==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-10 3OC1 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.V.NAMBOODIRI,M.KARPUSAS,M.BUKHTIYAROVA,E.B.SPRINGMAN . 330 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 62.4 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 . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 28.8 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+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 0 1 0 0 1 0 1 1 0 1 1 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 . 2 1 2 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 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 5 A R 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.6 -24.2 -5.1 6.7 2 6 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.286 360.0-130.9 -34.4 160.2 -23.6 -5.1 10.6 3 7 A T - 0 0 80 2,-0.0 15,-1.6 13,-0.0 16,-0.2 -0.991 27.7-146.4-129.1 130.7 -26.0 -4.0 13.2 4 8 A F E -A 17 0A 28 -2,-0.4 2,-0.3 13,-0.2 11,-0.1 -0.320 14.8-159.9-103.2 173.6 -24.9 -1.6 16.0 5 9 A Y E -A 16 0A 46 11,-1.2 11,-1.1 -2,-0.1 2,-0.1 -0.952 18.4-135.1-153.9 135.1 -25.3 -0.7 19.6 6 10 A R - 0 0 166 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.368 21.9-178.0 -91.5 168.0 -24.5 2.6 21.4 7 11 A Q - 0 0 59 7,-0.2 7,-2.1 -2,-0.1 2,-0.9 -0.904 29.6-126.4-173.2 136.8 -22.7 3.1 24.8 8 12 A E B +B 13 0B 153 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.761 37.8 171.6 -92.9 101.7 -21.6 5.7 27.3 9 13 A L - 0 0 17 3,-2.5 -2,-0.0 -2,-0.9 15,-0.0 -0.915 61.6 -32.7-125.4 111.1 -17.9 5.2 28.0 10 14 A N S S- 0 0 105 -2,-0.5 2,-2.2 1,-0.3 -1,-0.2 0.966 118.4 -52.1 49.1 71.3 -15.7 7.6 30.0 11 15 A K S S+ 0 0 182 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 -0.546 125.2 99.7 64.2 -80.1 -17.4 10.8 28.9 12 16 A T S S- 0 0 52 -2,-2.2 -3,-2.5 -4,-0.1 2,-0.1 0.099 73.2-131.5 -30.5 125.9 -17.0 9.6 25.2 13 17 A I B -B 8 0B 80 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.467 23.5-157.5 -71.1 155.0 -20.0 7.9 23.5 14 18 A W + 0 0 5 -7,-2.1 2,-0.5 -2,-0.1 -7,-0.2 -0.887 17.9 178.8-145.5 118.5 -19.3 4.6 21.6 15 19 A E + 0 0 58 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.913 20.9 149.7-120.3 107.1 -21.1 2.8 18.8 16 20 A V E -A 5 0A 1 -11,-1.1 -11,-1.2 -2,-0.5 4,-0.1 -0.888 52.1 -85.2-127.5 153.2 -19.6 -0.4 17.5 17 21 A P E > -A 4 0A 9 0, 0.0 3,-1.6 0, 0.0 -13,-0.2 -0.149 42.2-109.7 -58.0 160.6 -21.2 -3.6 16.0 18 22 A E T 3 S+ 0 0 90 -15,-1.6 -14,-0.1 1,-0.3 19,-0.1 0.576 108.3 84.7 -78.3 -6.8 -22.5 -6.2 18.4 19 23 A R T 3 S+ 0 0 60 -16,-0.2 18,-2.5 1,-0.1 2,-0.6 0.604 85.5 71.6 -58.5 -12.7 -19.7 -8.6 17.4 20 24 A Y E < S+C 36 0C 0 -3,-1.6 2,-0.2 16,-0.2 3,-0.2 -0.923 70.1 173.3-120.2 114.5 -17.9 -6.6 19.9 21 25 A Q E +C 35 0C 69 14,-1.7 14,-2.7 -2,-0.6 -2,-0.0 -0.719 50.3 21.5-118.3 164.2 -18.8 -7.1 23.5 22 26 A N E - 0 0 138 -2,-0.2 2,-0.3 12,-0.2 -1,-0.2 0.884 69.5-167.5 45.5 57.1 -17.6 -6.0 26.9 23 27 A L E + 0 0 12 -3,-0.2 11,-0.2 11,-0.1 -1,-0.2 -0.569 10.4 175.5 -69.4 129.7 -15.8 -3.0 25.8 24 28 A S E -C 33 0C 57 9,-2.9 9,-3.8 -2,-0.3 -15,-0.0 -0.973 31.2-105.8-143.4 133.6 -13.7 -1.7 28.6 25 29 A P E +C 32 0C 54 0, 0.0 7,-0.3 0, 0.0 -15,-0.0 -0.115 28.6 177.2 -57.2 147.0 -11.2 1.4 28.4 26 30 A V 0 0 92 5,-3.1 6,-0.2 77,-0.0 18,-0.0 0.528 360.0 360.0-127.1 -21.4 -7.5 1.0 28.3 27 31 A G 0 0 88 4,-1.2 5,-0.0 0, 0.0 4,-0.0 -0.588 360.0 360.0 129.4 360.0 -6.3 4.7 28.0 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 60 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-166.2 -8.3 9.1 19.8 30 37 A S E - D 0 47C 38 17,-1.9 17,-2.2 15,-0.0 2,-0.3 -0.973 360.0-121.9-145.3 158.1 -8.8 6.5 22.6 31 38 A V E - D 0 46C 41 -2,-0.3 -5,-3.1 15,-0.2 -4,-1.2 -0.771 13.5-171.7-119.9 136.1 -8.8 2.7 23.3 32 39 A C E -CD 25 45C 1 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.943 23.4-133.9-115.4 140.6 -11.0 -0.1 24.6 33 40 A A E +CD 24 44C 1 -9,-3.8 -9,-2.9 -2,-0.4 2,-0.3 -0.738 43.2 172.8 -78.6 137.8 -10.2 -3.7 25.3 34 41 A A E - D 0 43C 0 9,-2.2 9,-2.6 -2,-0.4 2,-0.6 -0.966 35.2-110.5-149.8 164.7 -13.0 -5.7 23.8 35 42 A F E -CD 21 42C 89 -14,-2.7 -14,-1.7 -2,-0.3 2,-1.1 -0.870 20.5-150.0-105.3 112.8 -14.3 -9.3 22.9 36 43 A D E >> -C 20 0C 4 5,-2.0 4,-1.7 -2,-0.6 3,-1.4 -0.655 12.8-175.4 -86.4 101.7 -14.5 -10.4 19.3 37 44 A T T 34 S+ 0 0 77 -18,-2.5 -1,-0.2 -2,-1.1 -17,-0.1 0.758 80.8 63.0 -73.9 -26.0 -17.4 -12.8 19.1 38 45 A K T 34 S+ 0 0 143 -19,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.746 123.8 18.4 -65.4 -20.3 -16.8 -13.7 15.5 39 46 A T T <4 S- 0 0 59 -3,-1.4 2,-0.4 2,-0.2 -2,-0.2 0.458 89.2-128.2-134.3 -3.1 -13.3 -15.0 16.6 40 47 A G S < S+ 0 0 44 -4,-1.7 -3,-0.1 1,-0.2 -2,-0.1 0.040 73.5 121.5 74.4 -28.9 -13.3 -15.7 20.4 41 48 A L - 0 0 106 -2,-0.4 -5,-2.0 -5,-0.2 2,-0.4 -0.197 67.6-117.7 -70.5 155.9 -10.1 -13.6 20.4 42 49 A R E -D 35 0C 140 -7,-0.2 59,-1.6 59,-0.1 2,-0.3 -0.818 39.3-172.0-105.2 129.4 -9.7 -10.4 22.5 43 50 A V E -DE 34 100C 2 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.5 -0.781 26.4-118.7-127.8 159.2 -9.1 -7.2 20.5 44 51 A A E -DE 33 99C 12 55,-4.6 55,-3.4 -2,-0.3 2,-0.5 -0.860 24.3-166.7 -98.3 133.8 -8.2 -3.5 20.7 45 52 A V E -DE 32 98C 0 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.5 -0.966 3.8-169.8-121.0 112.5 -10.8 -1.0 19.5 46 53 A K E -DE 31 97C 61 51,-3.0 51,-3.1 -2,-0.5 2,-0.6 -0.918 10.0-156.5-107.8 126.0 -9.6 2.7 18.9 47 54 A K E -DE 30 96C 26 -17,-2.2 -17,-1.9 -2,-0.5 49,-0.2 -0.910 26.0-127.0 -92.1 119.0 -12.1 5.4 18.2 48 55 A L - 0 0 11 47,-3.0 2,-0.8 -2,-0.6 47,-0.3 -0.462 22.5-118.6 -66.9 140.5 -10.3 8.2 16.5 49 56 A S S S- 0 0 59 1,-0.3 -1,-0.1 -2,-0.1 45,-0.0 -0.747 82.2 -29.4 -85.7 112.1 -10.8 11.5 18.2 50 57 A R S > S- 0 0 142 -2,-0.8 3,-0.9 1,-0.1 -1,-0.3 0.961 73.1-164.6 47.3 75.6 -12.5 13.9 15.8 51 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.833 79.6 31.0 -61.1 -29.7 -11.0 12.3 12.7 52 59 A F T 3 S+ 0 0 20 41,-0.3 -2,-0.1 1,-0.1 266,-0.1 -0.160 75.3 121.2-126.3 41.5 -11.9 15.3 10.4 53 60 A Q S < S- 0 0 106 -3,-0.9 2,-0.3 1,-0.1 -1,-0.1 0.697 84.2 -0.3 -73.3 -26.3 -11.8 18.4 12.5 54 61 A S S > S- 0 0 41 -3,-0.2 4,-3.0 -4,-0.2 5,-0.2 -0.952 82.5 -92.8-156.2 167.5 -9.2 20.2 10.5 55 62 A I H > S+ 0 0 79 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.894 126.3 48.0 -54.1 -42.2 -7.0 19.6 7.4 56 63 A I H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.943 113.1 48.0 -70.5 -45.5 -4.2 18.2 9.5 57 64 A H H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 113.7 47.0 -52.3 -47.6 -6.6 16.0 11.4 58 65 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.888 112.8 47.2 -75.3 -33.7 -8.2 14.7 8.2 59 66 A K H X S+ 0 0 17 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.898 112.8 51.3 -70.6 -38.9 -4.9 14.0 6.5 60 67 A R H X S+ 0 0 106 -4,-2.5 4,-3.7 -5,-0.2 -2,-0.2 0.940 108.9 50.2 -56.9 -50.6 -3.6 12.2 9.6 61 68 A T H X S+ 0 0 5 -4,-2.5 4,-2.4 -10,-0.4 -1,-0.2 0.891 112.5 47.0 -55.2 -41.4 -6.7 10.1 9.8 62 69 A Y H X S+ 0 0 17 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.854 112.8 48.7 -73.8 -34.0 -6.3 9.1 6.1 63 70 A R H X S+ 0 0 74 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.907 110.6 53.1 -70.0 -43.0 -2.5 8.4 6.6 64 71 A E H X S+ 0 0 49 -4,-3.7 4,-2.5 2,-0.2 5,-0.3 0.954 111.4 43.9 -55.0 -51.2 -3.5 6.3 9.6 65 72 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.950 114.3 50.2 -67.6 -43.7 -6.0 4.2 7.6 66 73 A R H X S+ 0 0 31 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.919 112.5 46.9 -58.1 -42.6 -3.6 3.9 4.7 67 74 A L H X S+ 0 0 45 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.964 114.2 45.1 -65.3 -50.9 -0.7 2.7 7.0 68 75 A L H < S+ 0 0 19 -4,-2.5 11,-0.6 1,-0.2 3,-0.4 0.939 112.2 53.5 -59.8 -45.7 -2.7 0.2 9.0 69 76 A K H < S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.865 111.9 44.0 -57.2 -38.6 -4.3 -1.2 5.8 70 77 A H H < S+ 0 0 41 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.2 0.775 89.9 98.8 -79.1 -26.6 -0.9 -1.8 4.2 71 78 A M < + 0 0 13 -4,-1.8 8,-0.5 -3,-0.4 2,-0.2 -0.474 36.6 153.7 -71.2 109.6 0.8 -3.4 7.2 72 79 A K + 0 0 157 -2,-0.6 2,-0.3 6,-0.1 6,-0.1 -0.590 32.8 100.6-136.5 78.9 0.8 -7.2 7.0 73 80 A H S > S- 0 0 13 3,-0.5 3,-0.9 -2,-0.2 57,-0.0 -0.967 71.5-119.5-149.3 154.9 3.8 -8.6 8.9 74 81 A E T 3 S+ 0 0 99 -2,-0.3 4,-0.1 1,-0.2 56,-0.1 0.773 108.6 53.4 -80.7 -16.5 3.9 -10.1 12.4 75 82 A N T 3 S+ 0 0 4 83,-0.1 84,-2.2 2,-0.1 2,-0.3 0.069 105.7 66.4 -97.9 31.7 6.3 -7.7 14.0 76 83 A V B < S-g 159 0D 3 -3,-0.9 -3,-0.5 82,-0.3 84,-0.2 -0.988 95.9 -93.4-152.1 132.3 4.1 -4.8 13.0 77 84 A I - 0 0 41 82,-2.8 2,-0.3 -2,-0.3 -4,-0.1 -0.130 44.3-160.5 -51.6 139.2 0.6 -3.7 14.0 78 85 A G - 0 0 13 -6,-0.1 2,-0.7 -4,-0.1 22,-0.5 -0.879 17.4-118.0-124.7 159.8 -2.1 -5.0 11.8 79 86 A L + 0 0 16 -11,-0.6 20,-0.2 -8,-0.5 3,-0.1 -0.852 25.1 176.8-104.0 112.3 -5.7 -4.0 11.1 80 87 A L S S- 0 0 28 18,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.975 70.8 -12.4 -72.2 -58.1 -8.3 -6.7 11.9 81 88 A D E -F 98 0C 22 17,-1.2 17,-2.5 249,-0.1 -1,-0.3 -0.907 56.3-160.1-139.5 159.6 -11.4 -4.6 11.1 82 89 A V E +F 97 0C 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.936 22.9 164.9-144.0 133.3 -12.3 -1.0 10.4 83 90 A F E -F 96 0C 16 13,-1.6 13,-1.9 -2,-0.3 243,-0.0 -0.974 28.0-158.6-147.4 159.3 -15.7 0.6 10.7 84 91 A T - 0 0 16 -2,-0.3 11,-0.1 11,-0.2 -68,-0.1 -0.988 23.6-139.5-126.2 141.8 -18.1 3.6 10.9 85 92 A P S S+ 0 0 17 0, 0.0 -81,-0.1 0, 0.0 -1,-0.1 0.741 77.3 104.5 -61.1 -24.4 -21.7 3.8 12.2 86 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 3,-0.0 -0.294 53.7-166.2 -60.8 142.2 -22.5 6.1 9.2 87 94 A R S S+ 0 0 147 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.646 73.4 45.8-103.6 -21.7 -24.4 4.8 6.2 88 95 A S S > S- 0 0 32 1,-0.1 4,-1.8 0, 0.0 -2,-0.0 -0.852 79.9-122.2-119.0 153.5 -23.6 7.7 4.0 89 96 A L T 4 S+ 0 0 64 -2,-0.3 -1,-0.1 2,-0.2 233,-0.1 0.863 119.1 55.1 -47.2 -39.9 -20.5 9.8 3.0 90 97 A E T 4 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.935 107.8 45.4 -67.9 -47.4 -22.6 12.7 4.3 91 98 A E T 4 S+ 0 0 107 2,-0.0 -1,-0.2 -6,-0.0 -2,-0.2 0.837 86.6 122.7 -54.1 -39.3 -23.3 11.0 7.7 92 99 A F < + 0 0 0 -4,-1.8 3,-0.1 1,-0.2 230,-0.1 0.016 17.0 123.3 -45.3 105.5 -19.5 10.1 8.0 93 100 A N + 0 0 95 1,-0.2 2,-0.4 -42,-0.0 -41,-0.3 0.490 56.5 65.1-131.7 -23.0 -18.0 11.6 11.1 94 101 A D - 0 0 40 -44,-0.1 2,-0.5 -43,-0.1 -8,-0.3 -0.927 51.0-168.8-123.1 139.2 -16.5 8.7 13.1 95 102 A V - 0 0 0 -2,-0.4 -47,-3.0 -47,-0.3 2,-0.4 -0.977 4.5-170.9-129.0 127.4 -13.7 6.2 12.5 96 103 A Y E -EF 47 83C 1 -13,-1.9 -13,-1.6 -2,-0.5 2,-0.4 -0.941 5.5-160.1-119.8 143.2 -12.9 3.1 14.4 97 104 A L E -EF 46 82C 8 -51,-3.1 -51,-3.0 -2,-0.4 2,-0.5 -0.936 3.5-160.6-121.4 131.8 -9.9 0.8 14.2 98 105 A V E +EF 45 81C 0 -17,-2.5 -18,-2.0 -2,-0.4 -17,-1.2 -0.981 22.0 159.2-117.0 127.4 -9.8 -2.8 15.5 99 106 A T E -E 44 0C 24 -55,-3.4 -55,-4.6 -2,-0.5 -20,-0.1 -0.892 47.7 -69.1-142.5 167.6 -6.5 -4.4 16.2 100 107 A H E -E 43 0C 83 -22,-0.5 2,-0.4 -2,-0.3 -57,-0.2 -0.280 52.3-117.5 -57.9 136.4 -5.0 -7.3 18.2 101 108 A L + 0 0 45 -59,-1.6 -59,-0.1 1,-0.2 -1,-0.1 -0.670 44.8 163.3 -75.2 129.9 -5.2 -6.7 21.9 102 109 A M - 0 0 41 -2,-0.4 2,-1.5 1,-0.1 -1,-0.2 0.694 13.0-175.8-120.6 -31.2 -1.6 -6.6 23.0 103 110 A G + 0 0 66 47,-0.1 2,-0.1 49,-0.1 -1,-0.1 -0.541 52.8 60.4 76.8 -86.0 -1.8 -4.9 26.4 104 111 A A - 0 0 33 -2,-1.5 47,-2.8 47,-0.4 2,-0.2 -0.392 62.9-151.3 -85.9 148.3 1.9 -4.5 27.6 105 112 A D B > -H 150 0D 36 45,-0.3 4,-1.1 -2,-0.1 3,-0.3 -0.662 40.0 -93.5-110.9 172.1 4.8 -2.6 26.1 106 113 A L H > S+ 0 0 1 43,-1.9 4,-2.7 40,-1.1 3,-0.4 0.820 126.2 56.7 -50.5 -36.0 8.5 -3.1 26.2 107 114 A N H > S+ 0 0 52 39,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.939 101.8 54.2 -55.1 -53.1 8.5 -0.7 29.2 108 115 A N H 4 S+ 0 0 76 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.651 118.3 38.2 -57.4 -21.8 6.0 -2.9 31.2 109 116 A I H >< S+ 0 0 12 -4,-1.1 3,-3.2 -3,-0.4 -2,-0.2 0.890 112.6 51.0 -83.1 -72.2 8.5 -5.7 30.6 110 117 A V H 3< S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.546 112.5 47.5 -49.9 -20.0 12.0 -4.0 30.9 111 118 A K T 3< S+ 0 0 150 -4,-1.6 -1,-0.3 -5,-0.2 -3,-0.1 0.547 123.1 30.3-105.2 -5.2 11.2 -2.5 34.2 112 119 A C S < S+ 0 0 72 -3,-3.2 2,-0.2 -5,-0.2 -2,-0.2 -0.079 105.7 65.9-147.2 45.6 9.7 -5.6 35.9 113 120 A Q S S- 0 0 102 -4,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.811 76.9-123.5-152.7 122.5 11.4 -8.8 34.5 114 121 A K - 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0 0 3 -4,-2.1 27,-0.1 -5,-0.4 -3,-0.1 0.262 34.3 -56.2 81.7 146.8 32.7 11.2 20.1 221 241 A T - 0 0 21 24,-0.2 2,-0.3 22,-0.2 26,-0.1 -0.118 68.4 -95.0 -45.3 147.4 32.6 14.5 18.2 222 242 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.581 38.9-141.7 -76.1 134.6 32.6 14.1 14.4 223 243 A G >> - 0 0 52 -2,-0.3 3,-3.5 -3,-0.1 4,-0.9 -0.559 41.9 -70.9 -90.7 158.4 35.9 14.2 12.6 224 244 A A H 3> S+ 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.0 0.587 126.9 58.4 -5.3 -66.5 36.6 15.8 9.2 225 245 A E H 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.801 113.4 40.1 -53.5 -32.6 34.8 13.3 7.0 226 246 A L H X4 S+ 0 0 23 -3,-3.5 3,-1.6 2,-0.2 4,-0.4 0.899 107.2 58.7 -84.9 -41.8 31.6 14.0 8.9 227 247 A L H >< S+ 0 0 32 -4,-0.9 3,-1.1 1,-0.3 -2,-0.2 0.797 95.9 70.5 -57.0 -27.5 31.9 17.8 9.2 228 248 A K T 3< S+ 0 0 181 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.804 96.9 48.2 -51.2 -40.7 32.0 17.8 5.4 229 249 A K T < S+ 0 0 87 -3,-1.6 2,-1.2 -4,-0.3 -1,-0.2 0.474 84.6 104.1 -90.4 -0.7 28.4 16.8 5.0 230 250 A I < + 0 0 10 -3,-1.1 6,-0.1 -4,-0.4 -1,-0.1 -0.652 44.2 178.7 -89.3 100.1 27.1 19.4 7.5 231 251 A S + 0 0 111 -2,-1.2 -1,-0.2 4,-0.1 -4,-0.0 0.971 49.8 88.6 -53.5 -66.6 25.5 22.3 5.4 232 252 A S > - 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0 0 127 -2,-0.3 -22,-0.2 1,-0.1 -2,-0.1 -0.594 62.7-110.2 -52.8 110.0 35.7 20.3 23.5 244 264 A Q - 0 0 164 -2,-0.6 -1,-0.1 -4,-0.1 -4,-0.1 -0.277 43.1-142.0 -52.0 134.5 36.6 17.8 20.8 245 265 A M - 0 0 50 -23,-0.0 -24,-0.2 -3,-0.0 2,-0.1 -0.864 6.6-127.5-122.0 141.7 35.7 14.3 22.1 246 266 A P - 0 0 98 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.447 31.4-112.2 -74.4 148.6 37.0 10.8 21.9 247 267 A K - 0 0 110 -27,-0.1 -28,-0.2 -2,-0.1 -27,-0.1 -0.761 41.0-128.3 -74.6 123.3 34.9 7.8 20.8 248 268 A M - 0 0 85 -30,-2.7 2,-0.7 -2,-0.6 3,-0.1 -0.226 20.7-102.2 -68.5 162.8 34.5 5.7 23.9 249 269 A N >> - 0 0 102 1,-0.2 4,-1.9 2,-0.0 3,-0.9 -0.795 26.7-155.3 -92.2 113.1 35.2 2.0 24.0 250 270 A F H 3> S+ 0 0 0 -2,-0.7 4,-3.4 1,-0.3 -1,-0.2 0.930 91.4 61.6 -59.5 -48.1 31.9 0.2 23.9 251 271 A A H 34 S+ 0 0 46 1,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.846 109.9 44.9 -43.7 -38.9 33.2 -3.0 25.5 252 272 A N H X4 S+ 0 0 108 -3,-0.9 3,-1.1 2,-0.2 -1,-0.3 0.899 113.9 47.5 -69.0 -45.1 34.0 -0.7 28.5 253 273 A V H 3< S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.882 128.1 26.2 -68.4 -38.3 30.7 1.1 28.4 254 274 A F T >< S+ 0 0 8 -4,-3.4 3,-2.1 -5,-0.2 -1,-0.3 -0.343 84.4 155.8-115.5 45.9 28.7 -2.2 28.1 255 275 A I T < + 0 0 132 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.770 67.9 42.2 -52.5 -44.3 31.3 -4.3 29.9 256 276 A G T 3 S+ 0 0 80 -4,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.592 95.1 106.4 -77.7 -8.3 29.3 -7.2 31.2 257 277 A A S < S- 0 0 21 -3,-2.1 -3,-0.0 -6,-0.2 -59,-0.0 -0.054 89.1 -80.7 -74.7 169.9 27.2 -7.5 28.0 258 278 A N >> - 0 0 46 1,-0.2 3,-3.1 2,-0.1 4,-1.6 -0.563 40.3-134.0 -68.8 111.4 27.4 -10.2 25.4 259 279 A P H 3> S+ 0 0 103 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.678 106.1 56.1 -42.0 -22.7 30.5 -9.1 23.3 260 280 A L H 3> S+ 0 0 74 2,-0.2 4,-1.7 1,-0.1 27,-0.3 0.841 106.7 48.2 -76.5 -33.9 28.4 -9.8 20.1 261 281 A A H <> S+ 0 0 0 -3,-3.1 4,-2.0 2,-0.2 -1,-0.1 0.916 110.2 54.1 -68.4 -40.5 25.7 -7.5 21.3 262 282 A V H X S+ 0 0 9 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.916 107.2 48.8 -56.8 -47.8 28.4 -4.9 22.0 263 283 A D H X S+ 0 0 50 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.915 109.2 53.5 -61.0 -48.3 29.8 -5.1 18.5 264 284 A L H X S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.848 105.5 53.2 -54.5 -43.2 26.3 -4.7 17.1 265 285 A L H >X S+ 0 0 0 -4,-2.0 4,-3.9 2,-0.2 3,-1.1 0.915 106.4 54.1 -56.7 -46.0 25.8 -1.5 19.1 266 286 A E H 3< S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.950 109.8 46.5 -50.5 -53.2 29.0 -0.2 17.6 267 287 A K H 3< S+ 0 0 90 -4,-2.2 10,-2.7 1,-0.2 -1,-0.3 0.578 119.4 43.4 -66.6 -8.4 27.6 -0.9 14.2 268 288 A M H << S+ 0 0 0 -3,-1.1 2,-1.2 -4,-0.5 -2,-0.2 0.824 104.7 56.0-108.5 -43.3 24.3 0.8 15.2 269 289 A L S < S+ 0 0 2 -4,-3.9 2,-0.6 -5,-0.1 -1,-0.2 -0.448 71.2 141.9 -95.8 62.1 25.3 3.9 17.1 270 290 A V - 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