==== 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 3FKL . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.GHATE . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 64.5 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 . 42 12.2 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.4 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 2 2 1 0 0 1 1 0 1 0 1 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 . 0 1 2 0 2 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 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 4 A E 0 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.5 -3.5 0.3 39.0 2 5 A R - 0 0 91 1,-0.1 89,-0.0 89,-0.0 2,-0.0 -0.542 360.0-128.5 -74.5 129.1 -1.0 2.6 40.8 3 6 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.241 28.1 -98.5 -67.2 163.0 2.3 1.1 41.9 4 7 A T - 0 0 83 1,-0.0 15,-2.4 -2,-0.0 2,-0.3 -0.715 39.0-149.0 -83.4 135.0 3.7 1.4 45.4 5 8 A F E -A 18 0A 27 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.779 8.5-161.4-104.3 148.6 6.3 4.1 45.9 6 9 A Y E -A 17 0A 61 11,-2.3 11,-1.8 -2,-0.3 2,-0.3 -0.962 15.7-128.4-127.7 150.8 9.3 4.2 48.3 7 10 A R E +A 16 0A 159 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.709 30.3 160.4-105.6 149.8 11.3 7.2 49.5 8 11 A Q E -A 15 0A 63 7,-1.5 7,-3.2 -2,-0.3 2,-0.5 -0.973 35.2-121.4-163.0 144.8 15.0 7.8 49.5 9 12 A E E +A 14 0A 117 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.869 42.7 147.5-100.1 131.6 17.5 10.7 49.6 10 13 A L + 0 0 33 3,-2.2 2,-0.3 -2,-0.5 -1,-0.1 0.719 69.5 18.4-128.0 -64.2 19.9 11.0 46.7 11 14 A N S S- 0 0 62 2,-0.4 3,-0.1 23,-0.1 23,-0.1 -0.531 126.8 -68.7-115.7 64.1 21.0 14.5 45.5 12 15 A K S S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.756 119.4 92.8 51.2 32.1 20.1 16.4 48.7 13 16 A T S S- 0 0 56 -5,-0.0 -3,-2.2 2,-0.0 2,-0.8 -0.972 84.3-106.5-147.3 153.6 16.5 15.7 47.7 14 17 A I E -A 9 0A 74 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.782 31.3-159.2 -89.8 110.4 13.9 13.0 48.4 15 18 A W E -A 8 0A 2 -7,-3.2 -7,-1.5 -2,-0.8 2,-0.6 -0.797 4.7-167.7 -87.3 125.6 13.4 10.7 45.4 16 19 A E E +A 7 0A 54 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.953 21.4 159.1-117.4 109.4 10.0 8.9 45.5 17 20 A V E -A 6 0A 2 -11,-1.8 -11,-2.3 -2,-0.6 -2,-0.0 -0.887 44.4 -86.2-130.4 155.1 10.0 6.1 42.9 18 21 A P E > -A 5 0A 3 0, 0.0 3,-2.0 0, 0.0 -13,-0.2 -0.307 41.2-113.3 -60.1 148.5 8.0 2.9 42.2 19 22 A E T 3 S+ 0 0 109 -15,-2.4 22,-0.1 1,-0.3 -14,-0.1 0.755 109.8 75.1 -50.4 -34.0 9.3 -0.3 43.9 20 23 A R T 3 S+ 0 0 66 -16,-0.2 21,-3.1 20,-0.1 2,-0.6 0.770 84.3 74.5 -54.4 -28.7 10.2 -1.8 40.5 21 24 A Y E < +B 40 0B 1 -3,-2.0 2,-0.3 19,-0.2 19,-0.2 -0.806 69.3 172.2 -93.0 116.6 13.2 0.5 40.4 22 25 A Q E +B 39 0B 68 17,-2.5 17,-2.7 -2,-0.6 -2,-0.0 -0.771 45.7 28.0-122.9 162.9 16.0 -0.6 42.8 23 26 A N E S- 0 0 130 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.891 71.6-163.6 56.6 49.3 19.6 0.2 43.7 24 27 A L E + 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.454 12.5 176.2 -69.0 131.1 19.4 3.9 42.7 25 28 A S E -B 37 0B 66 12,-2.4 12,-3.5 -2,-0.2 -15,-0.1 -0.993 32.6-109.8-143.0 127.6 22.8 5.5 42.3 26 29 A P E +B 36 0B 62 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.296 31.3 173.4 -57.9 133.2 23.8 9.0 41.1 27 30 A V E - 0 0 85 8,-2.8 2,-0.2 1,-0.4 9,-0.2 0.303 51.1 -99.8-121.2 4.0 25.4 9.3 37.7 28 31 A G E -B 35 0B 37 7,-0.9 7,-3.4 2,-0.0 -1,-0.4 -0.724 58.5 -18.3 120.1-163.0 25.4 13.1 37.4 29 32 A S E +B 34 0B 115 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.488 46.3 179.7 -83.2 150.1 23.6 16.0 35.9 30 33 A G E > -B 33 0B 24 3,-3.0 3,-1.0 -2,-0.2 2,-0.6 -0.685 52.5 -56.7-125.2-170.3 21.1 15.8 33.0 31 34 A A T 3 S- 0 0 19 1,-0.3 134,-0.1 -2,-0.2 3,-0.0 -0.615 120.7 -12.7 -76.1 115.9 19.2 18.6 31.4 32 35 A Y T 3 S+ 0 0 75 -2,-0.6 21,-2.1 20,-0.1 2,-0.3 0.747 134.8 32.1 66.8 29.5 17.1 20.4 34.1 33 36 A G E < S-BC 30 52B 14 -3,-1.0 -3,-3.0 19,-0.3 2,-0.2 -0.925 86.0 -85.6 168.6 168.5 17.6 17.7 36.7 34 37 A S E -BC 29 51B 31 17,-0.9 17,-1.8 -2,-0.3 2,-0.4 -0.664 36.5-136.0-100.3 155.6 19.9 15.1 38.1 35 38 A V E -BC 28 50B 23 -7,-3.4 -8,-2.8 -2,-0.2 -7,-0.9 -0.898 14.0-167.9-119.1 135.2 20.2 11.5 36.9 36 39 A C E -BC 26 49B 0 13,-2.9 13,-3.4 -2,-0.4 2,-0.2 -0.966 18.9-132.3-119.2 139.3 20.3 8.2 38.8 37 40 A A E +BC 25 48B 16 -12,-3.5 -12,-2.4 -2,-0.4 2,-0.3 -0.608 37.1 168.9 -78.2 148.8 21.2 4.7 37.5 38 41 A A E - C 0 47B 6 9,-2.0 9,-2.7 -2,-0.2 2,-0.6 -0.976 37.4-114.2-155.3 164.1 18.8 2.0 38.6 39 42 A F E -BC 22 46B 82 -17,-2.7 -17,-2.5 -2,-0.3 2,-1.0 -0.938 23.6-147.2-105.3 118.2 17.7 -1.6 38.0 40 43 A D E >>> -BC 21 45B 2 5,-2.9 4,-2.5 -2,-0.6 5,-0.6 -0.782 9.3-166.5 -85.1 105.6 14.2 -2.0 36.6 41 44 A T T 345S+ 0 0 75 -21,-3.1 -1,-0.2 -2,-1.0 -20,-0.1 0.702 82.9 59.0 -66.4 -22.1 13.1 -5.3 38.2 42 45 A K T 345S+ 0 0 161 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.855 122.5 19.3 -75.3 -34.6 10.1 -5.5 35.7 43 46 A T T <45S- 0 0 74 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.572 95.6-124.2-113.8 -15.7 12.2 -5.5 32.6 44 47 A G T <5 + 0 0 48 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.601 67.3 134.0 76.5 12.3 15.7 -6.6 33.8 45 48 A L E < -C 40 0B 61 -5,-0.6 -5,-2.9 59,-0.0 2,-0.5 -0.652 61.4-125.0 -93.3 147.9 17.1 -3.4 32.2 46 49 A R E -C 39 0B 178 -2,-0.3 59,-1.8 -7,-0.2 2,-0.3 -0.820 42.8-169.8 -83.3 129.1 19.6 -0.9 33.7 47 50 A V E -CD 38 104B 0 -9,-2.7 -9,-2.0 -2,-0.5 2,-0.5 -0.833 25.8-128.8-124.3 158.6 17.8 2.4 33.4 48 51 A A E -CD 37 103B 12 55,-2.7 55,-2.4 -2,-0.3 2,-0.5 -0.941 23.2-163.0-104.3 128.8 18.5 6.1 33.8 49 52 A V E -CD 36 102B 1 -13,-3.4 -13,-2.9 -2,-0.5 2,-0.6 -0.955 2.8-167.5-116.5 117.1 16.1 8.0 36.0 50 53 A K E -CD 35 101B 18 51,-3.1 51,-2.8 -2,-0.5 2,-0.6 -0.923 6.8-158.2-104.7 122.3 16.0 11.8 35.8 51 54 A K E -CD 34 100B 21 -17,-1.8 -17,-0.9 -2,-0.6 2,-0.2 -0.891 22.7-130.4 -93.3 117.8 14.1 13.8 38.5 52 55 A L E -C 33 0B 4 47,-2.6 2,-0.6 -2,-0.6 47,-0.4 -0.499 19.5-127.9 -67.9 130.8 13.2 17.2 37.1 53 56 A S S S- 0 0 63 -21,-2.1 -1,-0.1 1,-0.3 45,-0.0 -0.744 79.1 -24.1 -86.9 122.7 14.2 19.9 39.5 54 57 A R S > S- 0 0 177 -2,-0.6 3,-0.9 1,-0.1 -1,-0.3 0.930 74.2-177.1 37.2 72.9 11.3 22.3 40.3 55 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.695 76.5 34.2 -71.2 -17.6 9.5 21.5 37.0 56 59 A F T 3 S+ 0 0 15 41,-0.3 -2,-0.1 1,-0.1 275,-0.1 0.036 77.7 111.2-128.2 27.1 6.6 24.0 37.7 57 60 A Q S < S+ 0 0 117 -3,-0.9 2,-0.3 1,-0.1 -1,-0.1 0.778 88.6 9.3 -74.8 -26.5 8.2 26.9 39.5 58 61 A S S > S- 0 0 36 -4,-0.2 4,-3.0 -3,-0.1 5,-0.2 -0.921 79.6-103.1-143.1 169.2 7.8 29.4 36.6 59 62 A I H > S+ 0 0 84 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.911 124.0 52.3 -57.8 -43.2 6.1 29.6 33.2 60 63 A I H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 113.4 42.6 -58.8 -47.7 9.5 29.0 31.6 61 64 A H H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.891 114.5 50.1 -66.2 -43.2 10.1 25.9 33.8 62 65 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.887 112.5 46.8 -65.3 -40.8 6.5 24.6 33.3 63 66 A K H X S+ 0 0 33 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.867 112.5 49.3 -68.7 -37.6 6.7 25.0 29.5 64 67 A R H X S+ 0 0 38 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.806 108.7 53.8 -74.2 -29.1 10.1 23.4 29.3 65 68 A T H X S+ 0 0 4 -4,-1.9 4,-2.2 -10,-0.4 -2,-0.2 0.952 112.2 43.9 -65.3 -49.6 8.8 20.5 31.4 66 69 A Y H X S+ 0 0 11 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.924 112.9 53.9 -58.9 -45.6 6.0 20.0 28.9 67 70 A R H X S+ 0 0 41 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.923 109.6 45.9 -53.6 -53.1 8.4 20.4 26.0 68 71 A E H X S+ 0 0 12 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.930 113.4 48.8 -60.0 -48.3 10.8 17.7 27.2 69 72 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.907 111.4 49.3 -60.1 -44.4 8.0 15.2 28.0 70 73 A R H X S+ 0 0 35 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.909 113.3 47.8 -60.5 -43.0 6.4 15.8 24.6 71 74 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.2 3,-0.3 0.951 113.9 45.9 -61.2 -50.7 9.8 15.3 22.9 72 75 A L H < S+ 0 0 13 -4,-3.0 11,-0.7 1,-0.2 -2,-0.2 0.892 111.5 51.7 -62.7 -42.4 10.5 12.1 24.8 73 76 A K H < S+ 0 0 37 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.792 113.5 45.5 -64.4 -30.2 7.1 10.6 24.3 74 77 A H H < S+ 0 0 37 -4,-1.4 2,-0.5 -3,-0.3 240,-0.2 0.868 89.5 91.3 -81.2 -39.4 7.3 11.2 20.5 75 78 A M < + 0 0 2 -4,-2.0 8,-0.5 -5,-0.1 2,-0.3 -0.475 40.4 162.9 -73.2 113.9 10.9 9.9 19.7 76 79 A K + 0 0 160 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.714 29.2 118.2-130.8 81.0 11.0 6.2 18.8 77 80 A H > - 0 0 18 3,-0.5 3,-1.6 -2,-0.3 57,-0.0 -0.995 66.5-122.3-149.3 143.5 14.3 5.5 17.1 78 81 A E T 3 S+ 0 0 126 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.789 113.1 41.9 -56.9 -32.6 17.3 3.3 17.9 79 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.0 2,-0.1 2,-0.4 0.128 104.3 75.6-106.3 18.7 19.8 6.2 17.9 80 83 A V B < S-f 163 0C 1 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.999 92.0-102.5-134.8 129.3 17.6 8.7 19.8 81 84 A I - 0 0 11 82,-2.6 2,-0.3 -2,-0.4 -6,-0.1 -0.276 45.9-158.3 -54.0 133.1 17.0 8.5 23.5 82 85 A G - 0 0 20 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.762 18.7-108.5-118.7 162.5 13.6 7.1 24.2 83 86 A L + 0 0 13 -11,-0.7 20,-0.2 -8,-0.5 3,-0.1 -0.805 31.5 169.2 -95.3 112.5 11.1 7.1 27.1 84 87 A L S S- 0 0 27 18,-2.7 2,-0.3 -2,-0.7 19,-0.2 0.815 72.7 -11.9 -83.4 -34.8 10.7 3.8 28.9 85 88 A D E -E 102 0B 23 17,-1.4 17,-3.1 258,-0.1 -1,-0.4 -0.984 50.2-164.4-160.8 152.3 8.6 5.3 31.7 86 89 A V E +E 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.967 25.4 171.2-139.3 133.0 7.5 8.6 33.2 87 90 A F E -E 100 0B 13 13,-1.7 13,-2.0 -2,-0.3 252,-0.0 -0.953 23.3-166.2-140.9 160.6 6.0 8.7 36.7 88 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.985 23.6-140.9-137.5 140.9 4.8 11.0 39.5 89 92 A P S S+ 0 0 16 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.655 73.5 111.6 -69.2 -14.9 4.0 10.0 43.1 90 93 A A - 0 0 15 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.340 55.5-161.0 -64.4 137.6 1.1 12.4 42.9 91 94 A R S S+ 0 0 173 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.519 74.8 20.0 -96.5 -10.2 -2.4 10.8 43.0 92 95 A S S > S- 0 0 30 1,-0.1 4,-0.9 0, 0.0 3,-0.3 -0.937 84.1-101.6-149.3 170.8 -4.1 13.9 41.5 93 96 A L T 4 S+ 0 0 53 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.836 119.2 55.8 -64.7 -34.8 -3.4 17.0 39.5 94 97 A E T 4 S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.781 111.6 42.8 -71.2 -27.8 -3.6 19.2 42.6 95 98 A E T 4 S+ 0 0 113 -3,-0.3 -1,-0.2 2,-0.0 -2,-0.2 0.602 88.2 118.6 -86.3 -16.9 -0.8 17.1 44.3 96 99 A F < + 0 0 1 -4,-0.9 3,-0.1 1,-0.2 239,-0.1 -0.338 21.6 126.4 -62.1 117.8 1.2 17.0 41.1 97 100 A N + 0 0 84 1,-0.3 2,-0.4 -2,-0.2 -41,-0.3 0.496 54.2 59.7-144.5 -24.3 4.6 18.6 41.6 98 101 A D - 0 0 45 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.926 54.0-163.3-121.0 143.3 7.4 16.2 40.6 99 102 A V - 0 0 1 -47,-0.4 -47,-2.6 -2,-0.4 2,-0.4 -0.990 4.3-169.1-125.3 128.5 8.2 14.6 37.2 100 103 A Y E -DE 51 87B 2 -13,-2.0 -13,-1.7 -2,-0.4 2,-0.4 -0.964 5.5-159.5-118.4 136.6 10.6 11.6 36.8 101 104 A L E -DE 50 86B 4 -51,-2.8 -51,-3.1 -2,-0.4 2,-0.5 -0.957 3.0-160.3-121.5 130.5 11.8 10.4 33.4 102 105 A V E +DE 49 85B 0 -17,-3.1 -18,-2.7 -2,-0.4 -17,-1.4 -0.930 20.0 155.5-116.8 127.3 13.1 6.9 32.7 103 106 A T E -D 48 0B 22 -55,-2.4 -55,-2.7 -2,-0.5 -20,-0.1 -0.802 50.6 -68.5-132.4 176.5 15.3 5.9 29.8 104 107 A H E -D 47 0B 65 -22,-0.4 2,-0.6 -2,-0.3 -57,-0.2 -0.395 50.3-121.1 -61.2 147.1 17.9 3.2 28.9 105 108 A L - 0 0 58 -59,-1.8 2,-0.3 -67,-0.1 -59,-0.2 -0.863 26.8-154.7 -92.6 123.1 21.1 3.5 30.8 106 109 A M - 0 0 32 -2,-0.6 50,-0.2 1,-0.1 3,-0.1 -0.749 16.5-129.7 -99.0 149.3 24.1 3.9 28.5 107 110 A G S S- 0 0 55 -2,-0.3 2,-0.3 1,-0.1 49,-0.2 0.791 75.4 -26.0 -67.1 -33.4 27.6 2.9 29.5 108 111 A A E -G 155 0C 33 47,-1.6 47,-2.8 -3,-0.0 2,-0.3 -0.949 60.3-103.2-164.1 176.5 29.4 6.1 28.6 109 112 A D E >> -G 154 0C 43 -2,-0.3 4,-0.9 45,-0.3 3,-0.9 -0.740 43.6 -97.9-111.0 170.8 29.5 9.2 26.4 110 113 A L H 3> S+ 0 0 0 43,-2.0 4,-2.0 40,-1.5 41,-0.2 0.738 120.0 62.8 -62.4 -27.4 31.6 10.0 23.3 111 114 A N H 3> S+ 0 0 64 39,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.912 100.2 53.8 -57.5 -45.6 34.1 11.9 25.4 112 115 A N H <4 S+ 0 0 86 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.9 46.6 -60.2 -32.0 34.9 8.8 27.4 113 116 A I H < S+ 0 0 44 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.849 109.3 52.7 -80.3 -37.6 35.6 6.9 24.1 114 117 A V H >< S+ 0 0 5 -4,-2.0 3,-2.1 2,-0.1 -2,-0.2 0.963 70.4 167.1 -62.2 -55.8 37.8 9.7 22.5 115 118 A K T 3< S- 0 0 133 -4,-2.0 -3,-0.1 1,-0.3 3,-0.1 0.845 78.0 -59.3 34.9 63.2 40.3 10.0 25.5 116 119 A C T 3 S+ 0 0 100 1,-0.1 2,-0.3 96,-0.1 -1,-0.3 0.375 116.4 104.0 59.7 -3.4 43.0 12.1 23.7 117 120 A Q S < S- 0 0 113 -3,-2.1 95,-0.2 -4,-0.1 -1,-0.1 -0.772 72.7-110.4-114.3 152.6 43.4 9.3 21.2 118 121 A K - 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0 0 36 -2,-0.3 -9,-0.1 1,-0.1 -33,-0.0 -0.384 29.1-146.9 -58.6 133.9 39.3 19.3 19.2 215 222 A L S S+ 0 0 33 -11,-0.4 -1,-0.1 1,-0.2 -34,-0.1 0.942 89.5 17.8 -70.8 -50.2 38.8 20.8 15.8 216 223 A F + 0 0 5 -36,-0.3 2,-2.5 2,-0.1 -1,-0.2 -0.594 69.0 173.2-123.8 70.5 38.1 24.4 17.0 217 224 A P - 0 0 38 0, 0.0 -40,-0.1 0, 0.0 -37,-0.0 -0.361 19.0-177.7 -79.7 66.9 39.2 24.8 20.6 218 225 A G - 0 0 0 -2,-2.5 -42,-0.4 1,-0.1 -39,-0.1 -0.319 30.7-145.5 -65.4 144.5 38.6 28.5 20.8 219 226 A T S S- 0 0 69 -44,-0.2 2,-0.3 1,-0.1 -44,-0.2 0.555 83.8 -11.4 -83.9 -11.1 39.5 30.3 24.0 220 227 A D S > S- 0 0 63 -47,-0.1 4,-2.6 -46,-0.1 5,-0.2 -0.941 89.4 -76.0-168.4-178.4 36.5 32.6 23.5 221 228 A H H > S+ 0 0 59 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.904 127.7 42.8 -58.3 -46.0 33.9 33.5 20.8 222 229 A I H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 114.0 49.5 -69.2 -47.5 36.3 35.7 18.7 223 230 A D H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 112.4 49.8 -57.5 -42.4 39.2 33.3 19.0 224 231 A Q H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.898 108.7 51.4 -65.2 -41.7 36.9 30.4 17.9 225 232 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.924 109.6 50.2 -59.4 -45.0 35.6 32.3 14.9 226 233 A K H X S+ 0 0 112 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.905 110.2 50.1 -62.5 -42.1 39.2 33.1 13.8 227 234 A L H X S+ 0 0 62 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.919 113.0 47.7 -58.1 -45.5 40.0 29.4 14.1 228 235 A I H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.6 0.950 112.8 46.1 -60.3 -50.8 36.9 28.5 12.1 229 236 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.802 104.3 62.0 -69.9 -29.6 37.6 31.1 9.3 230 237 A R H 3< S+ 0 0 157 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.884 114.6 36.2 -58.0 -38.6 41.2 30.1 9.0 231 238 A L H << S+ 0 0 10 -4,-1.2 30,-2.6 -3,-0.6 -2,-0.2 0.959 130.5 26.4 -78.9 -56.4 39.9 26.6 8.0 232 239 A V H < S- 0 0 19 -4,-2.7 28,-0.3 28,-0.2 52,-0.2 0.519 109.3-118.0 -90.8 -6.5 36.8 27.3 5.9 233 240 A G < - 0 0 3 -4,-1.9 -1,-0.2 26,-0.4 -3,-0.1 0.048 38.7 -59.3 86.9 158.5 37.8 30.8 4.7 234 241 A T - 0 0 28 24,-2.2 26,-0.1 1,-0.1 50,-0.1 -0.401 69.7 -87.8 -70.5 151.7 36.1 34.2 5.3 235 242 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.280 39.5-128.5 -65.4 147.0 32.5 34.5 4.0 236 243 A G > - 0 0 45 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.246 33.3 -93.9 -81.8 178.0 31.7 35.6 0.5 237 244 A A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.850 122.6 59.1 -62.5 -36.2 29.3 38.4 -0.5 238 245 A E H > S+ 0 0 107 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.917 109.8 40.2 -60.9 -49.3 26.4 35.9 -0.9 239 246 A L H >> S+ 0 0 10 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.893 109.4 62.1 -66.4 -39.7 26.6 34.7 2.7 240 247 A L H >< S+ 0 0 23 -4,-2.1 3,-1.0 1,-0.3 -2,-0.2 0.901 101.2 51.9 -53.0 -45.9 27.2 38.2 3.9 241 248 A K H 3< S+ 0 0 174 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.843 105.8 56.4 -56.5 -37.2 23.8 39.4 2.5 242 249 A K H << S+ 0 0 61 -4,-0.9 2,-1.5 -3,-0.5 -1,-0.2 0.657 78.6 98.9 -74.1 -18.5 22.2 36.5 4.4 243 250 A I << - 0 0 0 -3,-1.0 6,-0.2 -4,-1.0 -52,-0.2 -0.584 56.1-172.8 -72.0 94.1 23.6 37.7 7.8 244 251 A S + 0 0 87 -2,-1.5 2,-0.8 -54,-0.2 -53,-0.2 0.729 61.5 88.4 -66.0 -25.9 20.4 39.4 9.0 245 252 A S > - 0 0 38 -55,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.689 64.2-162.8 -74.9 108.3 22.2 40.9 12.0 246 253 A E H > S+ 0 0 151 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.874 90.4 52.5 -58.6 -39.0 23.6 44.2 10.7 247 254 A S H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 111.0 44.9 -63.7 -47.6 26.0 44.3 13.7 248 255 A A H > S+ 0 0 13 -59,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 113.4 50.8 -64.0 -43.8 27.3 40.7 13.1 249 256 A R H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.910 107.0 54.0 -61.3 -45.1 27.7 41.4 9.4 250 257 A N H X S+ 0 0 117 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.877 109.8 46.9 -58.3 -42.5 29.7 44.6 10.0 251 258 A Y H >X S+ 0 0 73 -4,-1.6 3,-0.7 2,-0.2 4,-0.5 0.914 110.0 54.4 -64.3 -43.0 32.2 42.8 12.3 252 259 A I H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.908 105.6 51.9 -57.7 -45.2 32.6 40.0 9.7 253 260 A Q H 3< S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 98.6 66.9 -64.7 -23.9 33.5 42.4 6.9 254 261 A S H << S+ 0 0 84 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.2 0.691 83.1 97.1 -70.6 -19.2 36.2 44.0 9.0 255 262 A L S << S- 0 0 34 -3,-1.3 2,-0.1 -4,-0.5 3,-0.1 -0.481 86.9-104.2 -79.5 140.5 38.2 40.8 9.0 256 263 A T - 0 0 124 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.400 46.8-106.5 -60.2 131.5 41.1 40.2 6.6 257 264 A Q - 0 0 164 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.373 40.0-174.4 -68.3 138.4 39.9 37.8 3.8 258 265 A M - 0 0 66 -2,-0.1 -24,-2.2 -29,-0.1 2,-0.2 -0.992 19.6-125.5-133.3 140.1 41.3 34.3 3.9 259 266 A P - 0 0 110 0, 0.0 -26,-0.4 0, 0.0 2,-0.1 -0.508 39.0 -90.4 -79.1 153.8 40.8 31.4 1.5 260 267 A K - 0 0 101 -28,-0.3 -28,-0.2 -2,-0.2 -29,-0.1 -0.388 48.3-125.1 -54.8 134.3 39.5 28.0 2.4 261 268 A M - 0 0 59 -30,-2.6 2,-0.7 -31,-0.2 -1,-0.1 -0.353 27.4 -92.5 -77.2 165.6 42.4 25.7 3.4 262 269 A N >> - 0 0 90 1,-0.2 3,-0.9 -2,-0.1 4,-0.7 -0.736 29.8-157.7 -81.0 113.8 43.1 22.3 1.9 263 270 A F H 3> S+ 0 0 2 -2,-0.7 4,-3.0 1,-0.3 3,-0.5 0.821 92.5 60.3 -65.2 -30.4 41.3 19.7 4.1 264 271 A A H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.785 106.6 47.1 -65.1 -28.5 43.7 17.0 2.8 265 272 A N H <4 S+ 0 0 118 -3,-0.9 3,-0.3 1,-0.1 -1,-0.2 0.580 114.9 47.1 -85.9 -12.8 46.6 19.0 4.3 266 273 A V H < S+ 0 0 49 -4,-0.7 2,-0.5 -3,-0.5 -2,-0.2 0.830 117.7 39.1 -92.0 -41.1 44.6 19.5 7.5 267 274 A F S >< S- 0 0 10 -4,-3.0 3,-1.7 -5,-0.1 -1,-0.2 -0.553 83.5-169.9-111.3 64.4 43.6 15.8 8.0 268 275 A I T 3 + 0 0 135 -2,-0.5 3,-0.1 -3,-0.3 -3,-0.1 -0.277 69.6 10.9 -61.3 133.1 46.7 14.0 6.9 269 276 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -5,-0.2 2,-0.1 0.272 94.2 134.9 85.5 -11.2 46.3 10.2 6.5 270 277 A A S < S- 0 0 26 -3,-1.7 -1,-0.3 -6,-0.2 -3,-0.1 -0.395 71.2 -86.2 -72.1 147.2 42.5 10.3 6.8 271 278 A N >> - 0 0 39 1,-0.2 4,-2.1 -3,-0.1 3,-0.9 -0.303 36.2-131.9 -47.3 121.9 40.2 8.4 4.4 272 279 A P H 3> S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.759 108.4 56.3 -55.2 -26.2 39.7 10.7 1.3 273 280 A L H 3> S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 27,-0.3 0.851 105.4 50.3 -71.9 -37.3 36.0 10.0 1.6 274 281 A A H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.918 110.9 49.7 -63.5 -44.5 36.0 11.2 5.2 275 282 A V H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.908 110.5 50.4 -59.7 -45.7 37.8 14.4 4.0 276 283 A D H X S+ 0 0 51 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.950 112.1 46.5 -57.8 -52.1 35.2 14.8 1.2 277 284 A L H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.5 0.885 109.7 54.6 -58.6 -42.7 32.3 14.5 3.7 278 285 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.3 0.886 104.5 54.2 -57.0 -42.6 34.0 16.9 6.1 279 286 A E H 3< S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 110.5 47.2 -62.0 -29.2 34.2 19.5 3.4 280 287 A K H << S+ 0 0 85 -4,-1.1 10,-2.3 -3,-0.5 3,-0.3 0.678 116.0 43.5 -86.7 -22.6 30.5 19.2 2.8 281 288 A M H < S+ 0 0 0 -4,-1.4 2,-1.4 -3,-0.3 -2,-0.2 0.854 106.3 59.9 -87.0 -42.3 29.6 19.4 6.5 282 289 A L S < S+ 0 0 3 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.373 72.7 138.6 -89.9 57.8 31.9 22.3 7.5 283 290 A V - 0 0 39 -2,-1.4 6,-0.1 -3,-0.3 -3,-0.1 -0.883 50.6-143.5-103.8 132.7 30.4 24.8 5.1 284 291 A L S S+ 0 0 15 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.912 86.2 72.6 -63.1 -46.4 30.0 28.4 6.5 285 292 A D S >> S- 0 0 11 1,-0.2 3,-1.6 2,-0.1 4,-0.7 -0.618 71.0-157.0 -74.3 112.3 26.7 29.0 4.6 286 293 A S T 34 S+ 0 0 7 -2,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.752 90.5 63.8 -64.3 -25.5 24.1 26.9 6.4 287 294 A D T 34 S+ 0 0 104 1,-0.2 -1,-0.3 -93,-0.0 -2,-0.1 0.740 108.3 41.5 -65.5 -24.6 21.9 26.9 3.2 288 295 A K T <4 S+ 0 0 114 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.497 87.5 114.7-105.2 -6.5 24.7 25.0 1.4 289 296 A R S < S- 0 0 7 -4,-0.7 -8,-0.2 -3,-0.3 -93,-0.1 -0.331 76.2-101.8 -64.5 142.5 25.6 22.5 4.2 290 297 A I - 0 0 18 -10,-2.3 2,-0.2 -13,-0.2 -1,-0.1 -0.366 38.4-130.4 -60.3 144.1 24.9 18.8 3.5 291 298 A T > - 0 0 49 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.517 20.1-108.7 -92.1 167.7 21.8 17.5 5.3 292 299 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.941 120.9 49.5 -60.6 -47.2 21.6 14.4 7.5 293 300 A A H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.926 114.9 44.6 -58.2 -46.5 19.5 12.5 4.8 294 301 A Q H >4 S+ 0 0 112 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.879 110.4 55.0 -64.3 -40.6 22.1 13.5 2.1 295 302 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 6,-0.2 0.848 99.6 60.1 -63.2 -36.0 25.1 12.6 4.3 296 303 A L H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.1 53.1 -63.2 -26.6 23.8 9.1 4.9 297 304 A A T << S+ 0 0 64 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.469 84.1 117.6 -87.6 -5.3 24.0 8.5 1.1 298 305 A H S X S- 0 0 21 -3,-1.5 3,-2.1 -4,-0.3 7,-0.1 -0.373 78.2-117.2 -64.2 143.2 27.6 9.7 1.0 299 306 A A G > S+ 0 0 58 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.668 107.5 75.9 -53.7 -23.8 30.2 7.1 -0.1 300 307 A Y G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -27,-0.3 3,-0.2 0.786 99.2 43.7 -61.4 -27.7 31.9 7.2 3.3 301 308 A F G X> S+ 0 0 0 -3,-2.1 4,-3.0 -6,-0.2 3,-1.7 0.021 73.7 126.6-106.8 28.1 29.0 5.1 4.8 302 309 A A T <4 S+ 0 0 80 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.814 73.0 51.1 -57.5 -35.4 28.7 2.5 2.0 303 310 A Q T 34 S+ 0 0 121 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.559 122.2 30.5 -81.7 -8.5 29.0 -0.4 4.3 304 311 A Y T <4 S+ 0 0 57 -3,-1.7 -2,-0.2 -8,-0.1 -1,-0.2 0.650 88.9 110.3-116.4 -29.0 26.3 0.8 6.7 305 312 A H < + 0 0 61 -4,-3.0 5,-0.1 -7,-0.1 -8,-0.1 -0.284 32.7 167.7 -60.3 126.3 23.9 2.8 4.5 306 313 A D > - 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