==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-APR-12 4EH2 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.OVER,C.GRUETTER,H.WALDMANN,D.RAUH . 337 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 64.4 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 . 42 12.5 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.1 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 1 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 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 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 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.4 24.6 5.8 4.6 2 5 A R - 0 0 99 1,-0.1 88,-0.0 88,-0.0 2,-0.0 -0.242 360.0-132.4 -60.5 127.8 24.3 3.1 7.3 3 6 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.243 24.5 -95.4 -78.0 170.0 24.1 4.5 10.9 4 7 A T - 0 0 111 1,-0.0 15,-2.0 -2,-0.0 16,-0.3 -0.733 39.4-155.7 -89.8 131.6 26.1 3.3 13.9 5 8 A F E -A 18 0A 28 -2,-0.4 2,-0.3 13,-0.3 14,-0.1 -0.558 3.3-153.9 -99.5 161.3 24.5 0.8 16.1 6 9 A Y E -A 17 0A 58 11,-2.9 11,-1.6 -2,-0.2 2,-0.3 -0.994 11.6-135.0-136.8 147.6 25.1 0.0 19.7 7 10 A R E +A 16 0A 148 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.706 29.5 152.8 -99.3 145.9 24.5 -3.2 21.6 8 11 A Q E -A 15 0A 58 7,-2.0 7,-3.6 -2,-0.3 2,-0.7 -0.965 39.2-118.7-157.1 165.8 22.9 -3.8 25.0 9 12 A E E -A 14 0A 138 -2,-0.3 2,-0.7 5,-0.3 5,-0.3 -0.919 22.8-168.7-111.6 110.6 21.0 -6.5 26.8 10 13 A L E > -A 13 0A 23 3,-1.8 3,-1.0 -2,-0.7 2,-0.1 -0.877 59.3 -58.1-101.1 112.3 17.5 -5.6 27.9 11 14 A N T 3 S- 0 0 143 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.343 123.3 -7.0 52.6-125.7 16.2 -8.3 30.3 12 15 A K T 3 S+ 0 0 87 -2,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.056 127.4 67.5 -87.5 26.5 16.2 -11.7 28.6 13 16 A T E < S-A 10 0A 36 -3,-1.0 -3,-1.8 2,-0.0 2,-0.3 -0.999 73.9-123.0-148.3 144.8 17.2 -10.3 25.2 14 17 A I E -A 9 0A 66 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.3 -0.675 28.2-160.9 -75.8 139.7 20.1 -8.6 23.2 15 18 A W E -A 8 0A 1 -7,-3.6 -7,-2.0 -2,-0.3 2,-0.5 -0.995 11.9-177.0-122.4 132.5 19.1 -5.3 21.6 16 19 A E E +A 7 0A 41 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.856 22.0 156.2-129.6 97.6 21.1 -3.7 18.7 17 20 A V E -A 6 0A 0 -11,-1.6 -11,-2.9 -2,-0.5 -2,-0.0 -0.740 45.3 -88.0-119.2 162.1 19.7 -0.3 17.7 18 21 A P E > -A 5 0A 4 0, 0.0 3,-1.6 0, 0.0 -13,-0.3 -0.260 38.3-114.4 -62.5 158.8 21.0 2.9 16.0 19 22 A E T 3 S+ 0 0 48 -15,-2.0 21,-0.1 1,-0.3 -14,-0.1 0.783 109.9 80.1 -70.2 -27.9 22.6 5.6 18.2 20 23 A R T 3 S+ 0 0 60 -16,-0.3 20,-3.0 19,-0.1 2,-0.5 0.742 87.2 63.7 -42.1 -33.2 19.7 7.7 17.2 21 24 A Y E < S+B 39 0B 0 -3,-1.6 2,-0.3 18,-0.2 18,-0.2 -0.898 71.8 174.9-110.2 128.2 17.6 5.9 19.9 22 25 A Q E +B 38 0B 70 16,-2.9 16,-3.0 -2,-0.5 -2,-0.0 -0.791 45.5 31.0-131.4 165.6 18.7 6.3 23.5 23 26 A N E S- 0 0 114 -2,-0.3 -1,-0.2 14,-0.2 2,-0.1 0.889 70.9-158.5 54.5 49.0 17.7 5.4 27.1 24 27 A L E + 0 0 16 -3,-0.2 13,-0.2 13,-0.1 -1,-0.2 -0.347 14.7 179.0 -60.3 132.8 16.0 2.1 26.2 25 28 A S E -B 36 0B 54 11,-2.3 11,-3.3 -2,-0.1 -15,-0.0 -0.972 29.2-116.0-144.0 118.8 13.6 1.0 28.9 26 29 A P E +B 35 0B 76 0, 0.0 9,-0.3 0, 0.0 3,-0.1 -0.195 32.2 171.4 -54.9 143.7 11.4 -2.2 28.8 27 30 A V E - 0 0 84 7,-2.5 2,-0.3 1,-0.5 8,-0.2 0.457 55.5 -45.5-130.7 -7.3 7.6 -1.7 28.6 28 31 A G E B 34 0B 41 6,-0.8 6,-1.6 1,-0.1 -1,-0.5 -0.961 360.0 360.0 160.0-175.0 6.0 -5.1 28.0 29 32 A S 0 0 140 -2,-0.3 3,-0.5 4,-0.2 -1,-0.1 0.316 360.0 360.0-154.0 360.0 6.1 -8.3 26.0 30 ! 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 31 35 A Y 0 0 85 0, 0.0 21,-1.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -26.0 5.3 -11.6 18.8 32 36 A G E - C 0 51B 13 -3,-0.5 2,-0.3 19,-0.3 19,-0.2 -0.696 360.0 -81.0 139.4 170.5 8.3 -9.9 20.4 33 37 A S E - C 0 50B 23 17,-1.2 17,-2.4 -2,-0.2 2,-0.4 -0.751 34.2-139.2-111.4 161.7 9.2 -7.4 23.2 34 38 A V E -BC 28 49B 38 -6,-1.6 -7,-2.5 -2,-0.3 -6,-0.8 -0.945 10.0-165.5-127.9 130.6 9.0 -3.6 23.3 35 39 A C E -BC 26 48B 1 13,-3.1 13,-3.1 -2,-0.4 2,-0.3 -0.935 20.2-132.2-112.3 139.6 11.2 -0.8 24.7 36 40 A A E +BC 25 47B 1 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.3 -0.676 39.7 172.8 -72.8 135.7 10.5 2.9 25.4 37 41 A A E - C 0 46B 0 9,-2.4 9,-2.3 -2,-0.3 2,-0.5 -0.946 34.8-116.4-141.0 165.7 13.2 5.0 23.9 38 42 A F E -BC 22 45B 79 -16,-3.0 -16,-2.9 -2,-0.3 2,-0.7 -0.912 25.9-144.7-101.7 134.8 14.2 8.6 23.3 39 43 A D E >> -B 21 0B 2 5,-2.3 4,-2.7 -2,-0.5 3,-0.6 -0.876 8.9-166.0-105.9 110.2 14.6 9.5 19.7 40 44 A T T 34 S+ 0 0 83 -20,-3.0 -1,-0.1 -2,-0.7 -19,-0.1 0.716 83.3 61.9 -69.7 -23.2 17.3 12.1 19.1 41 45 A K T 34 S+ 0 0 129 -21,-0.3 -1,-0.2 1,-0.1 -20,-0.1 0.844 125.8 11.4 -72.2 -33.3 16.3 12.9 15.5 42 46 A T T <4 S- 0 0 46 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.550 93.7-124.6-119.8 -18.1 12.8 14.2 16.5 43 47 A G < + 0 0 39 -4,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.647 67.6 128.7 74.9 17.0 13.0 14.5 20.3 44 48 A L - 0 0 77 -5,-0.5 -5,-2.3 1,-0.0 2,-0.4 -0.630 65.1-110.7-100.8 160.0 9.9 12.3 20.7 45 49 A R E -C 38 0B 120 -2,-0.2 59,-1.3 -7,-0.2 2,-0.3 -0.730 44.3-176.6 -82.5 140.3 9.4 9.3 22.9 46 50 A V E -CD 37 103B 0 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.5 -0.883 27.0-125.1-133.6 161.2 9.0 6.2 20.8 47 51 A A E -CD 36 102B 14 55,-3.2 55,-2.3 -2,-0.3 2,-0.5 -0.957 20.7-161.8-105.1 131.9 8.3 2.4 21.2 48 52 A V E -CD 35 101B 0 -13,-3.1 -13,-3.1 -2,-0.5 2,-0.6 -0.977 5.5-164.9-111.9 122.0 10.9 0.1 19.6 49 53 A K E -CD 34 100B 37 51,-2.9 51,-2.9 -2,-0.5 2,-0.6 -0.951 6.4-159.3-111.2 119.1 9.6 -3.4 19.1 50 54 A K E -CD 33 99B 32 -17,-2.4 -17,-1.2 -2,-0.6 49,-0.2 -0.873 24.8-129.3 -89.7 118.0 12.2 -6.2 18.5 51 55 A L E -C 32 0B 9 47,-2.7 2,-0.7 -2,-0.6 47,-0.3 -0.419 19.0-119.6 -70.5 142.9 10.3 -9.1 16.8 52 56 A S S S- 0 0 56 -21,-1.2 -1,-0.1 1,-0.2 45,-0.0 -0.770 80.4 -29.2 -85.9 118.0 10.9 -12.5 18.3 53 57 A R S > S- 0 0 166 -2,-0.7 3,-1.5 1,-0.1 -1,-0.2 0.904 75.2-174.0 44.8 57.7 12.5 -15.1 15.9 54 58 A P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.740 76.0 31.5 -60.2 -23.8 10.9 -13.3 12.9 55 59 A F T 3 S+ 0 0 15 41,-0.3 -2,-0.1 1,-0.1 268,-0.1 0.037 78.4 112.1-125.3 27.1 12.0 -16.0 10.4 56 60 A Q S < S+ 0 0 106 -3,-1.5 2,-0.3 1,-0.0 -1,-0.1 0.677 87.5 9.7 -72.4 -18.4 12.1 -19.3 12.3 57 61 A S S > S- 0 0 38 -4,-0.2 4,-2.8 -3,-0.2 5,-0.2 -0.939 80.6 -99.8-151.1 169.6 9.1 -20.7 10.3 58 62 A I H > S+ 0 0 77 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.917 123.8 50.6 -56.8 -44.5 6.9 -20.1 7.3 59 63 A I H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 113.0 43.3 -67.1 -42.3 4.3 -18.8 9.6 60 64 A H H > S+ 0 0 25 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.908 113.7 52.2 -65.3 -45.3 6.6 -16.4 11.4 61 65 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.942 113.4 42.1 -60.5 -51.8 8.2 -15.3 8.2 62 66 A K H X S+ 0 0 32 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.834 114.4 53.1 -60.7 -37.7 4.9 -14.4 6.5 63 67 A R H X S+ 0 0 90 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.876 108.4 49.4 -66.7 -41.3 3.6 -12.8 9.8 64 68 A T H X S+ 0 0 5 -4,-2.6 4,-2.3 -10,-0.4 -2,-0.2 0.941 113.4 46.9 -58.9 -50.2 6.7 -10.6 10.0 65 69 A Y H X S+ 0 0 14 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.920 112.5 50.9 -56.9 -46.5 6.1 -9.6 6.3 66 70 A R H X S+ 0 0 65 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.904 111.1 45.7 -60.1 -49.7 2.4 -9.0 7.0 67 71 A E H X S+ 0 0 39 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.920 114.0 48.9 -66.7 -41.1 2.9 -6.7 10.0 68 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.938 112.6 48.0 -61.6 -47.7 5.6 -4.7 8.2 69 73 A R H X S+ 0 0 33 -4,-2.8 4,-1.1 -5,-0.2 -2,-0.2 0.924 113.8 47.9 -55.6 -45.5 3.4 -4.3 5.1 70 74 A L H >X S+ 0 0 9 -4,-2.5 4,-1.3 -5,-0.2 3,-0.5 0.947 113.4 45.9 -63.1 -50.8 0.5 -3.3 7.3 71 75 A L H 3< S+ 0 0 12 -4,-2.6 11,-1.1 1,-0.2 3,-0.3 0.885 109.9 54.2 -60.5 -41.9 2.4 -0.7 9.4 72 76 A K H 3< S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.774 109.2 51.2 -62.4 -25.6 4.1 0.8 6.3 73 77 A H H << S+ 0 0 33 -4,-1.1 2,-0.5 -3,-0.5 233,-0.2 0.821 84.9 96.1 -82.3 -31.9 0.7 1.4 4.8 74 78 A M < + 0 0 6 -4,-1.3 8,-0.4 -3,-0.3 2,-0.2 -0.482 36.0 159.2 -75.3 114.7 -1.1 3.2 7.7 75 79 A K + 0 0 151 -2,-0.5 2,-0.3 6,-0.1 -1,-0.1 -0.660 34.0 107.0-132.3 78.5 -1.0 6.9 7.4 76 80 A H B > S-F 79 0C 14 3,-0.5 3,-1.7 -2,-0.2 57,-0.0 -0.992 70.6-119.2-155.3 148.4 -3.8 8.3 9.5 77 81 A E T 3 S+ 0 0 106 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.758 112.9 45.4 -63.8 -29.9 -4.1 10.2 12.8 78 82 A N T 3 S+ 0 0 6 83,-0.1 84,-1.8 54,-0.1 2,-0.4 0.124 104.4 70.3-103.6 21.0 -6.2 7.5 14.5 79 83 A V B < S-Fg 76 162C 1 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -1.000 88.0-108.5-135.7 133.4 -4.1 4.5 13.4 80 84 A I - 0 0 20 82,-2.7 2,-0.3 -2,-0.4 -6,-0.1 -0.312 42.4-166.4 -57.1 136.4 -0.6 3.6 14.6 81 85 A G - 0 0 20 -4,-0.1 2,-0.7 -6,-0.1 22,-0.4 -0.839 25.7 -93.7-125.9 169.1 2.0 4.2 11.9 82 86 A L + 0 0 11 -11,-1.1 20,-0.2 -8,-0.4 3,-0.1 -0.712 31.7 174.4 -86.9 110.6 5.7 3.3 11.2 83 87 A L S S- 0 0 26 18,-2.6 2,-0.3 -2,-0.7 19,-0.2 0.860 73.4 -18.4 -73.1 -40.8 8.2 5.9 12.4 84 88 A D E -E 101 0B 20 17,-1.5 17,-3.4 251,-0.1 2,-0.3 -0.981 51.5-163.4-161.0 157.2 11.2 3.6 11.5 85 89 A V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.977 25.6 158.9-143.5 140.2 12.1 0.1 10.8 86 90 A F E -E 99 0B 15 13,-1.9 13,-2.0 -2,-0.3 -2,-0.0 -0.988 26.0-152.9-154.9 160.3 15.7 -1.2 10.8 87 91 A T - 0 0 14 -2,-0.3 11,-0.1 2,-0.2 8,-0.1 -0.991 23.6-134.9-132.0 150.0 17.9 -4.2 11.2 88 92 A P S S+ 0 0 9 0, 0.0 2,-0.1 0, 0.0 -83,-0.1 0.651 76.6 109.3 -70.0 -12.4 21.5 -4.5 12.4 89 93 A A - 0 0 10 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.343 56.3-159.6 -68.3 142.0 22.3 -6.7 9.4 90 94 A R S S+ 0 0 159 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.697 74.1 22.4 -94.2 -17.0 24.4 -5.4 6.6 91 95 A S S > S- 0 0 37 1,-0.1 4,-1.3 0, 0.0 3,-0.2 -0.930 81.8-104.9-143.8 161.5 23.2 -7.8 3.9 92 96 A L T >4 S+ 0 0 52 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.911 121.8 54.0 -52.1 -43.7 20.3 -10.1 3.0 93 97 A E T 34 S+ 0 0 157 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.864 111.7 43.9 -63.8 -35.6 22.4 -13.1 4.0 94 98 A E T 34 S+ 0 0 92 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.2 0.685 86.8 122.2 -75.1 -21.0 23.1 -11.5 7.4 95 99 A F << + 0 0 0 -4,-1.3 3,-0.1 -3,-0.6 232,-0.1 -0.235 19.8 123.3 -62.4 112.8 19.4 -10.5 7.9 96 100 A N + 0 0 88 1,-0.2 2,-0.4 -2,-0.2 -41,-0.3 0.536 53.3 63.1-141.9 -21.4 17.9 -11.9 11.0 97 101 A D - 0 0 58 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.921 53.6-166.7-117.9 138.6 16.5 -9.3 13.4 98 102 A V - 0 0 1 -2,-0.4 -47,-2.7 -47,-0.3 2,-0.4 -0.997 4.0-173.5-125.3 129.5 13.6 -6.9 12.7 99 103 A Y E -DE 50 86B 2 -13,-2.0 -13,-1.9 -2,-0.4 2,-0.4 -0.977 7.2-158.1-118.9 137.3 12.9 -3.8 14.9 100 104 A L E -DE 49 85B 5 -51,-2.9 -51,-2.9 -2,-0.4 2,-0.5 -0.928 3.6-154.3-117.2 137.6 9.9 -1.6 14.4 101 105 A V E +DE 48 84B 0 -17,-3.4 -18,-2.6 -2,-0.4 -17,-1.5 -0.947 22.5 155.4-119.0 126.8 9.6 2.0 15.6 102 106 A T E -D 47 0B 27 -55,-2.3 -55,-3.2 -2,-0.5 -20,-0.1 -0.868 49.0 -77.9-135.6 167.5 6.3 3.8 16.5 103 107 A H E -D 46 0B 75 -22,-0.4 2,-0.7 -2,-0.3 -57,-0.2 -0.310 46.6-122.1 -61.8 150.9 5.1 6.7 18.7 104 108 A L - 0 0 54 -59,-1.3 2,-0.3 -67,-0.1 -59,-0.2 -0.906 27.3-159.1 -97.6 117.6 4.8 5.9 22.3 105 109 A M - 0 0 38 -2,-0.7 50,-0.2 1,-0.1 49,-0.0 -0.731 20.4-121.8 -97.6 152.1 1.3 6.5 23.6 106 110 A G S S- 0 0 67 -2,-0.3 2,-0.3 1,-0.1 49,-0.2 0.918 74.9 -23.3 -56.0 -53.1 0.6 6.9 27.3 107 111 A A E -H 154 0C 34 47,-2.2 47,-3.1 -3,-0.0 2,-0.3 -0.861 60.1-107.8-154.8 171.4 -1.9 4.2 28.0 108 112 A D E >> -H 153 0C 41 45,-0.3 3,-1.6 -2,-0.3 4,-1.3 -0.747 36.3-107.4-111.4 167.1 -4.5 1.9 26.5 109 113 A L H 3> S+ 0 0 0 43,-1.7 4,-2.6 40,-1.4 5,-0.4 0.809 115.8 71.6 -67.1 -31.6 -8.3 2.1 26.9 110 114 A N H 3> S+ 0 0 20 39,-0.6 4,-1.8 42,-0.2 -1,-0.3 0.877 104.0 43.8 -41.2 -43.6 -8.1 -1.0 29.2 111 115 A N H <> S+ 0 0 77 -3,-1.6 4,-1.9 2,-0.2 5,-0.3 0.960 111.3 47.8 -72.7 -56.3 -6.5 1.4 31.7 112 116 A I H X S+ 0 0 54 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.816 121.9 38.3 -60.7 -32.3 -8.7 4.5 31.4 113 117 A V H < S+ 0 0 7 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.870 112.1 54.4 -82.5 -41.5 -11.8 2.3 31.7 114 118 A K H < S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.4 -3,-0.2 0.756 113.7 42.3 -73.2 -24.6 -10.7 -0.2 34.3 115 119 A C H < S- 0 0 102 -4,-1.9 2,-0.2 1,-0.1 -1,-0.2 0.832 128.2 -3.7 -83.3 -37.6 -9.7 2.5 36.8 116 120 A Q < - 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0 0 36 -2,-0.4 -9,-0.1 1,-0.2 -33,-0.0 -0.376 31.9-147.5 -53.1 120.5 -17.6 -5.9 30.1 207 222 A L S S+ 0 0 36 -11,-0.4 -1,-0.2 1,-0.2 -34,-0.1 0.918 88.6 18.2 -61.3 -49.2 -20.7 -6.3 28.1 208 223 A F + 0 0 5 -36,-0.3 2,-1.9 2,-0.1 -1,-0.2 -0.631 69.1 174.8-126.7 77.5 -20.3 -10.0 27.2 209 224 A P + 0 0 63 0, 0.0 -37,-0.1 0, 0.0 7,-0.1 -0.294 18.5 177.9 -80.0 57.4 -17.8 -11.6 29.6 210 225 A G - 0 0 1 -2,-1.9 -38,-0.1 1,-0.1 -41,-0.1 -0.145 31.7-145.0 -61.9 153.7 -18.1 -15.2 28.4 211 226 A T S S- 0 0 96 1,-0.2 2,-0.3 -40,-0.1 -1,-0.1 0.658 80.7 -11.6 -93.1 -17.9 -16.0 -17.9 29.9 212 227 A D S > S- 0 0 72 -41,-0.1 4,-2.8 0, 0.0 -1,-0.2 -0.913 89.7 -73.2-163.2-174.6 -15.7 -19.7 26.6 213 228 A H H > S+ 0 0 101 -2,-0.3 4,-1.4 2,-0.2 -3,-0.1 0.729 126.9 45.3 -66.3 -28.5 -17.2 -19.7 23.1 214 229 A I H > S+ 0 0 90 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.918 116.4 43.9 -77.5 -53.7 -20.5 -21.3 24.1 215 230 A D H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 111.3 57.3 -54.9 -42.3 -21.1 -19.0 27.1 216 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.935 109.2 44.3 -59.0 -50.1 -19.9 -16.1 24.9 217 232 A L H X S+ 0 0 7 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.890 110.7 54.9 -55.8 -46.0 -22.7 -16.8 22.4 218 233 A K H X S+ 0 0 98 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 109.2 47.1 -57.4 -44.9 -25.3 -17.3 25.2 219 234 A L H X S+ 0 0 44 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.905 113.5 49.3 -65.9 -39.5 -24.5 -13.9 26.7 220 235 A I H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-1.0 0.950 110.9 47.0 -65.1 -49.2 -24.7 -12.3 23.2 221 236 A L H 3X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.856 103.1 65.3 -66.8 -32.6 -28.0 -13.8 22.2 222 237 A R H 3< S+ 0 0 136 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.829 113.0 32.4 -56.8 -34.4 -29.5 -12.9 25.5 223 238 A L H << S+ 0 0 10 -3,-1.0 30,-2.6 -4,-0.9 -2,-0.2 0.894 130.7 32.5 -87.0 -45.6 -29.1 -9.2 24.6 224 239 A V H < S- 0 0 10 -4,-2.6 28,-0.2 28,-0.2 52,-0.2 0.511 109.1-123.7 -93.4 -6.2 -29.6 -9.3 20.9 225 240 A G < - 0 0 2 -4,-2.8 -1,-0.1 26,-0.4 -3,-0.1 0.156 36.7 -57.9 82.5 158.0 -32.1 -12.2 20.8 226 241 A T S S- 0 0 37 24,-3.1 26,-0.1 1,-0.1 50,-0.1 -0.379 73.4 -80.7 -69.5 151.2 -32.0 -15.5 18.9 227 242 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.220 45.7-133.7 -55.5 138.3 -31.6 -15.3 15.1 228 243 A G > - 0 0 45 -3,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.237 31.9 -94.0 -78.2 178.3 -34.9 -14.7 13.2 229 244 A A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.831 123.4 58.3 -61.4 -37.3 -35.9 -16.6 10.1 230 245 A E H 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.841 112.5 39.3 -67.0 -35.9 -34.3 -14.0 7.7 231 246 A L H >4 S+ 0 0 31 -3,-0.2 3,-2.0 1,-0.1 4,-0.2 0.917 111.9 57.7 -74.3 -46.0 -30.9 -14.5 9.3 232 247 A L H >< S+ 0 0 30 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.792 100.2 57.2 -55.7 -33.5 -31.3 -18.3 9.7 233 248 A K T 3< S+ 0 0 177 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.529 101.1 58.0 -82.2 -2.9 -31.9 -18.7 5.9 234 249 A K T < S+ 0 0 87 -3,-2.0 2,-0.7 -5,-0.1 -1,-0.2 0.364 82.0 103.3 -98.3 0.4 -28.5 -17.1 5.2 235 250 A I < - 0 0 35 -3,-1.2 6,-0.1 -4,-0.2 -3,-0.0 -0.781 49.6-172.2 -95.3 109.4 -26.6 -19.6 7.2 236 251 A S + 0 0 98 -2,-0.7 2,-0.5 4,-0.0 -1,-0.1 0.758 59.3 86.1 -73.7 -30.8 -24.8 -22.2 5.0 237 252 A S > - 0 0 49 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.640 61.0-157.5 -82.2 122.3 -23.6 -24.6 7.7 238 253 A E H > S+ 0 0 129 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.924 93.1 47.0 -62.7 -46.3 -26.0 -27.2 8.8 239 254 A S H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 113.8 48.8 -67.8 -37.5 -24.5 -27.9 12.2 240 255 A A H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.934 112.1 48.5 -58.8 -50.6 -24.3 -24.2 13.0 241 256 A R H X S+ 0 0 65 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 113.6 48.1 -58.6 -41.7 -27.9 -23.6 11.9 242 257 A N H X S+ 0 0 63 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.855 108.8 54.5 -72.7 -32.4 -29.0 -26.6 14.1 243 258 A Y H >< S+ 0 0 76 -4,-2.5 3,-1.0 2,-0.2 4,-0.4 0.995 114.3 37.0 -58.2 -66.1 -27.0 -25.3 17.0 244 259 A I H >< S+ 0 0 8 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.866 118.0 52.8 -58.2 -37.0 -28.6 -21.8 17.2 245 260 A Q H 3< S+ 0 0 110 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.725 104.5 55.3 -69.0 -23.9 -32.0 -23.3 16.2 246 261 A S T << S+ 0 0 104 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.469 94.6 101.5 -85.1 0.6 -31.8 -25.8 19.0 247 262 A L S < S- 0 0 50 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.0 -0.239 90.2 -85.5 -85.3 169.8 -31.3 -23.0 21.5 248 263 A T - 0 0 85 1,-0.1 2,-0.7 -2,-0.0 -1,-0.1 -0.667 50.5-115.7 -74.6 114.4 -33.8 -21.3 23.8 249 264 A Q - 0 0 84 -2,-0.6 -1,-0.1 -4,-0.1 -4,-0.0 -0.392 38.3-169.7 -61.8 101.6 -35.5 -18.7 21.8 250 265 A M - 0 0 64 -2,-0.7 -24,-3.1 -23,-0.0 2,-0.2 -0.807 16.4-129.4 -94.4 134.2 -34.4 -15.4 23.5 251 266 A P - 0 0 103 0, 0.0 -26,-0.4 0, 0.0 2,-0.0 -0.577 32.1 -94.0 -81.8 147.8 -36.2 -12.2 22.4 252 267 A K - 0 0 113 -28,-0.2 -28,-0.2 -2,-0.2 2,-0.2 -0.372 45.1-128.3 -56.5 131.5 -34.3 -9.1 21.4 253 268 A M - 0 0 71 -30,-2.6 2,-0.8 1,-0.1 3,-0.1 -0.497 16.2-112.9 -79.6 152.4 -33.9 -6.8 24.4 254 269 A N >> - 0 0 93 1,-0.2 3,-1.9 -2,-0.2 4,-0.7 -0.823 25.6-152.8 -82.6 111.6 -34.8 -3.2 24.3 255 270 A F H >> S+ 0 0 0 -2,-0.8 4,-3.3 1,-0.3 3,-1.3 0.863 90.0 67.5 -56.9 -40.3 -31.4 -1.5 24.7 256 271 A A H 34 S+ 0 0 50 1,-0.3 5,-0.3 2,-0.2 -1,-0.3 0.643 103.9 47.9 -55.6 -14.9 -32.9 1.6 26.3 257 272 A N H <4 S+ 0 0 116 -3,-1.9 3,-0.3 3,-0.1 -1,-0.3 0.606 113.6 43.8-100.2 -20.2 -33.7 -0.7 29.2 258 273 A V H << S+ 0 0 64 -3,-1.3 -2,-0.2 -4,-0.7 2,-0.2 0.824 119.0 42.9 -88.6 -34.4 -30.3 -2.3 29.5 259 274 A F S >< S- 0 0 10 -4,-3.3 3,-2.2 3,-0.1 -1,-0.2 -0.268 89.5-172.6-103.7 45.3 -28.4 1.0 29.1 260 275 A I T 3 + 0 0 135 -3,-0.3 -3,-0.1 1,-0.3 3,-0.1 -0.097 64.6 4.2 -49.8 122.6 -30.7 2.9 31.4 261 276 A G T 3 S+ 0 0 85 -5,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.370 91.9 133.8 86.4 -4.6 -30.0 6.6 31.5 262 277 A A S < S- 0 0 29 -3,-2.2 -1,-0.3 1,-0.2 5,-0.1 -0.362 77.4 -76.1 -69.7 157.6 -27.4 6.7 28.8 263 278 A N >> - 0 0 46 1,-0.2 3,-1.9 -3,-0.1 4,-1.9 -0.373 44.4-134.1 -50.0 123.8 -27.6 9.4 26.2 264 279 A P H 3> S+ 0 0 100 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.766 105.9 60.4 -64.6 -22.4 -30.4 8.1 24.0 265 280 A L H 3> S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.773 106.3 48.7 -64.6 -27.1 -28.4 8.9 20.9 266 281 A A H <> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.879 109.2 50.8 -79.6 -43.1 -25.7 6.4 22.3 267 282 A V H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.934 111.8 49.6 -55.6 -44.9 -28.3 3.8 23.0 268 283 A D H X S+ 0 0 60 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.882 109.8 48.3 -66.1 -41.1 -29.5 4.2 19.4 269 284 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-0.2 0.916 110.6 53.7 -63.3 -43.6 -25.9 3.9 17.9 270 285 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.828 105.1 53.6 -58.1 -36.8 -25.4 0.8 20.1 271 286 A E H < S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 110.3 48.3 -62.0 -36.8 -28.6 -0.7 18.6 272 287 A K H < S+ 0 0 85 -4,-1.4 10,-2.4 -3,-0.2 3,-0.3 0.751 116.0 41.5 -81.4 -23.6 -27.1 -0.1 15.2 273 288 A M H < S+ 0 0 0 -4,-1.5 -2,-0.2 8,-0.2 -78,-0.2 0.762 110.7 55.0 -87.2 -36.4 -23.7 -1.6 15.9 274 289 A L S < S+ 0 0 1 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 -0.149 71.4 141.5 -96.9 38.5 -24.8 -4.6 17.9 275 290 A V - 0 0 40 -3,-0.3 6,-0.1 1,-0.1 -3,-0.1 -0.664 50.4-139.6 -77.0 132.1 -27.2 -6.1 15.3 276 291 A L S S+ 0 0 28 -2,-0.4 2,-0.5 -52,-0.2 -99,-0.2 0.951 88.1 69.3 -58.4 -52.0 -26.9 -9.8 15.3 277 292 A D S > S- 0 0 19 1,-0.2 3,-1.6 -3,-0.1 4,-0.4 -0.568 74.9-152.0 -72.7 118.0 -27.1 -10.1 11.4 278 293 A S G > S+ 0 0 8 -2,-0.5 3,-1.0 1,-0.3 -1,-0.2 0.803 91.0 66.0 -67.5 -28.7 -23.9 -8.7 10.1 279 294 A D G 3 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.731 106.3 42.8 -56.9 -26.4 -25.6 -7.7 6.8 280 295 A K G < S+ 0 0 148 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.453 87.7 114.4-104.1 -3.2 -27.7 -5.1 8.7 281 296 A R S < S- 0 0 7 -3,-1.0 -8,-0.2 -4,-0.4 -9,-0.1 -0.430 74.9-104.0 -75.1 140.6 -25.0 -3.8 11.0 282 297 A I - 0 0 16 -10,-2.4 2,-0.2 -13,-0.2 -1,-0.1 -0.314 34.4-129.7 -61.6 146.9 -24.0 -0.1 10.6 283 298 A T > - 0 0 53 1,-0.1 4,-2.5 -92,-0.1 5,-0.2 -0.509 23.2-107.1 -90.3 166.8 -20.6 0.5 8.8 284 299 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -149,-0.2 0.930 120.3 50.1 -59.0 -50.3 -17.9 2.8 10.1 285 300 A A H > S+ 0 0 49 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.945 113.7 45.8 -50.3 -53.6 -18.6 5.5 7.4 286 301 A Q H >4 S+ 0 0 115 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.878 109.2 55.0 -58.8 -42.2 -22.3 5.4 8.3 287 302 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.864 100.3 60.4 -62.7 -35.8 -21.7 5.5 12.0 288 303 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.806 103.0 51.2 -61.0 -33.2 -19.6 8.7 11.7 289 304 A A T << S+ 0 0 67 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.369 87.1 121.1 -86.3 3.9 -22.6 10.6 10.3 290 305 A H S X S- 0 0 24 -3,-1.6 3,-2.5 -4,-0.2 7,-0.2 -0.454 77.0-115.1 -72.1 142.5 -24.8 9.4 13.2 291 306 A A G > S+ 0 0 52 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.762 109.2 70.5 -43.1 -41.0 -26.4 12.0 15.4 292 307 A Y G 3 S+ 0 0 4 -27,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.681 98.5 49.5 -56.2 -22.1 -24.3 11.0 18.4 293 308 A F G X> S+ 0 0 0 -3,-2.5 3,-2.6 -6,-0.2 4,-2.5 0.169 72.3 130.3-106.9 18.0 -21.2 12.4 16.9 294 309 A A T <4 S+ 0 0 86 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.802 71.5 48.0 -33.0 -50.1 -22.8 15.8 16.0 295 310 A Q T 34 S+ 0 0 117 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.520 122.1 30.5 -82.3 -1.1 -19.9 17.8 17.6 296 311 A Y T <4 S+ 0 0 71 -3,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 0.694 85.3 108.1-124.5 -35.5 -17.0 16.0 15.9 297 312 A H < + 0 0 60 -4,-2.5 5,-0.1 -7,-0.2 -8,-0.1 -0.246 34.2 170.6 -58.1 129.5 -18.1 14.6 12.6 298 313 A D > - 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