==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-04 1W7H . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.JHOTI,A.GILL,A.CLEASBY,L.DEVINE . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 63.0 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 . 39 11.1 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 . 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 . 1 0.3 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.6 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+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 . 0 1 2 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 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 0 254 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.0 -3.9 42.2 24.1 2 5 A R - 0 0 97 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.624 360.0-130.7 -74.6 125.4 -1.9 39.7 22.1 3 6 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.228 23.3 -98.5 -71.9 166.8 1.3 41.2 20.8 4 7 A T - 0 0 87 2,-0.0 15,-2.0 1,-0.0 2,-0.3 -0.736 38.5-153.0 -86.3 131.8 2.5 41.0 17.2 5 8 A F E -A 18 0A 27 -2,-0.4 2,-0.3 13,-0.2 11,-0.0 -0.714 6.2-160.0-100.9 154.0 5.2 38.4 16.4 6 9 A Y E -A 17 0A 60 11,-2.1 11,-1.8 -2,-0.3 2,-0.3 -0.982 11.0-134.7-131.3 153.3 7.8 38.3 13.8 7 10 A R E +A 16 0A 183 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.742 26.3 158.3-104.1 146.7 9.8 35.4 12.3 8 11 A Q E -A 15 0A 63 7,-2.0 7,-3.5 -2,-0.3 2,-0.5 -0.961 33.0-124.1-157.0 157.7 13.5 34.9 11.5 9 12 A E E -A 14 0A 141 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.862 25.6-173.2-103.1 132.6 15.9 32.0 10.9 10 13 A L E > -A 13 0A 23 3,-2.3 3,-1.5 -2,-0.5 15,-0.0 -0.913 58.3 -57.2-133.9 107.3 19.1 31.8 13.0 11 14 A N T 3 S+ 0 0 150 -2,-0.4 -2,-0.0 1,-0.3 -1,-0.0 0.595 133.2 0.5 55.5 16.0 21.9 29.4 12.6 12 15 A K T 3 S+ 0 0 110 1,-0.2 -1,-0.3 22,-0.0 2,-0.3 0.004 118.7 31.4 168.0 -71.5 19.4 26.6 13.0 13 16 A T E < -A 10 0A 33 -3,-1.5 -3,-2.3 -5,-0.0 2,-0.6 -0.806 69.8 -95.0-141.7 156.1 15.8 27.4 13.5 14 17 A I E -A 9 0A 78 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.704 38.0-162.2 -73.7 118.4 12.8 29.7 13.0 15 18 A W E -A 8 0A 4 -7,-3.5 -7,-2.0 -2,-0.6 2,-0.4 -0.906 6.9-172.8 -99.5 135.4 12.4 32.0 15.9 16 19 A E E +A 7 0A 45 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.924 20.5 154.3-132.6 106.8 9.1 33.7 16.3 17 20 A V E -A 6 0A 2 -11,-1.8 -11,-2.1 -2,-0.4 -2,-0.0 -0.905 46.6 -83.7-138.6 153.6 9.0 36.4 19.0 18 21 A P E > -A 5 0A 4 0, 0.0 3,-2.0 0, 0.0 -13,-0.2 -0.242 43.6-114.0 -57.5 146.3 7.1 39.6 20.1 19 22 A E T 3 S+ 0 0 111 -15,-2.0 22,-0.1 1,-0.3 -14,-0.1 0.745 108.4 76.6 -56.0 -27.7 8.3 42.8 18.4 20 23 A R T 3 S+ 0 0 63 -16,-0.2 21,-2.9 20,-0.1 2,-0.6 0.778 83.2 75.5 -56.1 -27.8 9.5 44.2 21.8 21 24 A Y E < +B 40 0B 2 -3,-2.0 2,-0.3 19,-0.2 19,-0.2 -0.796 68.2 173.2 -94.4 119.7 12.5 41.9 21.5 22 25 A Q E +B 39 0B 72 17,-2.5 17,-2.5 -2,-0.6 -2,-0.0 -0.803 45.5 29.4-124.5 160.2 15.1 43.1 19.0 23 26 A N E - 0 0 122 -2,-0.3 -1,-0.2 15,-0.2 14,-0.1 0.869 68.9-164.3 63.5 41.2 18.6 42.3 17.8 24 27 A L E + 0 0 19 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.328 10.8 179.0 -55.9 136.5 18.5 38.6 18.4 25 28 A S E -B 37 0B 68 12,-1.8 12,-2.7 -15,-0.0 -15,-0.0 -0.919 32.0-112.3-149.6 115.8 22.0 37.1 18.4 26 29 A P E +B 36 0B 59 0, 0.0 2,-0.3 0, 0.0 10,-0.3 -0.163 44.3 177.1 -50.9 131.1 22.8 33.4 19.0 27 30 A V E > +B 35 0B 62 8,-2.8 3,-1.0 1,-0.1 8,-0.6 -0.889 46.7 37.2-135.7 163.8 24.7 32.8 22.2 28 31 A G G > S- 0 0 23 -2,-0.3 3,-1.4 1,-0.3 5,-0.1 0.191 95.6-105.4 88.4 -18.0 26.2 30.0 24.3 29 32 A S G 3 S- 0 0 133 1,-0.2 -1,-0.3 6,-0.2 5,-0.1 0.768 78.1 -60.3 57.4 26.8 27.2 28.0 21.3 30 33 A G G X S+ 0 0 47 -3,-1.0 3,-1.0 3,-0.2 -1,-0.2 0.573 109.9 126.3 80.9 9.2 24.2 25.9 22.3 31 34 A A T < S+ 0 0 81 -3,-1.4 -3,-0.1 1,-0.2 -2,-0.1 0.702 81.4 37.0 -71.7 -19.7 25.7 25.1 25.7 32 35 A Y T 3 S- 0 0 119 1,-0.7 -1,-0.2 -5,-0.2 2,-0.2 0.186 127.7 -93.8-111.7 13.6 22.6 26.4 27.4 33 36 A G S < S- 0 0 37 -3,-1.0 2,-1.2 -5,-0.1 -1,-0.7 -0.668 83.0 -21.6 96.7-165.9 20.2 25.0 24.8 34 37 A S E S+ C 0 51B 24 17,-0.5 17,-2.3 -2,-0.2 2,-0.4 -0.691 86.2 166.2 -81.4 97.7 19.0 27.1 21.9 35 38 A V E -BC 27 50B 17 -2,-1.2 -8,-2.8 -8,-0.6 2,-0.4 -0.939 22.1-171.7-122.6 135.2 19.6 30.6 23.3 36 39 A C E -BC 26 49B 2 13,-2.2 13,-3.1 -2,-0.4 2,-0.3 -0.960 20.0-134.2-117.1 142.6 19.7 34.1 21.8 37 40 A A E +BC 25 48B 19 -12,-2.7 -12,-1.8 -2,-0.4 2,-0.3 -0.710 37.0 166.0 -81.9 145.1 20.7 37.4 23.4 38 41 A A E - C 0 47B 9 9,-2.4 9,-2.8 -2,-0.3 2,-0.5 -0.954 38.5-114.3-150.0 169.4 18.4 40.3 22.8 39 42 A F E -BC 22 46B 83 -17,-2.5 -17,-2.5 -2,-0.3 2,-0.9 -0.967 24.3-145.8-107.9 123.8 17.4 43.8 23.8 40 43 A D E >>> -BC 21 45B 3 5,-2.8 4,-2.4 -2,-0.5 3,-0.8 -0.797 9.3-166.0 -88.5 105.9 13.9 44.1 25.3 41 44 A T T 345S+ 0 0 79 -21,-2.9 -1,-0.1 -2,-0.9 -20,-0.1 0.706 82.9 59.2 -70.2 -19.8 12.7 47.5 24.2 42 45 A K T 345S+ 0 0 156 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.800 121.5 21.4 -76.2 -29.1 9.8 47.6 26.7 43 46 A T T <45S- 0 0 39 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.1 0.601 95.6-124.3-110.2 -17.0 12.0 47.3 29.8 44 47 A G T <5 + 0 0 45 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.588 66.7 138.7 76.4 11.5 15.4 48.5 28.5 45 48 A L E < -C 40 0B 44 -5,-0.7 -5,-2.8 -6,-0.0 2,-0.5 -0.684 57.7-129.7 -96.1 140.6 16.9 45.2 29.7 46 49 A R E -C 39 0B 178 -2,-0.3 59,-2.5 -7,-0.2 2,-0.3 -0.779 43.4-172.2 -80.1 128.7 19.4 43.0 28.0 47 50 A V E -CD 38 104B 0 -9,-2.8 -9,-2.4 -2,-0.5 2,-0.5 -0.854 31.3-134.1-130.4 154.4 17.9 39.5 28.0 48 51 A A E -CD 37 103B 17 55,-2.9 55,-2.0 -2,-0.3 2,-0.5 -0.947 23.1-162.2-103.4 130.3 18.5 35.8 27.2 49 52 A V E -CD 36 102B 2 -13,-3.1 -13,-2.2 -2,-0.5 2,-0.5 -0.949 3.4-163.6-115.1 118.2 15.7 34.1 25.3 50 53 A K E -CD 35 101B 51 51,-2.7 51,-2.2 -2,-0.5 2,-0.7 -0.879 7.5-157.5-104.2 128.4 15.5 30.3 25.3 51 54 A K E -CD 34 100B 28 -17,-2.3 -17,-0.5 -2,-0.5 49,-0.2 -0.908 24.0-131.1 -98.0 116.0 13.5 28.3 22.8 52 55 A L - 0 0 21 47,-2.4 2,-0.5 -2,-0.7 47,-0.4 -0.430 16.7-130.6 -66.4 134.9 12.8 24.9 24.2 53 56 A S S S- 0 0 95 1,-0.2 4,-0.2 -2,-0.1 -1,-0.1 -0.782 77.4 -24.4 -88.5 124.6 13.5 22.0 21.9 54 57 A R S > S- 0 0 175 -2,-0.5 3,-1.4 1,-0.1 -1,-0.2 0.888 74.9-179.7 42.0 58.2 10.7 19.5 21.5 55 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.779 77.3 34.2 -58.7 -29.8 9.2 20.4 24.9 56 59 A F T 3 S+ 0 0 25 41,-0.3 6,-0.1 1,-0.1 -2,-0.1 -0.053 77.9 117.5-120.4 30.9 6.4 17.8 24.6 57 60 A Q S < S+ 0 0 99 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.1 0.734 85.1 5.5 -74.8 -23.9 8.0 15.0 22.7 58 61 A S S > S- 0 0 35 -4,-0.2 4,-2.7 -3,-0.2 5,-0.2 -0.944 78.5-101.3-148.2 170.7 7.6 12.5 25.5 59 62 A I H > S+ 0 0 78 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.942 123.5 49.1 -56.5 -48.5 6.0 12.1 29.0 60 63 A I H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.834 114.5 44.7 -63.9 -34.6 9.4 12.7 30.6 61 64 A H H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 110.2 53.6 -78.7 -36.6 10.1 15.7 28.5 62 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.908 111.4 46.9 -61.6 -42.0 6.6 17.2 29.0 63 66 A K H X S+ 0 0 40 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.926 109.5 53.3 -67.8 -44.6 7.1 16.9 32.7 64 67 A R H X S+ 0 0 86 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.899 109.2 49.9 -51.4 -47.8 10.6 18.5 32.6 65 68 A T H X S+ 0 0 12 -4,-2.1 4,-2.2 -10,-0.4 -2,-0.2 0.950 112.2 46.2 -60.4 -51.6 9.1 21.5 30.7 66 69 A Y H X S+ 0 0 16 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.919 112.0 53.4 -53.4 -47.3 6.3 21.9 33.3 67 70 A R H X S+ 0 0 43 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.916 109.0 46.6 -57.6 -49.3 8.9 21.6 36.1 68 71 A E H X S+ 0 0 32 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.895 113.6 49.0 -62.0 -40.9 11.2 24.3 34.8 69 72 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.940 111.1 49.1 -65.7 -47.5 8.4 26.7 34.2 70 73 A R H X S+ 0 0 39 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.944 114.3 46.4 -52.6 -50.7 6.9 26.2 37.6 71 74 A L H >X S+ 0 0 11 -4,-2.3 4,-1.3 1,-0.2 3,-0.5 0.929 112.4 48.0 -63.3 -50.1 10.3 26.7 39.3 72 75 A L H 3< S+ 0 0 20 -4,-2.5 11,-0.7 1,-0.2 -1,-0.2 0.845 110.5 53.2 -59.0 -37.6 11.2 29.8 37.3 73 76 A K H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.784 107.2 52.8 -67.2 -28.1 7.8 31.4 38.0 74 77 A H H << S+ 0 0 38 -4,-1.3 2,-0.5 -3,-0.5 244,-0.2 0.846 87.0 92.4 -77.4 -34.7 8.2 30.9 41.8 75 78 A M < + 0 0 6 -4,-1.3 8,-0.4 6,-0.1 2,-0.4 -0.521 36.7 157.2 -85.0 116.8 11.5 32.5 42.3 76 79 A K + 0 0 160 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.782 29.4 114.6-136.2 84.2 11.6 36.2 43.3 77 80 A H > - 0 0 21 3,-0.5 3,-1.7 -2,-0.4 57,-0.0 -0.988 67.3-119.1-157.4 143.1 14.8 37.2 45.1 78 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.794 112.9 46.8 -56.7 -31.4 17.8 39.4 44.3 79 82 A N T 3 S+ 0 0 9 83,-0.1 84,-2.1 51,-0.1 2,-0.3 0.119 104.7 70.5-104.0 20.7 20.3 36.5 44.5 80 83 A V B < S-f 163 0C 4 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.998 86.8-104.7-139.8 140.5 18.4 34.0 42.3 81 84 A I - 0 0 17 82,-2.3 2,-0.2 -2,-0.3 -6,-0.1 -0.397 44.8-171.7 -62.8 132.5 17.6 33.9 38.6 82 85 A G - 0 0 16 -2,-0.1 2,-0.6 -4,-0.1 22,-0.3 -0.640 26.6 -96.7-119.3-178.7 14.0 34.8 37.9 83 86 A L + 0 0 11 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.876 28.2 177.7-103.8 118.9 11.5 34.8 35.0 84 87 A L S S- 0 0 29 18,-2.8 2,-0.3 -2,-0.6 19,-0.2 0.830 70.0 -18.0 -82.5 -34.3 11.1 38.1 33.1 85 88 A D E -E 102 0B 25 17,-1.3 17,-2.3 262,-0.1 -1,-0.3 -0.986 49.5-161.0-166.7 155.8 8.7 36.7 30.5 86 89 A V E +E 101 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.951 24.2 162.2-148.1 133.1 7.3 33.5 28.9 87 90 A F E -E 100 0B 15 13,-1.7 13,-2.2 -2,-0.3 256,-0.1 -0.942 24.8-160.2-146.2 163.4 5.4 33.3 25.6 88 91 A T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.985 23.4-138.3-140.8 145.1 4.2 31.1 22.7 89 92 A P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 2,-0.1 0.573 73.0 112.7 -74.6 -7.0 3.2 32.2 19.2 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.375 56.1-158.2 -69.0 142.9 0.3 29.7 19.4 91 94 A R S S+ 0 0 171 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.621 73.5 17.5 -95.4 -16.1 -3.3 31.1 19.6 92 95 A S S S- 0 0 33 1,-0.1 4,-0.4 0, 0.0 3,-0.3 -0.942 79.3-104.5-147.2 169.0 -4.9 28.1 21.2 93 96 A L S > S+ 0 0 54 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.899 116.7 62.1 -59.0 -41.9 -4.1 24.9 23.2 94 97 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.851 111.5 36.2 -56.0 -38.7 -4.7 22.9 20.0 95 98 A E T 3 S+ 0 0 96 -3,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.351 85.8 128.6 -97.4 6.7 -1.8 24.6 18.2 96 99 A F < + 0 0 0 -3,-1.5 3,-0.1 -4,-0.4 243,-0.1 -0.492 16.7 130.0 -69.6 118.7 0.5 24.9 21.2 97 100 A N + 0 0 94 -2,-0.4 2,-0.4 1,-0.3 -41,-0.3 0.529 52.4 58.8-141.3 -26.8 3.9 23.5 20.4 98 101 A D - 0 0 54 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.912 52.5-165.4-121.5 144.6 6.7 25.9 21.3 99 102 A V - 0 0 2 -2,-0.4 -47,-2.4 -47,-0.4 2,-0.4 -0.993 4.5-169.6-128.2 128.0 7.7 27.5 24.6 100 103 A Y E -DE 51 87B 3 -13,-2.2 -13,-1.7 -2,-0.4 2,-0.3 -0.958 4.1-163.4-117.3 140.1 10.1 30.5 25.0 101 104 A L E -DE 50 86B 9 -51,-2.2 -51,-2.7 -2,-0.4 2,-0.4 -0.928 2.6-157.4-122.7 145.3 11.5 31.7 28.3 102 105 A V E +DE 49 85B 0 -17,-2.3 -18,-2.8 -2,-0.3 -17,-1.3 -0.977 18.9 156.3-130.9 127.4 13.2 35.1 29.1 103 106 A T E -D 48 0B 29 -55,-2.0 -55,-2.9 -2,-0.4 -20,-0.1 -0.876 50.4 -67.5-136.5 168.7 15.6 36.1 31.8 104 107 A H E -D 47 0B 68 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.3 -0.324 56.1-110.9 -50.9 133.3 18.3 38.7 32.6 105 108 A L - 0 0 52 -59,-2.5 2,-0.4 -67,-0.1 -59,-0.1 -0.626 35.0-154.8 -68.6 118.0 21.3 38.4 30.3 106 109 A M - 0 0 57 -2,-0.5 3,-0.1 1,-0.2 50,-0.1 -0.783 12.6-174.0 -94.1 143.2 24.2 37.2 32.5 107 110 A G + 0 0 76 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.880 60.4 23.7 -99.4 -72.5 27.7 38.0 31.4 108 111 A A E -G 155 0C 26 47,-0.7 47,-2.5 3,-0.0 -1,-0.3 -0.796 60.4-155.6-101.4 138.6 30.4 36.4 33.6 109 112 A D E -G 154 0C 16 -2,-0.4 4,-0.5 45,-0.3 45,-0.3 -0.722 34.4-109.6 -99.8 165.0 30.1 33.3 35.8 110 113 A L S > S+ 0 0 4 43,-2.7 4,-2.0 40,-0.9 3,-0.2 0.769 114.4 59.0 -66.4 -25.2 32.3 32.7 38.8 111 114 A N T 4 S+ 0 0 59 39,-0.9 4,-0.4 42,-0.3 -1,-0.2 0.996 108.6 37.5 -65.2 -67.0 34.1 29.9 36.9 112 115 A N T 4 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.361 120.9 52.2 -74.6 8.1 35.4 31.7 33.8 113 116 A I T 4 S+ 0 0 86 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.813 114.8 31.1-101.4 -58.2 36.2 34.7 36.0 114 117 A V S >< S+ 0 0 22 -4,-2.0 3,-1.9 -5,-0.2 2,-0.2 0.050 80.7 160.2 -95.3 26.3 38.2 33.5 39.0 115 118 A K T 3 S- 0 0 125 -4,-0.4 3,-0.1 1,-0.3 -4,-0.1 -0.297 74.7 -12.7 -49.1 111.4 39.9 30.7 36.9 116 119 A C T 3 S+ 0 0 95 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.687 113.5 110.8 74.7 22.3 43.1 29.6 38.8 117 120 A Q < - 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0 0 42 -2,-0.4 -9,-0.1 1,-0.1 -10,-0.0 -0.396 29.0-147.3 -53.2 131.4 39.7 22.9 43.6 219 222 A L S S+ 0 0 34 -11,-0.3 -1,-0.1 1,-0.2 -34,-0.1 0.947 87.7 17.7 -72.5 -49.7 39.2 21.4 47.0 220 223 A F + 0 0 5 -36,-0.3 2,-2.2 2,-0.1 -1,-0.2 -0.531 69.3 170.2-125.4 66.8 38.4 17.8 46.0 221 224 A P - 0 0 37 0, 0.0 -40,-0.1 0, 0.0 2,-0.1 -0.400 20.6-175.2 -77.9 69.8 39.5 17.3 42.3 222 225 A G - 0 0 0 -2,-2.2 -42,-0.3 1,-0.1 -39,-0.1 -0.334 32.9-143.2 -72.9 145.6 39.0 13.6 42.2 223 226 A T S S- 0 0 73 -44,-0.1 2,-0.3 1,-0.1 -44,-0.1 0.603 86.8 -14.7 -77.2 -11.8 40.0 11.5 39.2 224 227 A D S > S- 0 0 64 -47,-0.1 4,-2.5 -45,-0.1 5,-0.2 -0.952 88.6 -74.4-173.1 179.2 36.9 9.4 39.9 225 228 A H H > S+ 0 0 62 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.861 127.7 41.6 -55.3 -41.3 34.2 8.7 42.6 226 229 A I H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 112.7 51.0 -82.3 -42.8 36.6 6.6 44.8 227 230 A D H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.918 112.1 51.1 -53.9 -42.6 39.7 8.8 44.4 228 231 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.875 106.0 53.0 -67.5 -37.7 37.4 11.7 45.4 229 232 A L H X S+ 0 0 1 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.896 107.8 52.0 -63.5 -40.2 36.0 10.0 48.5 230 233 A K H X S+ 0 0 115 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.880 108.2 50.7 -63.2 -39.6 39.6 9.4 49.6 231 234 A L H X S+ 0 0 34 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.906 113.1 47.3 -61.5 -43.7 40.5 13.1 49.2 232 235 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.947 111.9 47.7 -61.5 -51.9 37.4 14.0 51.3 233 236 A L H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.778 105.0 60.2 -66.4 -28.2 38.0 11.5 54.1 234 237 A R H < S+ 0 0 144 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.894 113.3 38.3 -64.4 -38.5 41.6 12.5 54.4 235 238 A L H < S+ 0 0 11 -4,-1.2 30,-2.7 -3,-0.4 -2,-0.2 0.954 129.9 25.9 -73.8 -53.9 40.5 16.1 55.3 236 239 A V H < S- 0 0 20 -4,-2.4 28,-0.3 28,-0.2 52,-0.2 0.518 109.9-114.4 -96.3 -5.2 37.4 15.5 57.4 237 240 A G < - 0 0 4 -4,-1.6 -1,-0.2 26,-0.4 -3,-0.1 0.085 36.6 -63.8 90.6 154.0 38.2 12.0 58.8 238 241 A T - 0 0 27 24,-2.0 26,-0.1 1,-0.1 2,-0.1 -0.406 66.8 -86.6 -70.4 152.0 36.7 8.6 58.4 239 242 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.316 37.3-136.9 -62.4 135.5 33.1 8.0 59.7 240 243 A G > - 0 0 45 -3,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.370 35.1 -93.7 -81.1 173.9 32.4 7.1 63.3 241 244 A A H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.757 122.5 62.0 -64.1 -27.3 29.9 4.4 64.3 242 245 A E H > S+ 0 0 119 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.944 110.3 38.8 -63.4 -48.3 27.1 7.0 64.7 243 246 A L H >> S+ 0 0 11 -3,-0.5 3,-1.0 1,-0.2 4,-0.5 0.881 108.2 62.7 -70.2 -39.9 27.3 8.0 61.1 244 247 A L H >< S+ 0 0 24 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.883 98.3 58.0 -51.7 -41.7 27.8 4.4 59.8 245 248 A K H 3< S+ 0 0 187 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.853 100.7 56.6 -54.2 -37.6 24.4 3.5 61.2 246 249 A K H << S+ 0 0 65 -3,-1.0 2,-0.9 -4,-0.6 -1,-0.3 0.550 82.9 93.4 -80.6 -7.7 22.8 6.2 59.1 247 250 A I << - 0 0 0 -3,-1.4 -52,-0.2 -4,-0.5 6,-0.1 -0.776 57.3-172.3 -88.0 105.4 24.2 4.7 55.9 248 251 A S + 0 0 93 -54,-1.0 2,-0.6 -2,-0.9 -1,-0.1 0.560 58.1 90.8 -87.1 -9.2 21.3 2.4 54.8 249 252 A S > - 0 0 45 -55,-0.9 4,-2.1 1,-0.2 5,-0.2 -0.779 62.4-159.3 -79.4 121.9 23.2 0.8 51.9 250 253 A E H > S+ 0 0 142 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.861 89.9 52.4 -70.6 -34.6 24.9 -2.3 53.3 251 254 A S H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 112.8 42.9 -69.7 -44.2 27.4 -2.5 50.4 252 255 A A H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 113.7 51.1 -63.5 -49.4 28.5 1.2 50.8 253 256 A R H X S+ 0 0 73 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.893 111.7 50.5 -54.3 -39.6 28.6 0.9 54.6 254 257 A N H < S+ 0 0 105 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.855 108.8 49.4 -69.9 -37.1 30.7 -2.2 54.1 255 258 A Y H >< S+ 0 0 74 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.914 106.9 55.5 -68.1 -42.4 33.1 -0.5 51.7 256 259 A I H >< S+ 0 0 10 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.873 103.8 55.8 -55.6 -38.8 33.7 2.4 54.0 257 260 A Q T 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.637 93.5 67.8 -74.1 -13.3 34.7 0.0 56.8 258 261 A S T < S+ 0 0 81 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 0.662 85.5 94.7 -76.0 -15.3 37.5 -1.5 54.7 259 262 A L S < S- 0 0 36 -3,-1.3 2,-0.2 -4,-0.4 3,-0.1 -0.524 86.0-108.2 -83.6 141.5 39.3 1.8 54.8 260 263 A T - 0 0 124 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.471 46.3-104.5 -63.6 133.1 42.1 2.5 57.4 261 264 A Q - 0 0 165 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.310 39.8-172.6 -69.0 142.6 40.7 5.0 59.9 262 265 A M - 0 0 66 -29,-0.1 -24,-2.0 -3,-0.1 2,-0.1 -0.991 17.6-128.4-136.0 141.8 41.9 8.7 59.8 263 266 A P - 0 0 107 0, 0.0 -26,-0.4 0, 0.0 2,-0.2 -0.478 39.9 -89.3 -81.3 157.0 41.3 11.7 62.1 264 267 A K - 0 0 99 -28,-0.3 -28,-0.2 -2,-0.1 -29,-0.1 -0.470 49.8-122.2 -60.1 135.6 40.0 15.1 61.0 265 268 A M - 0 0 87 -30,-2.7 2,-0.7 -31,-0.2 -1,-0.1 -0.301 25.4 -96.2 -76.4 164.7 42.9 17.3 59.9 266 269 A N >> - 0 0 89 1,-0.2 3,-1.0 -2,-0.0 4,-0.8 -0.763 31.1-158.4 -81.1 113.0 43.7 20.8 61.3 267 270 A F H 3> S+ 0 0 1 -2,-0.7 4,-3.2 1,-0.3 3,-0.2 0.772 87.4 64.6 -67.3 -27.4 42.1 23.3 58.9 268 271 A A H 34 S+ 0 0 52 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.778 105.7 44.6 -65.8 -28.2 44.4 26.1 60.0 269 272 A N H <4 S+ 0 0 120 -3,-1.0 3,-0.3 3,-0.1 -1,-0.2 0.565 115.1 49.0 -91.7 -12.0 47.3 24.2 58.6 270 273 A V H < S+ 0 0 53 -4,-0.8 2,-1.0 -3,-0.2 -2,-0.2 0.882 117.0 38.7 -82.3 -50.6 45.4 23.3 55.4 271 274 A F S >< S- 0 0 11 -4,-3.2 3,-1.9 -5,-0.1 -1,-0.2 -0.473 91.2-164.9 -99.5 62.2 44.2 26.8 54.7 272 275 A I T 3 + 0 0 143 -2,-1.0 -3,-0.1 -3,-0.3 -4,-0.1 -0.177 66.7 9.7 -57.7 129.5 47.4 28.6 55.7 273 276 A G T 3 S+ 0 0 84 -5,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.395 93.6 138.7 90.7 -3.6 47.1 32.3 56.3 274 277 A A < - 0 0 28 -3,-1.9 -1,-0.3 -6,-0.2 5,-0.1 -0.426 67.1 -85.8 -81.1 148.5 43.3 32.5 56.1 275 278 A N >> - 0 0 49 1,-0.2 4,-2.0 -2,-0.1 3,-1.3 -0.300 36.4-133.3 -45.0 121.4 41.0 34.5 58.3 276 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.767 107.8 58.2 -54.9 -29.5 40.4 32.3 61.5 277 280 A L H 3> S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 27,-0.2 0.821 105.5 49.1 -68.5 -33.5 36.7 33.2 61.1 278 281 A A H <> S+ 0 0 0 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.902 110.0 51.1 -70.8 -43.3 36.7 31.7 57.6 279 282 A V H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 109.6 50.6 -58.1 -46.9 38.5 28.6 58.9 280 283 A D H X S+ 0 0 50 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.923 110.8 48.5 -57.1 -47.2 35.8 28.2 61.6 281 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.3 0.909 108.3 54.2 -61.7 -42.6 33.0 28.5 59.0 282 285 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.893 105.7 53.3 -57.8 -41.5 34.6 25.9 56.7 283 286 A E H < S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.5 49.1 -63.4 -32.1 34.8 23.4 59.6 284 287 A K H < S+ 0 0 92 -4,-1.4 10,-1.8 -3,-0.3 3,-0.2 0.751 116.4 41.3 -81.5 -23.9 31.0 23.9 60.2 285 288 A M H < S+ 0 0 0 -4,-1.6 2,-1.7 8,-0.2 -2,-0.2 0.873 106.5 61.6 -82.8 -43.2 30.1 23.5 56.5 286 289 A L S < S+ 0 0 4 -4,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.418 71.4 137.2 -92.0 62.9 32.4 20.6 55.6 287 290 A V - 0 0 41 -2,-1.7 6,-0.2 -3,-0.2 5,-0.1 -0.924 50.3-143.4-112.4 131.6 31.0 18.0 58.0 288 291 A L S S+ 0 0 20 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.928 86.6 71.0 -62.7 -50.2 30.5 14.4 56.9 289 292 A D S > S- 0 0 13 1,-0.2 3,-2.1 3,-0.1 4,-0.4 -0.579 74.3-154.1 -70.3 108.9 27.3 13.7 58.9 290 293 A S G > S+ 0 0 9 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.787 89.3 65.7 -60.8 -29.3 24.7 15.9 57.0 291 294 A D G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.748 103.7 49.0 -59.6 -22.7 22.5 16.2 60.2 292 295 A K G < S+ 0 0 125 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.459 83.3 111.3-103.7 -3.9 25.3 18.2 61.8 293 296 A R S < S- 0 0 8 -3,-1.0 -8,-0.2 -4,-0.4 2,-0.1 -0.372 75.5-103.6 -65.7 148.5 26.2 20.7 59.1 294 297 A I - 0 0 21 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.443 37.4-128.9 -64.9 144.5 25.4 24.4 59.6 295 298 A T > - 0 0 44 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.514 20.8-108.0 -91.8 166.7 22.3 25.6 57.8 296 299 A A H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -160,-0.2 0.920 120.2 50.1 -59.7 -45.7 22.1 28.7 55.5 297 300 A A H > S+ 0 0 55 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.877 114.1 45.4 -61.5 -38.8 20.0 30.6 58.1 298 301 A Q H >4 S+ 0 0 114 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.876 110.5 53.5 -70.4 -38.5 22.5 29.8 60.8 299 302 A A H >< S+ 0 0 1 -4,-2.6 3,-2.1 1,-0.2 6,-0.2 0.850 97.9 64.8 -66.4 -34.3 25.5 30.6 58.7 300 303 A L H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 101.7 50.4 -59.9 -28.0 24.2 34.1 57.9 301 304 A A T << S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.260 84.4 121.6 -94.1 11.3 24.5 35.0 61.6 302 305 A H S X S- 0 0 23 -3,-2.1 3,-2.6 1,-0.1 7,-0.1 -0.543 75.0-118.8 -78.4 140.9 28.1 33.8 61.7 303 306 A A G > S+ 0 0 64 1,-0.3 3,-1.5 -2,-0.2 4,-0.2 0.675 107.4 74.9 -56.3 -18.8 30.7 36.4 62.8 304 307 A Y G 3 S+ 0 0 5 1,-0.3 3,-0.3 -27,-0.2 -1,-0.3 0.796 99.4 45.5 -62.1 -27.4 32.5 36.0 59.4 305 308 A F G X> S+ 0 0 0 -3,-2.6 4,-2.7 -6,-0.2 3,-1.6 0.066 71.5 120.7-105.3 22.4 29.6 38.0 57.8 306 309 A A T <4 S+ 0 0 79 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.790 72.5 60.0 -57.8 -28.3 29.3 40.8 60.4 307 310 A Q T 34 S+ 0 0 129 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.771 121.3 20.8 -67.2 -28.7 30.1 43.3 57.6 308 311 A Y T <4 S+ 0 0 57 -3,-1.6 -2,-0.2 -183,-0.0 -1,-0.2 0.599 88.2 120.2-120.5 -18.4 27.1 42.3 55.6 309 312 A H < + 0 0 69 -4,-2.7 -8,-0.1 -7,-0.1 5,-0.1 -0.310 25.3 164.6 -62.8 128.6 24.6 40.6 57.9 310 313 A D > - 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