-0.2 45,-0.0 -0.829 77.5 -22.9 -87.9 120.1 8.6 22.2 40.1 50 57 A R S > S+ 0 0 43 -2,-0.6 3,-1.1 1,-0.1 -1,-0.2 0.928 72.9 179.4 52.7 58.3 11.4 19.7 40.6 51 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.5 0, 0.0 11,-0.2 0.747 77.8 34.9 -67.2 -21.3 13.0 20.4 37.2 52 59 A F T 3 S+ 0 0 26 41,-0.3 -2,-0.1 1,-0.1 279,-0.1 -0.065 77.6 114.5-125.2 31.3 15.8 17.8 37.8 53 60 A Q S < S+ 0 0 131 -3,-1.1 2,-0.3 1,-0.0 -1,-0.1 0.727 86.8 8.2 -78.0 -23.7 14.1 15.0 39.8 54 61 A S S > S- 0 0 34 -4,-0.2 4,-2.3 -3,-0.2 5,-0.2 -0.915 80.5-101.2-142.0 173.3 14.5 12.4 37.0 55 62 A I H > S+ 0 0 79 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.899 122.6 51.8 -58.4 -39.0 16.2 12.0 33.6 56 63 A I H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 112.8 41.6 -71.3 -40.3 12.8 12.7 32.0 57 64 A H H > S+ 0 0 62 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.901 111.6 55.9 -72.5 -43.1 12.1 15.9 33.9 58 65 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.886 111.5 44.4 -55.3 -42.6 15.7 17.1 33.5 59 66 A K H X S+ 0 0 34 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.880 112.9 52.0 -69.5 -39.3 15.4 16.7 29.7 60 67 A R H X S+ 0 0 94 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.907 109.2 49.3 -61.6 -45.7 11.9 18.4 29.8 61 68 A T H X S+ 0 0 9 -4,-3.3 4,-2.5 -10,-0.5 -1,-0.2 0.932 114.2 45.9 -58.4 -47.2 13.3 21.4 31.7 62 69 A Y H X S+ 0 0 14 -4,-1.9 4,-3.2 -5,-0.2 5,-0.2 0.940 113.5 49.6 -60.0 -50.2 16.1 21.7 29.2 63 70 A R H X S+ 0 0 36 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.935 110.8 49.0 -55.3 -50.4 13.6 21.3 26.3 64 71 A E H X S+ 0 0 26 -4,-3.4 4,-3.1 1,-0.2 5,-0.2 0.946 114.6 45.3 -58.5 -45.4 11.3 24.0 27.7 65 72 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.929 112.8 49.1 -65.1 -46.5 14.2 26.4 28.2 66 73 A R H X S+ 0 0 38 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.942 114.8 46.9 -58.2 -48.1 15.7 25.8 24.8 67 74 A L H X S+ 0 0 5 -4,-2.8 4,-1.2 -5,-0.2 3,-0.4 0.951 114.9 44.1 -56.3 -54.9 12.3 26.2 23.2 68 75 A L H < S+ 0 0 19 -4,-3.1 11,-0.9 1,-0.2 -2,-0.2 0.870 111.7 54.2 -64.0 -35.8 11.5 29.4 25.1 69 76 A K H < S+ 0 0 39 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 107.4 53.3 -63.8 -30.9 15.0 30.8 24.5 70 77 A H H < S+ 0 0 37 -4,-1.6 2,-0.6 -3,-0.4 244,-0.2 0.840 87.5 89.6 -72.6 -34.1 14.5 30.3 20.8 71 78 A M < + 0 0 5 -4,-1.2 2,-0.4 -3,-0.2 8,-0.3 -0.562 36.8 160.9 -84.5 113.5 11.2 32.2 20.2 72 79 A K + 0 0 172 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.788 35.6 115.1-126.1 85.7 11.4 35.8 19.4 73 80 A H B > -F 76 0C 20 3,-0.5 3,-1.6 -2,-0.4 5,-0.1 -0.985 68.4-125.1-155.5 140.9 8.1 36.6 17.8 74 81 A E T 3 S+ 0 0 120 -2,-0.3 56,-0.1 1,-0.3 4,-0.1 0.719 112.2 45.3 -59.1 -26.2 5.1 38.8 18.7 75 82 A N T 3 S+ 0 0 7 83,-0.1 84,-2.0 54,-0.1 2,-0.4 0.150 104.4 70.8-108.6 17.1 2.7 35.9 18.5 76 83 A V B < S-Fg 73 159C 2 -3,-1.6 -3,-0.5 82,-0.3 2,-0.4 -1.000 86.5-115.4-134.1 131.3 4.8 33.3 20.4 77 84 A I + 0 0 10 82,-2.5 2,-0.2 -2,-0.4 -6,-0.2 -0.545 47.9 167.0 -65.7 122.5 5.4 33.4 24.1 78 85 A G - 0 0 12 -2,-0.4 2,-0.6 -5,-0.1 22,-0.3 -0.629 36.6 -78.0-123.7-171.4 9.2 33.9 24.6 79 86 A L + 0 0 16 -11,-0.9 20,-0.2 -8,-0.3 3,-0.1 -0.809 29.5 171.8 -98.9 120.6 11.5 34.8 27.5 80 87 A L S S- 0 0 20 18,-2.5 2,-0.3 -2,-0.6 19,-0.2 0.783 83.1 -7.9 -80.5 -31.5 12.0 38.3 28.8 81 88 A D E -E 98 0B 22 17,-1.3 17,-3.0 262,-0.1 -1,-0.3 -0.993 53.0-168.0-159.2 151.1 14.1 36.7 31.6 82 89 A V E +E 97 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.943 25.5 163.2-142.0 133.2 15.2 33.4 33.1 83 90 A F E -E 96 0B 13 13,-1.9 13,-2.2 -2,-0.3 256,-0.1 -0.934 25.2-160.1-143.8 166.9 17.0 33.2 36.5 84 91 A T - 0 0 13 -2,-0.3 11,-0.1 2,-0.2 -67,-0.1 -0.977 26.1-133.8-141.1 143.6 18.0 31.0 39.4 85 92 A P S S+ 0 0 21 0, 0.0 -80,-0.1 0, 0.0 10,-0.1 0.558 75.0 113.6 -69.1 -8.7 19.0 32.1 43.0 86 93 A A - 0 0 15 8,-0.3 -2,-0.2 1,-0.1 3,-0.1 -0.348 53.8-161.8 -68.0 145.9 21.9 29.7 42.6 87 94 A R S S+ 0 0 169 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.568 75.8 16.2-100.9 -17.6 25.5 31.0 42.6 88 95 A S S >> S- 0 0 38 1,-0.1 4,-1.0 0, 0.0 3,-0.9 -0.974 80.1-104.7-150.3 164.1 27.0 27.9 41.1 89 96 A L T 34 S+ 0 0 50 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.850 115.2 61.0 -54.2 -39.9 26.1 24.6 39.2 90 97 A E T 34 S+ 0 0 159 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.778 114.7 33.2 -67.8 -28.0 26.6 22.5 42.4 91 98 A E T <4 S+ 0 0 99 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.454 90.1 124.2-101.7 -1.9 23.9 24.5 44.2 92 99 A F < + 0 0 1 -4,-1.0 3,-0.1 -3,-0.4 243,-0.1 -0.376 20.5 133.7 -62.2 127.9 21.7 25.0 41.1 93 100 A N + 0 0 97 1,-0.3 2,-0.4 -2,-0.1 -41,-0.3 0.533 48.7 57.7-149.5 -36.7 18.2 23.7 41.7 94 101 A D - 0 0 41 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.907 52.6-163.0-118.4 141.9 15.4 26.0 40.7 95 102 A V - 0 0 0 -2,-0.4 -47,-2.1 -47,-0.3 2,-0.4 -0.979 4.0-169.1-119.7 133.9 14.6 27.6 37.4 96 103 A Y E -DE 47 83B 1 -13,-2.2 -13,-1.9 -2,-0.4 2,-0.4 -0.989 6.3-160.8-122.3 132.4 12.3 30.6 36.9 97 104 A L E -DE 46 82B 8 -51,-2.5 -51,-2.9 -2,-0.4 2,-0.4 -0.922 4.1-158.9-116.6 138.4 11.0 31.7 33.5 98 105 A V E +DE 45 81B 0 -17,-3.0 -18,-2.5 -2,-0.4 -17,-1.3 -0.953 20.1 150.9-123.2 132.4 9.6 35.1 32.7 99 106 A T E -D 44 0B 21 -55,-2.4 -55,-2.9 -2,-0.4 -20,-0.1 -0.863 52.1 -61.1-142.3-178.9 7.4 36.3 29.9 100 107 A H E -D 43 0B 65 -22,-0.3 2,-0.6 -2,-0.3 -57,-0.3 -0.400 50.5-121.4 -65.3 140.0 4.8 38.9 29.1 101 108 A L + 0 0 45 -59,-2.5 -59,-0.2 1,-0.2 -1,-0.1 -0.757 38.2 166.3 -81.1 119.8 1.6 38.7 31.2 102 109 A M - 0 0 25 -2,-0.6 51,-0.2 50,-0.1 -1,-0.2 0.739 27.0-155.9-100.6 -39.7 -1.3 38.2 28.9 103 110 A G + 0 0 64 49,-0.1 2,-0.3 1,-0.1 49,-0.1 0.213 59.3 46.2 94.3 -16.2 -3.7 37.2 31.7 104 111 A A E -H 151 0C 32 47,-0.6 47,-2.0 3,-0.0 2,-0.2 -0.936 67.0-134.0-144.5 167.1 -6.4 35.2 29.9 105 112 A D E -H 150 0C 34 -2,-0.3 45,-0.2 45,-0.2 42,-0.2 -0.688 42.9 -90.1-114.7 177.9 -6.6 32.4 27.3 106 113 A L S > S+ 0 0 2 40,-1.7 4,-1.1 43,-1.4 3,-0.3 0.829 125.8 53.1 -61.9 -31.9 -8.8 32.1 24.3 107 114 A N H >> S+ 0 0 56 39,-0.3 2,-4.7 1,-0.2 3,-1.1 0.959 93.9 68.5 -60.9 -52.3 -11.6 30.4 26.3 108 115 A N H 34 S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.066 117.3 26.4 -62.5 48.4 -11.7 33.1 28.9 109 116 A I H 34 S+ 0 0 74 -2,-4.7 -1,-0.3 -3,-0.3 -2,-0.2 0.238 131.6 25.7-177.5 -38.6 -13.1 35.3 26.1 110 117 A V H X< + 0 0 6 -4,-1.1 3,-1.2 -3,-1.1 -3,-0.2 0.722 66.5 127.9-127.8 -35.4 -14.9 33.0 23.5 111 118 A K T 3< S+ 0 0 52 -4,-1.0 102,-0.1 1,-0.3 3,-0.1 -0.011 93.0 6.4 -42.4 131.7 -16.3 29.6 24.7 112 119 A C T 3 S+ 0 0 87 100,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.819 110.0 117.0 56.2 36.0 -20.0 29.3 23.7 113 120 A Q < - 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0 0 38 -2,-0.4 -9,-0.1 1,-0.1 -33,-0.0 -0.361 30.3-146.6 -54.6 133.5 -16.8 22.8 19.4 215 222 A L S S+ 0 0 33 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.916 88.9 18.4 -74.4 -46.6 -16.3 21.3 15.9 216 223 A F + 0 0 4 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.666 69.7 172.5-127.1 73.7 -15.5 17.7 16.8 217 224 A P - 0 0 38 0, 0.0 -40,-0.1 0, 0.0 -37,-0.0 -0.397 19.8-176.7 -82.2 62.1 -16.7 17.2 20.4 218 225 A G - 0 0 0 -2,-1.9 -42,-0.4 1,-0.1 -39,-0.1 -0.282 30.8-146.2 -64.7 144.8 -16.0 13.5 20.5 219 226 A T S S- 0 0 71 -44,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.540 85.5 -8.2 -86.1 -10.8 -17.0 11.4 23.6 220 227 A D S > S- 0 0 67 -47,-0.1 4,-2.5 -45,-0.1 5,-0.2 -0.921 90.3 -80.8-168.5 178.0 -13.9 9.1 22.9 221 228 A H H > S+ 0 0 59 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.888 127.6 44.3 -59.5 -40.3 -11.3 8.7 20.2 222 229 A I H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 112.4 50.0 -76.1 -43.8 -13.6 6.6 18.0 223 230 A D H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 112.7 49.8 -57.4 -41.5 -16.6 8.8 18.4 224 231 A Q H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.889 107.6 52.4 -67.4 -42.1 -14.4 11.8 17.5 225 232 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.898 108.6 52.2 -55.3 -42.5 -13.0 10.0 14.4 226 233 A K H X S+ 0 0 109 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 108.2 49.8 -65.2 -40.4 -16.5 9.4 13.3 227 234 A L H X S+ 0 0 62 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.887 113.5 47.4 -62.0 -39.3 -17.4 13.1 13.7 228 235 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.931 112.1 46.8 -67.2 -49.8 -14.3 14.0 11.7 229 236 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.832 106.8 59.4 -66.8 -29.8 -14.9 11.6 8.8 230 237 A R H < S+ 0 0 148 -4,-1.9 31,-0.2 -5,-0.3 -1,-0.2 0.905 114.0 36.8 -62.6 -43.0 -18.5 12.6 8.5 231 238 A L H < S+ 0 0 10 -4,-1.3 30,-2.4 -3,-0.2 -2,-0.2 0.931 131.3 27.1 -73.0 -48.3 -17.4 16.2 7.8 232 239 A V H < S- 0 0 18 -4,-2.7 28,-0.3 28,-0.2 52,-0.3 0.485 109.7-111.5-102.1 -2.1 -14.3 15.5 5.7 233 240 A G < - 0 0 3 -4,-2.2 -1,-0.2 26,-0.4 -2,-0.1 -0.023 37.8 -68.7 90.4 157.9 -15.1 12.2 4.1 234 241 A T - 0 0 24 24,-2.1 26,-0.1 1,-0.1 50,-0.1 -0.509 68.4 -79.1 -77.6 153.7 -13.5 8.7 4.6 235 242 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.247 42.7-138.9 -55.4 136.0 -9.9 8.2 3.4 236 243 A G > - 0 0 45 -3,-0.1 4,-1.7 1,-0.0 -3,-0.0 -0.204 36.3 -89.5 -79.6-175.8 -9.4 7.6 -0.3 237 244 A A H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.0 0.881 122.4 56.9 -67.6 -38.4 -6.9 5.0 -1.6 238 245 A E H > S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.917 109.4 44.7 -62.5 -43.5 -3.9 7.3 -1.7 239 246 A L H > S+ 0 0 12 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.892 105.3 62.2 -68.2 -41.0 -4.1 8.3 1.9 240 247 A L H >< S+ 0 0 31 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.908 100.0 54.3 -50.4 -48.2 -4.7 4.7 3.1 241 248 A K H 3< S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.910 103.4 56.8 -51.1 -45.5 -1.3 3.6 1.8 242 249 A K H 3< S+ 0 0 58 -4,-1.0 2,-1.5 -3,-0.3 -1,-0.3 0.660 80.0 95.7 -67.5 -19.5 0.4 6.4 3.8 243 250 A I << - 0 0 0 -3,-1.3 -52,-0.2 -4,-0.9 6,-0.1 -0.637 56.3-175.3 -72.3 95.3 -1.1 5.0 7.0 244 251 A S + 0 0 82 -2,-1.5 2,-1.1 -54,-0.5 -1,-0.2 0.584 59.8 93.3 -69.2 -9.9 2.0 3.0 8.0 245 252 A S > - 0 0 46 -55,-1.1 4,-3.0 1,-0.2 5,-0.3 -0.725 60.8-166.6 -89.8 94.7 0.0 1.6 10.9 246 253 A E H > S+ 0 0 132 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.816 88.2 53.4 -52.1 -35.4 -1.5 -1.7 9.6 247 254 A S H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.970 112.4 42.9 -65.4 -51.0 -3.8 -1.9 12.6 248 255 A A H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.937 114.6 50.9 -55.2 -51.8 -5.2 1.7 12.0 249 256 A R H X S+ 0 0 67 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.910 108.4 52.8 -53.6 -46.9 -5.4 1.1 8.2 250 257 A N H < S+ 0 0 95 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.849 109.7 47.7 -59.9 -38.3 -7.3 -2.1 8.8 251 258 A Y H >< S+ 0 0 76 -4,-1.7 3,-1.5 -3,-0.3 4,-0.4 0.923 108.9 53.0 -69.5 -45.0 -9.9 -0.3 11.0 252 259 A I H >< S+ 0 0 8 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.881 103.6 57.7 -58.3 -40.0 -10.5 2.6 8.6 253 260 A Q T 3< S+ 0 0 120 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.587 97.2 63.7 -67.7 -14.3 -11.2 0.1 5.8 254 261 A S T < S+ 0 0 80 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.639 86.2 96.9 -76.9 -16.5 -14.0 -1.4 7.9 255 262 A L S < S- 0 0 35 -3,-1.6 2,-0.2 -4,-0.4 3,-0.1 -0.511 86.0-106.5 -83.4 140.5 -15.9 2.0 7.8 256 263 A T - 0 0 122 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.450 46.3-107.6 -54.6 127.2 -18.7 2.7 5.3 257 264 A Q - 0 0 163 -2,-0.2 -1,-0.1 -4,-0.1 -21,-0.0 -0.377 41.8-172.3 -63.1 135.4 -17.3 5.1 2.8 258 265 A M - 0 0 40 -29,-0.1 -24,-2.1 -2,-0.1 2,-0.1 -0.990 18.4-125.7-131.5 139.0 -18.6 8.7 3.2 259 266 A P - 0 0 108 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.485 38.0 -91.7 -79.6 156.0 -18.2 11.7 0.9 260 267 A K - 0 0 98 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.474 48.3-122.3 -60.2 133.3 -16.8 15.1 2.1 261 268 A M - 0 0 76 -30,-2.4 2,-0.6 -31,-0.2 -1,-0.1 -0.272 27.4 -95.3 -74.0 164.0 -19.8 17.3 3.2 262 269 A N >> - 0 0 86 1,-0.2 3,-0.8 -2,-0.1 4,-0.7 -0.740 28.9-155.9 -83.5 118.8 -20.5 20.7 1.8 263 270 A F H >> S+ 0 0 2 -2,-0.6 4,-2.9 1,-0.2 3,-0.7 0.851 90.7 63.3 -68.7 -29.2 -18.8 23.3 4.1 264 271 A A H 34 S+ 0 0 57 1,-0.3 5,-0.3 2,-0.2 -1,-0.2 0.762 106.2 44.9 -65.6 -26.5 -21.2 26.0 2.9 265 272 A N H <4 S+ 0 0 121 -3,-0.8 3,-0.3 3,-0.1 -1,-0.3 0.570 114.6 48.8 -90.3 -12.4 -24.1 24.0 4.4 266 273 A V H << S+ 0 0 48 -4,-0.7 2,-1.1 -3,-0.7 -2,-0.2 0.891 115.9 39.9 -86.9 -51.1 -22.3 23.3 7.6 267 274 A F S >< S- 0 0 7 -4,-2.9 3,-1.8 3,-0.1 -1,-0.2 -0.512 89.6-165.1 -98.0 66.3 -21.1 26.8 8.4 268 275 A I T 3 + 0 0 136 -2,-1.1 -3,-0.1 -3,-0.3 -4,-0.1 -0.267 67.4 7.0 -61.2 129.1 -24.3 28.5 7.4 269 276 A G T 3 S+ 0 0 78 -5,-0.3 -1,-0.3 1,-0.3 -5,-0.1 0.240 93.9 134.9 89.9 -11.9 -24.0 32.3 6.9 270 277 A A S < S- 0 0 24 -3,-1.8 -1,-0.3 1,-0.1 5,-0.1 -0.347 70.7 -81.2 -73.8 152.6 -20.2 32.5 7.4 271 278 A N >> - 0 0 45 1,-0.2 4,-2.3 2,-0.1 3,-0.9 -0.281 38.0-133.3 -46.8 120.6 -17.9 34.5 5.1 272 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.722 108.5 55.8 -54.9 -27.4 -17.2 32.3 2.0 273 280 A L H 3> S+ 0 0 66 2,-0.2 4,-2.2 3,-0.2 27,-0.2 0.833 106.6 50.0 -72.6 -35.7 -13.5 33.1 2.3 274 281 A A H <> S+ 0 0 0 -3,-0.9 4,-3.1 2,-0.2 5,-0.2 0.960 113.3 46.2 -61.8 -50.4 -13.7 31.6 5.9 275 282 A V H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.942 112.3 50.0 -57.8 -50.6 -15.4 28.6 4.6 276 283 A D H X S+ 0 0 48 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.918 112.5 47.9 -52.1 -47.0 -12.9 28.2 1.7 277 284 A L H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.8 0.943 108.5 52.8 -65.9 -46.5 -10.0 28.5 4.2 278 285 A L H 3X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.888 105.7 56.9 -53.0 -37.1 -11.5 26.0 6.5 279 286 A E H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 109.1 44.6 -65.9 -31.4 -11.8 23.6 3.5 280 287 A K H << S+ 0 0 92 -4,-1.2 10,-2.4 -3,-0.8 3,-0.3 0.707 117.9 45.3 -83.4 -20.7 -8.0 24.0 2.9 281 288 A M H < S+ 0 0 0 -4,-1.8 2,-1.4 8,-0.2 -2,-0.2 0.887 106.8 56.3 -84.5 -44.9 -7.3 23.5 6.6 282 289 A L S < S+ 0 0 4 -4,-3.2 2,-0.5 -5,-0.2 -1,-0.2 -0.412 71.8 138.4 -95.4 62.8 -9.5 20.6 7.4 283 290 A V - 0 0 42 -2,-1.4 6,-0.1 -3,-0.3 -83,-0.1 -0.913 51.1-140.3-109.2 129.7 -8.2 18.1 4.9 284 291 A L S S+ 0 0 15 -2,-0.5 2,-0.6 -52,-0.3 -99,-0.2 0.893 87.3 71.4 -60.1 -45.2 -7.8 14.5 6.1 285 292 A D S > S- 0 0 11 1,-0.2 3,-1.4 -3,-0.1 4,-0.4 -0.619 72.5-154.4 -77.2 113.5 -4.5 13.9 4.2 286 293 A S G > S+ 0 0 7 -2,-0.6 3,-1.2 1,-0.3 -1,-0.2 0.826 89.8 65.5 -60.2 -34.4 -1.8 15.9 6.0 287 294 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.819 105.6 44.1 -53.4 -33.2 0.3 16.1 2.9 288 295 A K G < S+ 0 0 120 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.394 85.3 115.4-100.2 2.1 -2.4 18.2 1.2 289 296 A R S < S- 0 0 6 -3,-1.2 -8,-0.2 -4,-0.4 -9,-0.1 -0.455 75.3-102.8 -69.8 144.1 -3.3 20.6 4.0 290 297 A I - 0 0 18 -10,-2.4 2,-0.2 -13,-0.2 -1,-0.1 -0.339 39.5-130.4 -56.0 144.3 -2.6 24.3 3.5 291 298 A T > - 0 0 40 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.528 21.5-105.3 -93.1 170.3 0.5 25.5 5.4 292 299 A A H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -160,-0.2 0.902 120.9 49.8 -61.6 -45.5 0.8 28.5 7.7 293 300 A A H > S+ 0 0 46 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.944 113.5 45.4 -58.5 -49.6 2.7 30.5 5.1 294 301 A Q H >4 S+ 0 0 115 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.888 110.7 53.2 -64.6 -41.1 0.2 29.7 2.3 295 302 A A H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 6,-0.3 0.821 100.8 60.8 -63.6 -33.0 -2.8 30.5 4.5 296 303 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.5 51.7 -65.3 -27.1 -1.4 33.9 5.5 297 304 A A T << S+ 0 0 66 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.460 87.4 115.8 -86.1 -3.5 -1.5 34.8 1.8 298 305 A H S X S- 0 0 25 -3,-1.4 3,-2.2 -4,-0.2 7,-0.1 -0.445 78.6-116.5 -71.0 140.9 -5.2 33.7 1.5 299 306 A A G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.662 107.5 74.8 -50.6 -25.3 -7.8 36.4 0.7 300 307 A Y G 3 S+ 0 0 6 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.843 102.1 42.7 -57.3 -32.7 -9.6 35.9 4.1 301 308 A F G X> S+ 0 0 0 -3,-2.2 4,-3.4 -6,-0.3 3,-0.7 -0.004 74.2 120.3-103.2 26.5 -6.6 37.9 5.6 302 309 A A T <4 S+ 0 0 73 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.893 75.6 54.5 -61.0 -38.9 -6.3 40.6 3.0 303 310 A Q T 34 S+ 0 0 165 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.800 123.6 24.5 -60.6 -30.8 -7.0 43.3 5.7 304 311 A Y T <4 S+ 0 0 67 -3,-0.7 -2,-0.2 -8,-0.1 -1,-0.2 0.705 92.2 111.6-108.7 -28.1 -4.1 42.0 7.9 305 312 A H < + 0 0 60 -4,-3.4 5,-0.1 -7,-0.1 -8,-0.1 -0.235 30.4 163.1 -56.5 134.5 -1.7 40.3 5.6 306 313 A D > - 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