==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 17-DEC-08 3FKO . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.KNAPP . 343 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 65.0 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 11.7 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 . 3 0.9 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 . 31 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 28.3 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 2 0 0 1 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 2 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 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 5 A R 0 0 152 0, 0.0 3,-0.0 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 121.8 21.4 47.2 102.1 2 6 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.227 360.0 -96.4 -68.0 167.1 24.5 45.4 103.3 3 7 A T - 0 0 86 2,-0.0 15,-2.0 0, 0.0 2,-0.3 -0.753 41.9-151.1 -82.6 134.1 25.7 45.5 106.9 4 8 A F E -A 17 0A 25 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.820 6.7-157.9-106.7 145.9 28.4 48.2 107.4 5 9 A Y E -A 16 0A 56 11,-2.6 11,-1.7 -2,-0.3 2,-0.3 -0.956 13.6-128.6-123.7 150.0 31.2 48.2 109.9 6 10 A R E +A 15 0A 161 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.682 28.9 164.0-100.8 149.0 33.2 51.2 111.3 7 11 A Q E -A 14 0A 61 7,-1.5 7,-3.4 -2,-0.3 2,-0.5 -0.942 33.1-129.3-162.3 132.9 37.0 51.6 111.5 8 12 A E E +A 13 0A 128 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.817 49.7 134.4 -89.6 124.9 39.3 54.5 112.1 9 13 A L + 0 0 39 3,-2.5 2,-2.7 -2,-0.5 -1,-0.1 0.442 62.6 34.6-130.3 -92.0 42.0 54.7 109.4 10 14 A N S S- 0 0 50 1,-0.2 3,-0.1 2,-0.1 25,-0.0 -0.371 128.5 -75.0 -73.8 62.0 43.1 57.8 107.5 11 15 A K S S+ 0 0 187 -2,-2.7 2,-0.3 1,-0.2 -1,-0.2 0.420 119.5 86.8 54.5 1.5 42.5 59.9 110.7 12 16 A T S S- 0 0 53 -5,-0.1 -3,-2.5 0, 0.0 2,-0.7 -0.807 88.7 -96.5-126.5 165.3 38.8 59.4 109.8 13 17 A I E -A 8 0A 60 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.734 33.4-160.0 -86.4 112.2 36.0 56.9 110.3 14 18 A W E -A 7 0A 1 -7,-3.4 -7,-1.5 -2,-0.7 2,-0.5 -0.815 5.4-170.4 -89.7 125.9 35.6 54.5 107.4 15 19 A E E +A 6 0A 44 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.924 21.3 158.4-120.6 104.3 32.2 52.9 107.3 16 20 A V E -A 5 0A 1 -11,-1.7 -11,-2.6 -2,-0.5 -2,-0.0 -0.848 45.1 -90.1-125.7 154.7 32.1 50.1 104.6 17 21 A P E > -A 4 0A 3 0, 0.0 3,-1.8 0, 0.0 -13,-0.2 -0.337 42.4-111.8 -59.5 150.1 30.1 46.9 103.8 18 22 A E T 3 S+ 0 0 109 -15,-2.0 22,-0.1 1,-0.3 -14,-0.1 0.718 110.2 75.8 -55.5 -30.3 31.4 43.7 105.4 19 23 A R T 3 S+ 0 0 66 -16,-0.2 21,-2.8 20,-0.1 2,-0.7 0.801 84.1 75.1 -52.5 -32.0 32.4 42.3 101.9 20 24 A Y E < +B 39 0B 0 -3,-1.8 2,-0.3 19,-0.2 19,-0.2 -0.780 69.6 170.9 -91.0 114.5 35.4 44.7 102.0 21 25 A Q E +B 38 0B 70 17,-2.8 17,-2.9 -2,-0.7 -2,-0.0 -0.779 45.6 30.0-122.7 163.0 38.1 43.4 104.4 22 26 A N E S- 0 0 128 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.893 71.8-164.6 57.3 48.8 41.7 44.2 105.4 23 27 A L E + 0 0 11 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.446 14.0 171.4 -68.7 131.9 41.5 47.9 104.8 24 28 A S E -B 36 0B 65 12,-2.2 12,-3.7 -2,-0.2 -15,-0.0 -0.975 34.3-112.2-147.5 124.8 44.9 49.6 104.6 25 29 A P E -B 35 0B 45 0, 0.0 2,-0.4 0, 0.0 10,-0.3 -0.281 32.5-158.4 -57.1 138.2 45.8 53.1 103.5 26 30 A V - 0 0 45 8,-2.2 3,-0.4 1,-0.2 8,-0.4 -0.971 64.0 -1.4-124.7 141.7 47.8 53.4 100.2 27 31 A G S >> S- 0 0 40 -2,-0.4 4,-0.9 1,-0.2 3,-0.8 0.940 89.9-121.6 47.4 63.4 50.1 56.3 99.0 28 32 A S T 34 S- 0 0 106 1,-0.3 -1,-0.2 -3,-0.2 5,-0.1 -0.030 83.9 -15.7 -46.7 97.6 49.4 58.4 102.1 29 33 A G B >4 S+F 32 0C 54 3,-0.9 3,-0.8 -3,-0.4 -1,-0.3 -0.279 113.0 97.6 105.2 -44.0 47.9 61.6 100.7 30 34 A A T <4 S+ 0 0 82 -3,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.844 98.9 23.0 -46.9 -51.6 49.0 61.1 97.0 31 35 A Y T 3< S- 0 0 91 -4,-0.9 2,-0.4 1,-0.4 -1,-0.3 0.427 116.1-113.4 -98.8 -1.2 45.7 59.7 95.7 32 36 A G B < S-F 29 0C 36 -3,-0.8 2,-1.3 -5,-0.4 -3,-0.9 -0.849 76.0 -9.5 107.3-144.2 43.6 61.2 98.5 33 37 A S S S+ 0 0 28 17,-0.4 17,-2.6 -2,-0.4 2,-0.4 -0.670 89.1 154.0 -91.9 79.0 41.8 59.2 101.1 34 38 A V E - C 0 49B 13 -2,-1.3 -8,-2.2 -8,-0.4 2,-0.4 -0.927 24.5-170.8-116.9 132.0 42.3 55.8 99.5 35 39 A C E -BC 25 48B 0 13,-2.9 13,-3.4 -2,-0.4 2,-0.3 -0.951 20.3-133.2-116.0 139.8 42.5 52.3 101.2 36 40 A A E +BC 24 47B 12 -12,-3.7 -12,-2.2 -2,-0.4 2,-0.3 -0.668 38.6 168.6 -77.8 145.9 43.5 49.0 99.7 37 41 A A E - C 0 46B 6 9,-2.4 9,-3.2 -2,-0.3 2,-0.5 -0.979 37.3-116.9-153.3 161.8 41.0 46.2 100.5 38 42 A F E -BC 21 45B 79 -17,-2.9 -17,-2.8 -2,-0.3 2,-0.9 -0.942 22.5-147.3-104.5 124.5 40.1 42.7 99.7 39 43 A D E >> -BC 20 44B 1 5,-2.7 4,-2.7 -2,-0.5 5,-0.6 -0.817 10.1-169.9 -91.6 102.1 36.6 42.3 98.2 40 44 A T T 45S+ 0 0 79 -21,-2.8 -1,-0.2 -2,-0.9 -20,-0.1 0.684 83.0 60.8 -66.2 -20.1 35.4 38.9 99.5 41 45 A K T 45S+ 0 0 156 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.895 122.8 16.7 -74.0 -41.0 32.4 39.1 97.1 42 46 A T T 45S- 0 0 68 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.588 96.1-123.7-108.1 -16.5 34.5 39.2 93.9 43 47 A G T <5 + 0 0 45 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.619 66.5 136.7 76.4 14.7 37.9 38.0 95.1 44 48 A L E < -C 39 0B 62 -5,-0.6 -5,-2.7 59,-0.0 2,-0.5 -0.732 60.5-126.5 -96.4 140.7 39.4 41.2 93.8 45 49 A R E -C 38 0B 182 -2,-0.3 59,-2.3 -7,-0.2 2,-0.3 -0.768 45.3-168.7 -75.9 126.0 42.0 43.4 95.5 46 50 A V E -CD 37 103B 0 -9,-3.2 -9,-2.4 -2,-0.5 2,-0.5 -0.816 27.9-133.6-123.8 157.9 40.3 46.8 95.4 47 51 A A E -CD 36 102B 15 55,-2.8 55,-2.1 -2,-0.3 2,-0.5 -0.967 22.1-161.9-107.6 126.3 41.0 50.5 96.0 48 52 A V E -CD 35 101B 0 -13,-3.4 -13,-2.9 -2,-0.5 2,-0.5 -0.943 2.1-164.4-110.8 122.3 38.4 52.3 98.1 49 53 A K E -CD 34 100B 45 51,-2.9 51,-2.8 -2,-0.5 2,-0.6 -0.933 5.7-156.9-108.6 123.4 38.3 56.1 98.0 50 54 A K E - D 0 99B 19 -17,-2.6 -17,-0.4 -2,-0.5 2,-0.3 -0.879 25.4-124.7 -94.7 123.0 36.4 58.0 100.6 51 55 A L - 0 0 16 47,-3.0 2,-0.6 -2,-0.6 47,-0.3 -0.529 19.8-127.4 -74.3 127.1 35.4 61.5 99.3 52 56 A S S S- 0 0 103 -2,-0.3 -1,-0.1 1,-0.2 45,-0.1 -0.663 77.2 -30.8 -77.5 114.3 36.6 64.3 101.5 53 57 A K S > S- 0 0 134 -2,-0.6 3,-1.1 1,-0.1 -1,-0.2 0.905 74.2-172.6 44.2 70.8 33.7 66.6 102.4 54 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.773 75.7 34.2 -71.2 -28.2 31.8 66.1 99.2 55 59 A F T 3 S+ 0 0 15 41,-0.2 -2,-0.1 1,-0.1 276,-0.1 -0.128 77.3 119.8-120.9 36.0 29.0 68.7 99.6 56 60 A Q S < S- 0 0 115 -3,-1.1 2,-0.2 2,-0.0 -1,-0.1 0.848 85.8 -1.7 -69.2 -40.2 31.0 71.4 101.4 57 61 A S S > S- 0 0 39 -4,-0.2 4,-2.3 -3,-0.2 5,-0.1 -0.808 80.0 -97.4-138.3 179.5 30.4 74.0 98.7 58 62 A I H > S+ 0 0 83 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 125.0 49.9 -65.7 -43.6 28.7 74.3 95.2 59 63 A I H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 113.6 45.3 -64.0 -40.7 32.1 73.7 93.5 60 64 A H H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.9 49.9 -67.2 -45.4 32.8 70.6 95.7 61 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.862 111.9 48.9 -61.6 -39.3 29.2 69.2 95.2 62 66 A K H X S+ 0 0 30 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.892 111.7 47.6 -69.4 -41.7 29.5 69.6 91.5 63 67 A R H X S+ 0 0 114 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.829 109.0 54.4 -73.0 -28.4 32.9 68.0 91.2 64 68 A T H X S+ 0 0 8 -4,-2.1 4,-2.2 -10,-0.4 -2,-0.2 0.947 113.0 43.5 -60.9 -50.5 31.7 65.1 93.4 65 69 A Y H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.928 113.8 52.1 -57.3 -48.9 28.8 64.7 90.9 66 70 A R H X S+ 0 0 50 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.927 110.5 46.9 -53.5 -51.6 31.3 65.1 88.0 67 71 A E H X S+ 0 0 22 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.904 114.0 47.2 -60.9 -43.6 33.7 62.4 89.4 68 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 112.6 49.2 -65.5 -44.3 30.9 59.9 90.0 69 73 A R H X S+ 0 0 37 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.911 114.3 45.7 -58.1 -46.4 29.4 60.5 86.6 70 74 A L H X S+ 0 0 5 -4,-2.5 4,-1.4 -5,-0.2 3,-0.3 0.925 114.5 46.4 -64.4 -49.3 32.8 60.0 84.9 71 75 A L H < S+ 0 0 22 -4,-2.6 11,-0.8 1,-0.2 -1,-0.2 0.835 111.2 53.5 -62.9 -35.1 33.7 56.9 86.9 72 76 A K H < S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.785 108.8 49.9 -69.5 -28.7 30.2 55.4 86.2 73 77 A H H < S+ 0 0 35 -4,-1.2 2,-0.6 -3,-0.3 241,-0.2 0.816 87.6 93.2 -79.9 -32.2 30.5 55.9 82.4 74 78 A M < + 0 0 4 -4,-1.4 8,-0.5 6,-0.2 2,-0.3 -0.532 38.7 160.2 -78.8 112.2 33.9 54.3 81.9 75 79 A K + 0 0 167 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.749 31.9 113.8-130.7 83.6 33.7 50.6 81.0 76 80 A H B > -G 79 0D 20 3,-0.5 3,-1.7 -2,-0.3 5,-0.1 -0.990 68.9-121.5-156.7 140.3 37.0 49.6 79.4 77 81 A E T 3 S+ 0 0 124 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.773 113.7 43.4 -51.5 -34.7 40.0 47.4 80.2 78 82 A N T 3 S+ 0 0 7 82,-0.1 83,-2.0 50,-0.1 2,-0.4 0.215 104.7 72.6-103.6 13.1 42.5 50.3 80.1 79 83 A V B < S-Gh 76 161D 2 -3,-1.7 -3,-0.5 81,-0.3 2,-0.3 -0.994 86.3-111.5-130.1 132.8 40.4 52.9 82.0 80 84 A I + 0 0 11 81,-2.6 2,-0.2 -2,-0.4 -6,-0.2 -0.481 48.2 172.6 -61.1 121.1 39.7 53.0 85.7 81 85 A G - 0 0 13 -2,-0.3 2,-0.6 -4,-0.1 22,-0.2 -0.533 35.4 -83.0-120.5-170.1 36.0 52.3 86.2 82 86 A L + 0 0 17 -11,-0.8 20,-0.2 -8,-0.5 3,-0.1 -0.882 30.9 173.5-109.9 113.8 33.7 51.7 89.1 83 87 A L S S- 0 0 23 18,-2.7 2,-0.3 -2,-0.6 19,-0.2 0.806 78.7 -10.3 -75.6 -34.6 33.4 48.2 90.6 84 88 A D E -E 101 0B 22 17,-1.4 17,-2.5 259,-0.1 -1,-0.3 -0.983 53.2-162.8-160.9 152.6 31.1 49.6 93.4 85 89 A V E +E 100 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.969 24.8 164.1-140.7 137.3 29.8 52.9 94.9 86 90 A F E -E 99 0B 13 13,-1.7 13,-2.0 -2,-0.3 253,-0.1 -0.987 24.8-162.1-150.0 157.4 28.2 53.1 98.4 87 91 A T - 0 0 12 -2,-0.3 11,-0.1 2,-0.2 -71,-0.1 -0.991 23.3-139.4-135.5 140.9 27.1 55.3 101.2 88 92 A P S S+ 0 0 15 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.638 75.1 109.4 -67.4 -14.4 26.3 54.3 104.8 89 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.366 57.6-158.9 -67.1 140.7 23.4 56.7 104.7 90 94 A R S S+ 0 0 175 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.524 75.6 20.0 -96.5 -9.7 19.9 55.3 104.6 91 95 A S S > S- 0 0 36 1,-0.1 4,-0.6 0, 0.0 3,-0.2 -0.948 81.5-104.9-150.5 166.6 18.3 58.4 103.0 92 96 A L T 4 S+ 0 0 49 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.812 115.7 64.7 -61.5 -32.8 19.2 61.6 101.1 93 97 A E T 4 S+ 0 0 152 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.907 111.4 31.7 -59.8 -48.2 18.7 63.5 104.4 94 98 A E T 4 S+ 0 0 106 -3,-0.2 2,-0.3 -6,-0.0 -1,-0.2 0.408 90.0 125.6 -91.4 0.5 21.7 61.8 106.2 95 99 A F < + 0 0 0 -4,-0.6 3,-0.1 -3,-0.3 240,-0.1 -0.455 17.6 128.5 -61.5 117.0 23.6 61.4 102.9 96 100 A N + 0 0 85 -2,-0.3 2,-0.4 1,-0.2 -41,-0.2 0.328 52.9 64.8-151.9 3.4 27.1 63.0 103.4 97 101 A D - 0 0 48 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.996 52.2-166.0-137.1 140.1 29.7 60.5 102.4 98 102 A V - 0 0 0 -2,-0.4 -47,-3.0 -47,-0.3 2,-0.4 -0.994 4.3-167.6-127.7 127.5 30.6 58.9 99.1 99 103 A Y E -DE 50 86B 1 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.4 -0.961 5.6-161.0-115.6 130.8 32.9 55.8 98.7 100 104 A L E -DE 49 85B 7 -51,-2.8 -51,-2.9 -2,-0.4 2,-0.4 -0.913 2.8-160.4-114.5 137.4 34.2 54.7 95.3 101 105 A V E +DE 48 84B 0 -17,-2.5 -18,-2.7 -2,-0.4 -17,-1.4 -0.968 21.6 146.9-123.8 128.6 35.6 51.2 94.6 102 106 A T E -D 47 0B 23 -55,-2.1 -55,-2.8 -2,-0.4 -20,-0.1 -0.833 51.9 -59.7-142.4-179.7 37.9 50.2 91.7 103 107 A H E -D 46 0B 64 -2,-0.2 2,-0.5 -57,-0.2 -57,-0.3 -0.356 47.0-124.9 -64.4 143.2 40.7 47.7 90.9 104 108 A L - 0 0 45 -59,-2.3 2,-0.2 -67,-0.1 -59,-0.2 -0.821 29.7-159.6 -86.1 126.2 43.8 47.8 93.0 105 109 A M - 0 0 37 -2,-0.5 49,-0.2 1,-0.1 3,-0.1 -0.603 21.7-121.3-101.7 167.5 46.9 48.2 90.7 106 110 A G S S- 0 0 48 47,-1.0 2,-0.3 1,-0.2 48,-0.2 0.955 76.6 -36.2 -72.8 -54.7 50.5 47.4 91.5 107 111 A A E -I 153 0D 30 46,-2.1 46,-3.0 3,-0.0 -1,-0.2 -0.906 61.8 -93.4-154.5 176.9 52.2 50.8 91.0 108 112 A D E -I 152 0D 12 -2,-0.3 44,-0.2 44,-0.2 41,-0.2 -0.558 42.0-104.7 -93.6 170.9 52.1 53.9 88.8 109 113 A L S >> S+ 0 0 1 42,-2.0 4,-1.2 39,-1.6 3,-0.6 0.797 115.5 63.3 -66.5 -30.3 54.2 54.4 85.7 110 114 A N G >4 S+ 0 0 65 38,-0.5 2,-1.8 1,-0.3 3,-0.8 0.981 103.3 44.5 -55.2 -64.5 56.5 56.8 87.6 111 115 A N G 34 S+ 0 0 106 1,-0.2 -1,-0.3 37,-0.1 -3,-0.1 -0.480 115.4 47.7 -86.3 66.4 57.8 54.3 90.1 112 116 A I G <4 0 0 93 -2,-1.8 -1,-0.2 -3,-0.6 -2,-0.2 0.114 360.0 360.0-164.0 -30.3 58.4 51.5 87.6 113 117 A V << 0 0 35 -4,-1.2 -1,-0.4 -3,-0.8 3,-0.1 -0.865 360.0 360.0-111.5 360.0 60.3 53.4 84.9 114 ! 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 0.0 115 120 A Q 0 0 139 0, 0.0 2,-0.6 0, 0.0 97,-0.3 0.000 360.0 360.0 360.0 -51.3 64.5 53.6 83.6 116 121 A K - 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0 0 35 -2,-0.4 -9,-0.1 1,-0.1 -10,-0.0 -0.378 28.6-146.8 -54.5 130.4 61.9 63.7 81.0 215 222 A L S S+ 0 0 33 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.939 89.3 16.6 -68.6 -50.0 61.3 65.2 77.5 216 223 A F + 0 0 4 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.560 69.1 170.8-124.5 69.0 60.5 68.8 78.5 217 224 A P - 0 0 36 0, 0.0 -40,-0.1 0, 0.0 -3,-0.0 -0.383 21.1-175.6 -79.9 69.1 61.7 69.2 82.2 218 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.324 30.9-143.5 -65.4 146.0 61.1 73.0 82.2 219 226 A T S S- 0 0 71 -44,-0.2 2,-0.3 1,-0.2 -44,-0.2 0.540 86.3 -8.3 -82.6 -11.6 62.1 75.0 85.3 220 227 A D S > S- 0 0 65 -47,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.937 89.9 -80.1-168.5 174.1 59.0 77.2 84.7 221 228 A H H > S+ 0 0 59 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.886 127.8 43.7 -51.0 -47.3 56.3 77.7 82.1 222 229 A I H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 112.6 50.0 -70.0 -47.1 58.6 79.8 79.8 223 230 A D H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 112.4 49.8 -57.0 -43.4 61.7 77.6 80.1 224 231 A Q H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 107.1 53.8 -62.1 -43.7 59.5 74.6 79.2 225 232 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.907 108.6 50.0 -56.8 -43.3 58.0 76.5 76.2 226 233 A K H X S+ 0 0 110 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.870 109.2 50.9 -64.4 -39.4 61.5 77.1 74.9 227 234 A L H X S+ 0 0 42 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.914 113.4 46.6 -60.6 -44.7 62.4 73.4 75.4 228 235 A I H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.966 112.9 47.1 -60.2 -55.7 59.3 72.5 73.4 229 236 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.760 105.7 60.1 -65.0 -25.4 59.9 75.0 70.6 230 237 A R H 3< S+ 0 0 137 -4,-1.7 -1,-0.2 -5,-0.2 31,-0.2 0.921 114.6 35.8 -65.8 -40.6 63.5 74.0 70.3 231 238 A L H << S+ 0 0 10 -4,-1.4 30,-2.7 -3,-0.5 -2,-0.2 0.950 130.9 28.5 -73.8 -51.3 62.4 70.4 69.5 232 239 A V H < S- 0 0 18 -4,-2.8 28,-0.4 28,-0.2 52,-0.3 0.543 109.3-115.0 -94.7 -8.0 59.2 71.1 67.4 233 240 A G < - 0 0 4 -4,-1.6 -1,-0.2 26,-0.4 -3,-0.1 0.054 36.9 -68.9 88.9 155.5 60.1 74.5 65.9 234 241 A T - 0 0 25 24,-2.0 26,-0.1 1,-0.1 50,-0.1 -0.435 65.9 -88.5 -72.7 153.1 58.5 77.9 66.5 235 242 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.359 36.8-137.4 -67.2 145.1 55.0 78.4 65.1 236 243 A G > - 0 0 44 -3,-0.1 4,-1.9 -2,-0.1 3,-0.2 -0.254 38.2 -87.5 -83.6-178.5 54.3 79.5 61.5 237 244 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.0 0.860 123.4 62.9 -60.1 -39.1 51.7 82.1 60.5 238 245 A E H > S+ 0 0 106 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.912 110.1 37.1 -53.1 -50.6 49.0 79.4 60.1 239 246 A L H >4 S+ 0 0 9 -3,-0.2 3,-1.0 1,-0.2 4,-0.5 0.851 108.5 63.7 -74.8 -35.8 49.1 78.4 63.8 240 247 A L H >< S+ 0 0 27 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.869 98.7 56.5 -54.7 -40.6 49.6 82.0 65.1 241 248 A K H 3< S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.790 101.7 57.4 -57.4 -32.4 46.2 82.9 63.6 242 249 A K T << S+ 0 0 62 -3,-1.0 2,-1.2 -4,-0.5 -1,-0.2 0.528 81.4 93.4 -82.7 -7.8 44.7 80.1 65.8 243 250 A I < - 0 0 0 -3,-1.2 -52,-0.2 -4,-0.5 6,-0.2 -0.744 54.1-177.0 -87.6 94.2 46.0 81.6 69.0 244 251 A S + 0 0 93 -2,-1.2 2,-1.0 -54,-0.4 -1,-0.2 0.754 60.4 92.1 -66.0 -27.0 42.9 83.7 70.0 245 252 A S > - 0 0 39 -55,-1.6 4,-2.7 1,-0.2 5,-0.2 -0.626 61.3-167.6 -70.0 101.1 44.8 85.0 73.1 246 253 A E H > S+ 0 0 147 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.824 86.7 55.3 -60.5 -34.8 46.4 88.2 71.6 247 254 A S H > S+ 0 0 101 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 111.9 41.1 -63.4 -48.7 48.6 88.4 74.6 248 255 A A H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.869 114.4 53.4 -67.5 -39.4 50.0 84.9 74.1 249 256 A R H X S+ 0 0 67 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.928 106.7 52.4 -60.1 -47.6 50.2 85.4 70.4 250 257 A N H X S+ 0 0 116 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.840 108.4 50.1 -59.5 -38.8 52.2 88.7 70.9 251 258 A Y H >< S+ 0 0 72 -4,-1.4 3,-0.8 2,-0.2 4,-0.4 0.886 106.9 54.5 -66.7 -40.5 54.8 86.9 73.1 252 259 A I H >< S+ 0 0 7 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.895 103.7 55.2 -61.0 -41.6 55.4 84.1 70.7 253 260 A Q H 3< S+ 0 0 126 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 97.8 64.6 -67.4 -17.6 56.2 86.5 67.8 254 261 A S T << S+ 0 0 80 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.645 87.1 97.2 -75.7 -16.1 58.9 88.0 70.1 255 262 A L S < S- 0 0 32 -3,-1.6 2,-0.3 -4,-0.4 3,-0.1 -0.496 85.7-107.1 -82.0 142.5 60.8 84.7 69.9 256 263 A T - 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.502 44.7-110.0 -63.1 126.1 63.6 83.9 67.6 257 264 A Q - 0 0 161 -2,-0.3 -1,-0.1 -4,-0.1 -21,-0.0 -0.312 39.1-172.9 -62.6 140.6 62.4 81.5 64.9 258 265 A M - 0 0 61 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.2 -0.998 19.5-125.0-136.9 139.3 63.7 77.9 65.1 259 266 A P - 0 0 111 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.511 39.4 -92.4 -78.5 152.8 63.3 75.0 62.8 260 267 A K - 0 0 103 -28,-0.4 -28,-0.2 -2,-0.2 -29,-0.1 -0.391 47.2-120.9 -56.2 136.0 61.9 71.6 63.9 261 268 A M - 0 0 67 -30,-2.7 2,-0.8 -31,-0.2 -1,-0.1 -0.385 26.1 -97.9 -77.2 160.9 64.8 69.3 65.0 262 269 A N >> - 0 0 87 1,-0.2 3,-1.4 -2,-0.1 4,-0.8 -0.746 29.6-155.2 -78.2 111.2 65.5 65.9 63.4 263 270 A F H 3> S+ 0 0 1 -2,-0.8 4,-3.4 1,-0.3 3,-0.2 0.776 92.2 62.4 -62.9 -28.2 63.8 63.4 65.9 264 271 A A H 34 S+ 0 0 51 1,-0.2 -1,-0.3 2,-0.2 5,-0.3 0.743 104.7 47.9 -66.1 -25.9 66.2 60.6 64.7 265 272 A N H <4 S+ 0 0 113 -3,-1.4 3,-0.3 3,-0.1 -1,-0.2 0.614 115.7 44.9 -87.5 -15.6 69.1 62.8 66.1 266 273 A V H < S+ 0 0 48 -4,-0.8 2,-0.9 -3,-0.2 -2,-0.2 0.868 117.0 42.4 -88.5 -47.6 67.2 63.4 69.4 267 274 A F S >< S- 0 0 9 -4,-3.4 3,-1.6 -5,-0.1 -1,-0.2 -0.507 87.1-170.1-100.0 65.4 66.0 59.8 69.9 268 275 A I T 3 + 0 0 144 -2,-0.9 -3,-0.1 -3,-0.3 3,-0.1 -0.311 67.3 8.2 -63.4 127.5 69.3 58.1 69.0 269 276 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 0.255 96.8 133.6 89.5 -10.9 69.2 54.3 68.6 270 277 A A S < S- 0 0 29 -3,-1.6 -1,-0.3 1,-0.1 -3,-0.1 -0.288 71.2 -81.6 -73.2 155.5 65.4 54.2 68.9 271 278 A N >> - 0 0 45 1,-0.1 4,-2.2 -3,-0.1 3,-0.7 -0.366 36.4-134.1 -51.2 121.6 63.1 52.2 66.6 272 279 A P H 3> S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.778 108.3 54.8 -53.7 -27.8 62.5 54.3 63.5 273 280 A L H 3> S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.835 105.9 50.9 -73.5 -35.4 58.8 53.5 63.8 274 281 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.922 110.7 50.0 -60.6 -46.2 58.8 54.9 67.4 275 282 A V H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 109.6 50.3 -58.3 -48.3 60.5 58.0 66.0 276 283 A D H X S+ 0 0 49 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.899 111.1 48.7 -58.4 -44.9 57.9 58.4 63.3 277 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.3 0.917 109.1 52.4 -64.1 -43.9 55.0 58.1 65.8 278 285 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.907 106.4 54.8 -56.3 -42.9 56.6 60.6 68.1 279 286 A E H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.5 46.0 -58.6 -36.1 56.9 63.1 65.2 280 287 A K H < S+ 0 0 90 -4,-1.4 10,-2.0 -3,-0.3 3,-0.3 0.741 117.4 42.6 -80.6 -26.2 53.1 62.7 64.6 281 288 A M H < S+ 0 0 0 -4,-1.8 2,-1.3 8,-0.2 -2,-0.2 0.870 108.2 58.6 -83.8 -41.4 52.2 63.1 68.3 282 289 A L S < S+ 0 0 4 -4,-3.2 2,-0.4 -5,-0.2 -1,-0.2 -0.411 72.1 140.2 -93.9 59.2 54.5 66.0 69.1 283 290 A V - 0 0 40 -2,-1.3 6,-0.2 -3,-0.3 5,-0.1 -0.871 50.6-140.9-101.9 131.9 53.2 68.4 66.5 284 291 A L S S+ 0 0 16 -2,-0.4 2,-0.6 -52,-0.3 -99,-0.2 0.942 89.2 69.0 -57.9 -52.0 52.9 72.1 67.7 285 292 A D S > S- 0 0 10 1,-0.2 3,-1.7 -3,-0.1 4,-0.4 -0.600 74.4-154.3 -71.7 113.0 49.6 72.7 65.9 286 293 A S G > S+ 0 0 6 -2,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.770 90.5 64.9 -63.7 -29.0 47.0 70.6 67.7 287 294 A D G 3 S+ 0 0 101 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.723 105.3 46.5 -59.7 -24.0 44.8 70.4 64.6 288 295 A K G < S+ 0 0 118 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.453 85.5 112.5-106.4 -3.1 47.6 68.4 62.9 289 296 A R S < S- 0 0 8 -3,-0.8 -8,-0.2 -4,-0.4 2,-0.1 -0.368 76.5-101.2 -65.2 147.8 48.4 65.9 65.7 290 297 A I - 0 0 18 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.414 37.0-129.3 -63.5 143.0 47.6 62.2 65.2 291 298 A T > - 0 0 51 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.493 23.0-107.1 -87.4 168.8 44.4 61.0 67.0 292 299 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -158,-0.2 0.913 121.3 49.8 -62.4 -43.9 44.3 57.9 69.3 293 300 A A H > S+ 0 0 49 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.904 113.6 45.8 -61.9 -43.3 42.4 55.9 66.7 294 301 A Q H >4 S+ 0 0 113 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.904 111.4 52.8 -63.8 -42.6 44.9 56.9 64.0 295 302 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 6,-0.2 0.841 101.4 59.6 -64.4 -35.3 47.9 56.1 66.3 296 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 104.4 51.2 -63.9 -30.7 46.6 52.6 67.1 297 304 A A T << S+ 0 0 67 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.385 84.7 118.7 -85.3 0.7 46.8 51.8 63.3 298 305 A H S X S- 0 0 18 -3,-1.5 3,-2.3 -4,-0.2 7,-0.1 -0.451 78.1-116.9 -70.7 143.0 50.4 53.0 63.1 299 306 A A G > S+ 0 0 57 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.668 108.7 74.9 -55.9 -21.1 53.0 50.3 62.1 300 307 A Y G 3 S+ 0 0 5 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.802 98.4 46.2 -60.4 -29.8 54.7 50.7 65.5 301 308 A F G X> S+ 0 0 0 -3,-2.3 4,-3.3 -6,-0.2 3,-1.4 0.049 73.8 123.1-103.3 25.6 51.8 48.7 67.1 302 309 A A T <4 S+ 0 0 79 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.838 73.1 51.8 -56.6 -38.5 51.6 46.0 64.5 303 310 A Q T 34 S+ 0 0 117 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.617 123.6 27.7 -77.5 -10.1 52.1 43.2 67.0 304 311 A Y T <4 S+ 0 0 71 -3,-1.4 -2,-0.2 -8,-0.1 -1,-0.2 0.668 89.8 111.6-118.0 -31.3 49.2 44.4 69.3 305 312 A H < + 0 0 63 -4,-3.3 -8,-0.1 -7,-0.1 5,-0.0 -0.230 28.2 159.7 -56.8 130.1 46.8 46.3 67.0 306 313 A D > - 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